NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4357 8.3149 121.7833 56.1545 33.5347 174.6780 3 I 4.4813 8.5475 126.5432 59.0670 40.5197 173.2705 4 D 5.1410 9.5918 128.1013 54.2548 42.3702 175.5806 5 I 4.3273 8.2397 122.2720 60.5118 41.1974 176.5497 6 L 3.7945 8.3650 124.5287 55.7751 40.3868 174.4332 7 D 4.7459 9.0441 117.1550 56.3700 40.1518 177.9532 8 K 4.5336 8.3381 114.7558 55.6701 35.0132 176.0569 9 G 4.0930 8.0117 108.4472 45.6208 0.0000 172.3730 10 F 5.3648 7.8393 112.8507 56.3872 41.7371 173.1740 11 V 5.0345 8.8482 118.9038 61.2473 34.6639 173.6862 12 E 4.9695 9.3171 128.1064 54.2018 33.1040 174.0055 13 L 4.3451 8.6471 128.7969 55.0010 42.2853 176.0128 14 V 3.9619 8.6313 126.9559 64.8958 32.6630 174.9921 15 D 4.5732 7.4975 117.2487 54.1796 44.6246 174.7695 16 V 4.6148 7.0270 118.6487 61.0846 33.1183 172.1742 *18 G 4.1315 8.5456 107.7458 46.6616 0.0000 169.8264 19 N 4.7354 7.8982 113.5941 51.0894 39.6490 173.7626 20 D 4.5545 8.8245 116.4192 58.4264 40.7256 178.7356 21 L 4.2590 8.0725 118.2611 57.0605 41.6019 179.5202 22 S 4.1413 8.6587 116.0250 61.1885 62.6133 176.3196 23 A 4.0560 7.9558 123.4020 54.7874 18.1214 179.8038 24 V 3.5061 7.7102 116.2537 66.3694 31.7790 178.2459 25 R 3.9476 8.1724 117.5678 59.2223 29.9893 179.0126 26 A 3.8402 7.8398 119.7878 55.1024 18.1685 179.5668 27 A 3.9306 8.0214 118.4177 54.9293 18.5252 179.2641 28 R 4.1447 7.9493 114.1486 55.4524 31.2524 176.3989 29 V 3.2995 7.4560 117.5855 63.7227 30.4500 172.6265 30 S 4.6390 8.2325 111.4376 56.6400 65.9451 173.6658 31 F 5.1404 8.8792 131.4748 57.5698 38.3164 173.4612 *32 D 4.4856 7.2469 121.2986 54.3148 44.1143 177.4881 *37 D 4.4415 7.6040 123.3949 53.0819 41.5139 175.2323 38 E 3.9984 8.6809 125.3585 59.1730 29.6823 177.9821 39 E 3.8265 8.1999 117.5846 59.7187 29.6403 179.5547 40 R 3.9411 8.0225 117.3691 59.2883 30.2105 178.7745 41 D 4.4230 8.6795 119.2201 57.3544 40.8539 178.8050 42 R 3.6075 7.8560 119.3381 59.3507 29.8323 178.0674 43 H 4.1294 8.0497 118.2888 59.0213 29.8645 177.0704 44 L 4.0127 8.2013 122.2891 58.0566 41.7121 178.7983 45 I 3.9477 7.6827 118.7597 64.8275 37.2569 177.9033 46 E 4.1835 8.0026 117.6515 59.4508 29.5463 178.5440 47 Y 4.0422 8.2333 119.8273 60.5772 38.8572 178.5503 48 L 3.9457 8.4755 116.1067 56.0148 41.3454 178.6711 *50 K 3.7324 7.9052 121.7458 56.2429 33.4888 176.0911 51 H 4.5773 7.7600 113.1385 55.1250 28.5638 175.4566 52 G 3.9242 8.0992 105.7792 46.6554 0.0000 174.7069 53 H 4.7205 8.0868 121.0888 55.0486 28.4412 174.4575 54 E 4.8421 8.4633 124.1915 57.1467 30.6984 178.6314 55 T 4.1195 8.1690 110.0570 64.5640 68.5884 174.2988 56 P 4.2047 0.0000 0.0000 65.2224 31.1458 177.9749 57 F 4.5142 7.8345 115.2536 59.1853 38.6825 176.7788 58 E 4.2293 8.1592 117.7844 58.1683 29.3198 176.7698 59 H 4.6661 7.7191 115.4890 55.5019 28.9821 174.4336 60 I 4.4949 7.5729 121.9393 59.4548 39.5879 174.8439 61 V 4.7951 8.0704 125.8242 61.0228 35.1265 173.9951 62 F 4.8750 9.1210 124.5492 55.8370 43.1683 174.2258 63 T 4.8388 8.3603 117.4771 61.9333 71.6218 173.2077 64 F 5.2315 9.6403 125.4367 55.7963 43.1821 174.0036 65 H 4.8436 9.2692 121.1870 54.4720 32.0750 172.6713 66 V 4.5459 8.5352 126.1122 60.5891 34.7002 174.0150 67 K 4.5977 7.9988 127.9951 54.5381 34.3686 174.5345 68 A 5.3913 8.6395 127.8526 50.0740 23.1856 173.7304 69 P 4.2767 0.0000 0.0000 62.1083 32.2103 177.9411 70 I 3.4871 8.6068 123.4884 64.6533 36.5550 178.9058 71 F 4.2089 8.2823 115.1879 59.5589 37.5653 177.7626 72 V 3.4849 6.5714 118.2577 65.4034 31.4309 177.5972 73 A 3.8747 7.7572 120.6859 55.1712 17.8944 179.6903 74 R 3.6283 7.7849 115.8431 59.4823 30.4059 179.0715 75 Q 4.1396 7.5828 118.1088 58.5950 28.8265 178.3884 76 W 4.2540 8.2896 129.4418 60.5894 30.6255 177.5609 77 F 3.6324 8.7736 114.9425 58.7314 38.2947 177.0609 78 R 4.3925 7.8124 117.4064 57.5128 30.1839 176.2764 79 H 4.6453 8.0541 115.9416 54.9301 27.7433 175.3794 80 R 4.2640 8.5876 124.6638 58.5461 30.4745 178.1171 81 I 4.1195 7.5520 119.4985 58.2807 35.5404 173.7127 82 A 4.3343 7.0491 124.1151 51.6363 22.5560 175.5231 83 S 4.7350 8.2334 114.8240 57.0602 65.8647 173.5944 84 Y 5.3390 8.6328 121.0495 56.4454 41.4919 175.5056 85 N 4.8847 9.1715 119.4926 52.4670 42.2372 173.1631 86 E 5.3484 8.8036 124.6492 53.9979 32.2626 175.4306 87 L 4.1337 8.4559 124.6208 54.8191 42.4253 177.1863 88 S 4.2593 8.7175 118.5698 57.8290 62.4042 174.1446 89 G 3.7788 8.6620 117.9877 48.4192 0.0000 174.5670 90 R 4.1315 8.0927 120.3914 59.4896 30.4073 177.3874 *91 Y 4.5182 7.4563 117.6014 55.5347 38.2409 179.0756 *94 L 3.9829 7.8516 126.6367 55.1764 42.7567 178.6866 *95 S 4.5032 8.8566 114.8858 59.4617 59.5782 169.0291 96 Y 4.4922 8.2012 123.2581 55.4561 39.4891 175.2875 97 E 4.9339 8.0956 123.2930 54.4769 34.1115 174.9292 98 F 5.4271 8.8390 118.5963 55.9316 43.3854 173.9361 99 Y 5.0268 8.9149 123.5372 56.6112 39.1900 174.9732 100 I 4.1182 8.4925 128.7569 58.5034 38.3316 174.0905 101 P 4.0704 0.0000 0.0000 62.4758 31.9373 176.7944 102 S 4.5182 8.4161 116.4886 56.9463 64.4810 173.2286 103 P 4.3330 0.0000 0.0000 65.9006 30.7380 178.4367 104 E 4.1454 7.5242 116.7976 58.6764 29.4687 178.5495 105 R 3.6867 8.0267 118.8281 59.1010 30.4537 177.6767 106 L 4.5986 7.7119 116.7863 54.9445 43.0915 175.7095 107 E 4.2880 7.7748 120.7101 54.4071 26.7912 176.4919 108 G 4.8755 7.1539 121.9042 45.7046 0.0000 169.5636 109 Y 4.5846 8.0088 118.2733 55.6117 40.4169 175.3996 110 K 4.1637 8.7212 125.4035 56.2824 32.3265 176.0488 111 T 4.6934 8.2932 116.0398 60.1586 71.4282 173.8376 112 T 4.4355 8.3344 110.9521 61.4387 69.2798 174.4091 113 I 4.6830 7.1435 114.0536 58.4014 40.9043 173.0470 114 P 4.3131 0.0000 0.0000 62.4043 31.7272 175.5704 115 P 4.2861 0.0000 0.0000 66.2141 31.2068 178.7879 116 E 3.9841 8.1616 116.4639 59.3441 29.3669 179.4547 117 R 3.9569 8.4918 118.7439 58.8560 30.0743 179.1438 118 V 3.5009 7.4865 117.9682 66.2452 31.4722 177.9500 119 T 3.7744 7.8999 114.9644 66.8420 68.2214 175.8940 120 E 3.8879 8.0781 120.7770 59.0487 29.5281 178.8144 121 K 3.8827 8.4235 118.8606 59.7316 32.1904 179.3801 122 I 3.6545 8.2193 120.1900 64.3437 36.9759 178.4551 123 S 4.0441 8.2991 114.2476 61.3655 62.0837 175.7990 124 E 3.9047 8.4346 121.7837 59.5089 29.2067 179.2903 125 I 3.6269 7.5562 112.6518 64.1088 37.4316 178.1647 126 V 3.2091 7.5966 119.9299 65.6279 31.2143 177.5167 127 D 4.2863 7.8809 117.5515 57.3176 41.1157 178.3771 128 K 3.9469 8.2820 119.1178 59.3963 32.0286 179.2859 129 A 3.9896 8.6640 121.5126 55.2432 18.2395 179.0221 130 Y 4.1596 8.2166 118.3608 60.8613 38.8818 178.5074 131 R 3.7281 8.1806 118.9379 59.6039 30.2036 179.0152 132 T 3.8144 7.8371 115.4064 66.7905 68.3901 175.8367 133 Y 4.0225 8.0542 121.2155 60.7584 38.7289 178.2496 134 L 3.3878 7.6368 119.8604 57.5172 41.5542 178.7646 135 E 3.7719 8.4096 119.4467 59.4085 29.5339 178.5865 136 L 3.8582 8.1484 118.9832 58.0782 41.7648 179.5908 137 I 3.4468 7.4070 119.2516 64.5063 36.8171 177.9630 138 E 3.8744 7.8968 118.0942 59.8002 29.5017 179.4746 139 S 4.1966 7.9428 111.3274 59.6226 62.4441 174.7880 140 G 4.0103 8.1037 108.6063 45.1247 0.0000 173.9971 141 V 3.7007 7.4197 120.4825 61.6122 32.1525 174.5941 142 P 4.3591 0.0000 0.0000 62.8832 32.9166 177.6548 143 R 4.0850 8.7382 118.8429 59.4632 29.1421 178.9023 144 E 3.9987 8.2983 116.7887 58.4999 29.2904 178.2881 145 V 4.0526 7.5760 118.2370 64.8881 31.9249 177.4465 146 A 4.1676 8.3232 120.8687 54.8858 18.2265 179.5499 147 R 3.9429 8.6518 114.8407 58.5223 29.3607 178.4756 148 I 3.9319 7.3738 112.3323 62.8160 37.6769 177.3535 149 V 4.0384 7.2424 112.0660 60.9996 32.2685 176.1570 150 L 4.2754 7.3262 119.7855 53.6587 42.2169 175.3452 151 P 4.5545 0.0000 0.0000 62.4475 32.1636 177.1433 152 L 4.4077 8.4459 119.0549 56.6379 42.5031 177.9473 153 N 5.0956 8.3483 116.3023 52.8681 38.8454 174.6586 154 L 4.1489 7.9705 123.3423 55.6903 43.3075 175.4745 155 Y 4.7149 8.4372 124.2219 57.7952 38.9574 174.6389 156 T 4.7421 9.1477 117.6193 60.3131 71.7385 172.3800 157 R 5.2383 8.2807 121.4465 54.6196 34.6883 174.4275 158 F 5.5645 8.6402 115.4987 56.3446 42.0200 172.7353 159 F 5.2860 9.7315 119.2668 55.9788 41.3422 174.9564 160 W 5.3734 9.6868 132.7154 56.1451 33.6763 173.7772 161 T 4.9896 8.4992 124.7635 61.6696 70.3826 174.0303 162 V 4.4844 8.2571 125.5294 59.9554 35.1431 174.5600 163 N 5.0481 8.5453 119.9725 51.7014 38.7815 175.8001 164 A 3.8296 8.6563 121.2142 55.1864 18.3398 179.9032 165 R 3.9643 7.9713 115.9824 59.7725 30.6827 178.2710 166 S 4.3236 8.7608 113.3949 60.9518 62.2884 176.4348 167 L 3.9674 7.8309 122.2719 55.2255 41.7967 178.0889 *169 N 4.7108 8.1930 117.6930 53.1150 41.0691 175.9886 170 F 4.1021 8.4021 119.7754 61.3490 39.3614 177.2021 171 L 4.0539 8.3568 118.7319 57.6387 41.1807 179.0182 172 N 4.5420 8.4464 115.2775 56.6593 38.6431 176.8790 173 L 4.1338 7.6734 118.3835 57.3346 41.8433 178.9111 174 R 4.0501 8.1742 117.0391 56.3586 31.5952 176.7319 175 A 4.6064 7.8155 124.9687 49.9804 17.6182 175.6324 176 D 5.0649 7.2122 121.3085 51.9445 44.8390 176.1358 177 S 4.2572 9.5051 120.1810 61.1072 63.0684 175.2648 178 H 4.4417 8.1625 117.4312 57.5810 28.7953 175.5994 179 A 4.3604 7.6512 121.9763 50.8672 19.6189 177.4690 180 Q 4.2104 8.4456 120.1320 55.9575 31.0460 177.2173 181 W 4.2880 9.1264 135.0000 60.8848 30.2788 178.1182 182 E 3.6691 8.5203 117.7734 59.5304 28.9782 179.0772 183 I 3.9177 7.6974 117.6108 63.5720 38.0867 177.6221 184 Q 4.1049 7.6458 120.2880 58.4694 28.3621 178.7178 185 Q 3.6983 7.3558 118.4405 59.0379 28.6329 178.5226 186 Y 3.8709 7.5733 116.2976 60.9226 37.8363 178.3317 187 A 4.1590 8.2672 122.0003 55.0194 18.3709 179.7211 188 L 3.9275 7.9817 117.5661 57.8106 41.7070 179.5493 189 A 3.9899 7.8081 120.6269 55.1257 18.2507 179.6926 190 I 3.5465 8.1253 118.4061 64.4485 37.1482 178.4510 191 A 4.1746 8.3633 121.8547 55.1462 18.2530 179.4825 192 R 3.6593 8.0709 117.1400 59.7606 30.1421 178.8040 193 I 3.7726 7.7194 119.2994 64.2892 37.0408 178.1893 194 F 4.2843 8.4481 121.6990 61.2676 39.0009 177.0410 195 K 3.2388 7.9522 118.2447 59.3198 31.8806 178.2793 196 E 4.0289 7.9183 117.8477 59.1039 29.4294 178.8936 197 K 4.2972 7.9878 117.2353 57.4721 34.0954 177.0750 198 C 4.8281 8.1316 116.1025 56.2533 28.8320 172.4247 199 P 4.3212 0.0000 0.0000 65.9694 31.0264 178.7073 200 W 4.4238 8.2010 118.1249 59.8134 29.1758 178.3785 201 T 4.0070 8.7445 115.9979 66.6752 67.9131 176.3698 202 F 3.9516 8.1899 122.3781 61.4098 39.4390 177.0331 203 E 3.9383 8.6156 118.0276 59.3452 29.2206 179.2486 204 A 4.1510 8.4634 121.1565 54.9351 18.4460 179.2820 205 F 4.2597 8.6558 119.5292 61.7610 39.2668 177.4087 206 L 3.5937 7.3720 116.9301 57.4476 41.3672 179.2083 207 K 3.8508 7.6762 118.7563 58.6150 32.2176 177.5602 208 Y 4.7230 8.0627 113.6321 57.5548 39.8690 176.2669 209 A 4.5800 7.7979 119.4442 52.2907 21.3943 175.8786 210 Y 3.8456 7.7259 117.1072 58.3023 38.7683 176.2563 211 K 4.0265 9.6717 126.9552 56.4441 33.2167 176.9027 212 G 3.6830 5.6047 107.4432 44.0858 0.0000 172.0453 213 D 4.7031 7.7863 118.2102 55.1220 40.6494 178.1163 214 I 3.7185 7.8628 115.0060 63.7482 37.0052 177.6732 215 L 3.7906 8.2973 118.9993 56.6656 41.4206 178.7015 216 K 4.2937 8.1100 116.6714 57.1221 32.4109 177.8669 217 E 4.3769 7.7915 117.8520 57.3871 30.7476 176.6511 218 V 3.9262 7.7643 117.4312 62.3435 32.4488 174.7978 219 Q 4.3947 8.3434 124.5674 55.8679 30.3926 175.9606 220 V 3.6079 8.3898 115.8154 61.9824 31.8024 173.5961 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 8.31 4.44 0.00 1.60 1.67 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.18 7.81 3 I 8.55 4.48 1.90 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 1.24 0.71 0.90 0.00 0.00 4 D 9.59 5.14 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.33 1.17 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 -0.10 0.00 0.00 6 L 8.37 3.79 0.00 1.94 1.81 0.49 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.04 4.75 0.00 2.99 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 8 K 8.34 4.53 0.00 0.90 1.41 0.00 1.74 0.00 0.00 1.97 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.47 7.81 9 G 8.01 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 10 F 7.84 5.36 0.00 3.07 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 11 V 8.85 5.03 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 1.16 0.00 0.00 1.21 0.00 0.00 12 E 9.32 4.97 0.00 1.93 1.93 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 2.14 2.14 0.00 13 L 8.65 4.35 0.00 1.71 1.54 0.72 0.92 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 14 V 8.63 3.96 1.93 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 0.74 0.00 0.00 0.42 0.00 0.00 15 D 7.50 4.57 0.00 2.63 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 0.00 0.00 0.00 0.00 16 V 7.03 4.61 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 0.86 0.00 0.00 0.15 0.00 0.00 *18 G 8.55 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 0.00 0.00 0.00 19 N 7.90 4.74 0.00 2.74 2.80 0.00 0.00 5.95 8.07 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 20 D 8.82 4.55 0.00 2.25 2.95 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 21 L 8.07 4.26 0.00 1.88 1.74 0.92 1.04 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 22 S 8.66 4.14 0.00 3.95 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 23 A 7.96 4.06 1.14 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 0.00 0.00 24 V 7.71 3.51 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 1.15 0.00 0.00 1.08 0.00 0.00 25 R 8.17 3.95 0.00 1.91 2.19 0.00 3.32 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 26 A 7.84 3.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.02 3.93 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 28 R 7.95 4.14 0.00 1.81 1.99 0.00 3.33 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 29 V 7.46 3.30 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 0.68 0.00 0.00 0.97 0.00 0.00 30 S 8.23 4.64 0.00 3.84 3.68 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 31 F 8.88 5.14 0.00 2.84 2.95 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 *32 D 7.25 4.49 0.00 2.67 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 115 P 0.00 4.29 0.00 2.14 2.26 0.00 3.59 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 2.12 2.21 0.00 116 E 8.16 3.98 0.00 2.00 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 2.39 2.39 0.00 117 R 8.49 3.96 0.00 1.94 1.95 0.00 3.28 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 118 V 7.49 3.50 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 0.77 0.00 0.00 0.89 0.00 0.00 119 T 7.90 3.77 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 1.19 0.00 0.00 120 E 8.08 3.89 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 2.29 2.34 0.00 121 K 8.42 3.88 0.00 1.90 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.60 7.81 122 I 8.22 3.65 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.82 0.00 0.00 123 S 8.30 4.04 0.00 4.03 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 0.00 124 E 8.43 3.90 0.00 2.23 1.95 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 2.31 2.58 0.00 125 I 7.56 3.63 1.81 0.00 0.00 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 1.55 0.99 0.87 0.00 0.00 126 V 7.60 3.21 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 0.16 0.00 0.00 0.79 0.00 0.00 127 D 7.88 4.29 0.00 2.94 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 0.00 128 K 8.28 3.95 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 129 A 8.66 3.99 1.33 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 0.00 0.00 0.00 130 Y 8.22 4.16 0.00 2.98 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 0.00 131 R 8.18 3.73 0.00 2.12 1.92 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 132 T 7.84 3.81 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 133 Y 8.05 4.02 0.00 3.00 3.01 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 0.00 134 L 7.64 3.39 0.00 1.57 1.45 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.41 3.77 0.00 1.89 2.09 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 2.24 2.30 0.00 136 L 8.15 3.86 0.00 1.70 1.65 0.93 0.74 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 0.00 137 I 7.41 3.45 1.66 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.04 0.77 0.00 0.00 138 E 7.90 3.87 0.00 2.02 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 2.29 2.42 0.00 139 S 7.94 4.20 0.00 3.80 4.06 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 0.00 140 G 8.10 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 0.00 0.00 0.00 0.00 141 V 7.42 3.70 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 0.79 0.00 0.00 0.92 0.00 0.00 142 P 0.00 4.36 0.00 2.22 1.99 0.00 3.66 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 2.13 2.16 0.00 143 R 8.74 4.09 0.00 2.28 2.33 0.00 3.25 0.00 0.00 3.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 144 E 8.30 4.00 0.00 2.18 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 0.00 2.31 2.40 0.00 145 V 7.58 4.05 2.24 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 1.08 0.00 0.00 0.95 0.00 0.00 146 A 8.32 4.17 1.41 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 0.00 147 R 8.65 3.94 0.00 2.01 2.37 0.00 3.02 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 148 I 7.37 3.93 1.89 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 1.79 0.62 0.94 0.00 0.00 149 V 7.24 4.04 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 0.81 0.00 0.00 1.12 0.00 0.00 150 L 7.33 4.28 0.00 1.78 1.79 0.50 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.55 0.00 2.62 1.99 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 152 L 8.45 4.41 0.00 1.64 1.84 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.35 5.10 0.00 3.18 3.22 0.00 0.00 5.89 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 0.00 154 L 7.97 4.15 0.00 1.94 1.66 0.41 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.44 4.71 0.00 2.72 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 0.00 156 T 9.15 4.74 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 1.23 0.00 0.00 157 R 8.28 5.24 0.00 1.80 1.80 0.00 3.30 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 158 F 8.64 5.56 0.00 3.39 3.28 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 0.00 159 F 9.73 5.29 0.00 2.99 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 0.00 160 W 9.69 5.37 0.00 3.34 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 0.00 161 T 8.50 4.99 4.14 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 1.09 0.00 0.00 162 V 8.26 4.48 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 -0.36 0.00 0.00 0.60 0.00 0.00 163 N 8.55 5.05 0.00 3.17 2.93 0.00 0.00 6.05 7.31 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 0.00 164 A 8.66 3.83 1.65 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 0.00 165 R 7.97 3.96 0.00 1.94 2.19 0.00 3.51 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 166 S 8.76 4.32 0.00 3.91 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 0.00 167 L 7.83 3.97 0.00 1.53 1.29 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *169 N 8.19 4.71 0.00 2.95 3.13 0.00 0.00 6.71 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 0.00 170 F 8.40 4.10 0.00 3.28 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.36 4.05 0.00 1.98 1.95 1.14 0.72 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 0.00 172 N 8.45 4.54 0.00 3.03 2.97 0.00 0.00 6.94 7.85 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 0.00 173 L 7.67 4.13 0.00 1.58 1.67 1.02 0.90 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 0.00 174 R 8.17 4.05 0.00 0.71 1.33 0.00 2.97 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 175 A 7.82 4.61 1.37 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 0.00 0.00 0.00 176 D 7.21 5.06 0.00 2.81 2.42 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 0.00 177 S 9.51 4.26 0.00 3.96 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 0.00 178 H 8.16 4.44 0.00 3.39 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.65 4.36 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 0.00 180 Q 8.45 4.21 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 181 W 9.13 4.29 0.00 3.54 3.37 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 0.00 182 E 8.52 3.67 0.00 2.27 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 0.00 2.52 2.57 0.00 183 I 7.70 3.92 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.80 0.00 0.00 184 Q 7.65 4.10 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 185 Q 7.36 3.70 0.00 1.63 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 186 Y 7.57 3.87 0.00 3.19 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 0.00 187 A 8.27 4.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 7.98 3.93 0.00 1.83 1.69 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.81 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 8.13 3.55 2.12 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.84 0.79 0.00 0.00 191 A 8.36 4.17 1.54 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 0.00 192 R 8.07 3.66 0.00 1.86 2.13 0.00 3.10 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 1.60 1.63 0.00 193 I 7.72 3.77 2.27 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.48 1.14 0.00 0.00 194 F 8.45 4.28 0.00 2.91 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 0.00 195 K 7.95 3.24 0.00 0.79 1.48 0.00 1.41 0.00 0.00 1.46 0.00 0.00 3.31 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.10 7.81 196 E 7.92 4.03 0.00 2.22 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 2.30 2.47 0.00 197 K 7.99 4.30 0.00 2.09 1.91 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.72 1.76 7.81 198 C 8.13 4.83 0.00 2.71 3.02 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 0.00 199 P 0.00 4.32 0.00 2.37 2.31 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 200 W 8.20 4.42 0.00 3.68 3.27 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 0.00 201 T 8.74 4.01 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 1.19 0.00 0.00 202 F 8.19 3.95 0.00 2.62 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 0.00 203 E 8.62 3.94 0.00 2.15 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 2.74 2.60 0.00 204 A 8.46 4.15 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.66 4.26 0.00 3.04 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 0.00 206 L 7.37 3.59 0.00 1.52 1.46 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.68 3.85 0.00 1.60 1.69 0.00 1.52 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.97 7.81 208 Y 8.06 4.72 0.00 2.92 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 0.00 209 A 7.80 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.73 3.85 0.00 1.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 9.67 4.03 0.00 1.57 1.69 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.60 7.81 212 G 5.60 3.68 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 0.00 0.00 0.00 213 D 7.79 4.70 0.00 2.97 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 0.00 214 I 7.86 3.72 1.92 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 1.87 0.86 0.95 0.00 0.00 215 L 8.30 3.79 0.00 0.87 1.49 0.71 0.86 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 0.00 216 K 8.11 4.29 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.69 7.81 217 E 7.79 4.38 0.00 2.12 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 2.43 2.31 0.00 218 V 7.76 3.93 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 0.74 0.00 0.00 0.97 0.00 0.00 219 Q 8.34 4.39 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.81 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 220 V 8.39 3.61 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 0.65 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.