NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3056 8.2649 123.5794 51.6525 19.9016 176.5767 1 R 3.9394 8.3841 122.4411 55.2182 30.9138 175.1555 2 G 3.7294 9.5060 111.4589 46.6531 0.0000 172.4147 3 R 4.6381 9.0544 123.3056 54.0626 32.8970 174.7403 4 L 5.0315 8.5715 125.9350 53.7363 44.1214 174.6296 5 K 4.9853 9.2442 128.0273 54.6533 34.7199 174.5084 6 V 4.6356 8.3403 127.8331 61.3442 33.8033 174.5457 7 F 4.8755 9.6079 128.0739 56.4978 39.8299 174.4160 8 L 4.9846 9.1516 127.6729 53.9143 43.7653 175.6428 9 G 4.5782 8.8338 111.3956 44.5500 0.0000 173.3506 10 A 4.0954 8.8695 122.6480 54.4907 18.6888 177.3892 11 A 4.5169 7.4721 116.0717 50.7791 21.7882 173.5994 12 P 4.4324 0.0000 0.0000 64.5977 31.6679 177.3605 13 G 4.0804 9.1534 110.4939 45.4642 0.0000 174.3708 14 V 3.8349 7.2200 111.9013 62.1437 32.1555 177.0664 15 G 4.1619 8.3744 108.9453 45.4834 0.0000 175.7937 16 K 4.0007 8.2748 119.7957 59.7222 32.3081 178.7506 17 T 3.9218 8.0149 113.4790 66.8197 68.8444 175.0387 18 Y 4.0621 8.3421 121.7267 60.7591 38.9508 179.0379 19 A 4.2338 8.0467 120.0742 52.7059 18.1530 179.0430 *21 L 4.2108 8.0083 121.3335 56.4454 44.0235 179.5658 22 Q 3.9062 8.0312 117.5590 58.7644 28.5729 178.5642 23 A 4.1326 8.2282 121.7353 55.1873 18.3719 179.5905 24 A 4.0073 7.9783 118.8685 55.5571 18.4316 179.4574 25 H 4.0257 8.3802 114.6850 58.7119 28.7396 177.7926 26 A 4.0152 7.9923 122.3476 55.4124 18.2700 179.6520 27 Q 3.9748 8.0592 116.3293 58.9859 28.7282 178.8652 28 L 4.0709 8.0577 121.4394 58.4034 41.9196 179.2889 29 R 3.9833 8.0554 116.8561 59.0877 29.9970 178.0745 30 Q 4.4303 7.5679 115.0275 55.7684 28.8085 176.8062 31 G 3.9197 8.0352 108.5666 45.0482 0.0000 174.3156 32 V 3.6273 7.4348 119.9117 62.5735 32.1165 176.5251 33 R 4.1493 8.4000 126.0212 56.2600 29.7410 176.0854 34 V 4.5112 8.0909 124.1415 60.3570 34.3504 174.1208 *36 A 3.9269 8.3232 122.0558 52.2285 19.2409 177.3881 37 G 3.7467 9.2214 111.2587 48.2380 0.0000 174.4668 38 V 4.5916 7.4337 120.7726 59.5856 34.7733 173.5982 39 V 4.7264 8.2878 124.2876 61.1813 34.4240 174.3201 40 E 4.3038 9.3635 128.9769 55.1573 29.3057 176.0343 41 T 4.0818 8.2400 115.0920 62.0474 69.6855 174.8744 42 H 3.5837 8.8499 117.8443 56.7930 26.1444 175.6667 43 G 3.5071 8.0619 105.0138 45.9292 0.0000 174.9323 44 R 4.2201 7.6920 120.3788 55.4032 31.0898 177.2932 45 A 4.0097 8.7028 126.5528 54.9234 18.6076 179.0250 46 E 4.0677 8.1555 115.9557 59.6248 29.9225 179.2665 47 T 4.1133 7.8924 116.2955 66.2534 68.7868 176.2621 48 E 3.8899 8.5487 121.4014 59.3738 29.3781 178.8526 49 A 4.0581 8.0270 119.8563 54.9256 18.6389 179.3566 50 L 4.0611 7.8749 117.3182 57.8683 41.6992 179.3847 51 L 3.9711 8.1180 120.3870 58.1875 41.8285 178.4541 52 N 4.6712 8.1497 114.7568 54.8513 38.6015 176.4414 53 G 3.9544 7.7017 105.6807 43.9401 0.0000 173.2977 54 L 4.7742 7.1213 120.5461 51.6479 44.4380 174.8298 55 P 4.3931 0.0000 0.0000 63.0840 31.9085 175.8109 56 Q 4.6769 8.2453 119.2926 54.2009 32.4512 174.3907 57 Q 4.3770 8.8836 125.7964 53.9997 29.7793 173.4727 58 P 4.2950 0.0000 0.0000 63.2752 31.8316 176.5006 59 L 4.3612 8.4639 123.0731 54.6905 42.9323 176.2839 60 L 4.4084 9.0740 121.7711 54.1780 43.0337 176.0569 61 R 5.0612 8.5970 123.5522 55.1385 31.5331 175.8767 62 T 4.7272 8.9085 113.7887 59.9338 72.5583 172.4260 63 E 4.9944 8.5940 120.9109 54.8212 31.7649 175.7898 64 Y 4.4503 8.4921 125.1526 57.3333 40.6875 174.5406 65 R 3.5226 9.1632 128.8802 57.3429 27.4902 176.2549 66 G 3.4943 7.8573 98.3372 46.7497 0.0000 174.3086 *68 T 4.3144 7.7482 115.1684 63.2032 69.6853 174.1220 69 L 4.6743 8.6949 127.1700 53.4580 43.8576 175.7464 70 E 5.2427 8.7208 121.4510 53.6936 32.6160 173.4358 71 E 4.4647 9.1459 123.0221 56.5082 32.6010 177.8518 *73 D 4.5584 8.8312 124.2916 54.5044 41.2765 174.5001 74 L 3.9299 8.0768 125.0472 57.8419 42.5557 177.6064 75 D 4.3174 8.0984 117.9143 57.5099 40.7526 178.6449 76 A 4.0330 8.0485 120.8366 55.0637 18.3230 179.7236 77 L 3.9280 7.9022 117.6803 57.9031 41.4443 179.7214 78 L 4.0490 7.9598 118.3309 57.4616 41.5857 179.4617 79 K 4.1032 7.7375 117.1500 59.5036 32.1730 179.1631 80 A 4.0033 8.2065 119.3832 52.5154 19.6056 177.2161 81 A 3.6396 7.6908 118.7181 52.8243 16.2561 173.9523 82 P 4.4982 0.0000 0.0000 61.6435 33.0426 177.2803 83 S 4.3256 8.6797 114.3287 60.5787 63.1465 173.7481 84 L 5.0665 7.6666 121.0261 53.1070 45.4169 175.1367 85 V 4.5265 9.0115 126.3258 61.0551 34.2542 174.0400 86 L 4.9743 8.3550 127.4886 53.7582 43.6194 175.7471 87 V 4.6279 8.8924 123.7189 60.8606 33.7619 174.1248 88 D 4.5846 9.1944 128.0661 55.1131 41.6599 175.3662 89 E 3.6178 8.9517 121.5393 56.5884 26.3881 174.9994 90 L 3.9734 8.7368 122.8723 57.7683 42.7069 177.7593 91 A 4.3280 7.8363 118.4822 52.7070 19.0265 176.5957 92 H 4.3056 8.1048 117.3687 57.2719 30.9488 174.0130 93 T 4.6189 8.7624 122.8807 62.2496 69.1257 174.8271 94 N 4.8339 8.7383 124.3577 52.5735 39.5538 175.2226 95 A 3.9409 8.8320 124.0592 51.4601 19.0943 175.8648 96 P 3.9734 0.0000 0.0000 64.3975 31.7100 177.1138 97 G 3.9176 8.7752 109.6444 45.3209 0.0000 173.7914 98 S 4.3347 7.2072 115.6204 57.6112 63.6675 174.2721 99 R 3.9125 8.6020 124.0512 59.0897 29.8926 176.3966 100 H 5.0102 7.4568 112.1251 53.8458 31.5651 174.5091 101 T 3.9481 8.4304 118.9643 65.9121 68.6702 174.7162 102 K 4.8275 7.4382 119.5034 53.7829 35.2961 177.3833 103 R 4.0505 8.8688 122.7059 59.0709 29.8534 179.0171 104 W 4.3361 8.1693 116.4244 59.7886 27.8811 178.2089 105 Q 3.7120 6.9246 118.8539 58.4707 28.0063 178.0886 106 D 4.4060 7.9549 119.4987 57.6256 40.8499 178.8933 107 I 3.7445 7.8530 119.9105 64.6277 37.0803 178.5119 108 Q 4.1095 8.4473 118.9824 58.9711 28.3936 178.5809 109 E 3.9509 8.2597 120.3795 59.1768 29.6770 178.8594 110 L 4.0022 7.9203 118.9765 57.9178 41.7182 179.5446 111 L 4.3852 8.4757 120.0945 57.2770 41.3227 179.4737 112 A 4.1107 8.2008 119.7143 54.4966 18.3805 178.5581 113 A 4.3283 7.5101 117.1890 52.2593 18.7838 178.2191 114 G 3.8396 7.8686 105.9752 45.3055 0.0000 173.4640 115 I 4.2137 7.6005 121.4740 60.1334 38.6099 175.4267 116 D 4.7213 8.8911 127.2480 54.3773 42.2493 175.5417 117 V 4.9430 8.8076 121.0761 61.5007 35.0598 173.6454 118 Y 5.5815 8.8441 125.0901 57.0256 40.4689 174.6807 119 T 6.0157 9.5658 117.0234 60.5164 71.9130 172.1719 120 T 5.4722 8.4811 114.0633 60.1256 72.3903 173.0736 121 V 4.7699 8.4269 121.4647 60.7729 35.2131 173.2762 122 N 5.2247 8.8987 120.7037 52.3494 39.8502 176.8489 123 V 3.7317 8.6122 121.8500 64.5196 31.6426 178.5053 124 Q 4.0690 8.0828 117.6765 59.0955 28.5496 177.2612 125 H 4.4096 8.0281 115.3593 57.4862 29.3556 175.4373 126 L 4.3432 7.6877 120.6441 54.7346 42.1773 177.3386 127 E 3.9533 9.1278 124.6444 59.9078 29.3252 179.9512 128 S 4.2140 8.1130 112.1604 60.8126 62.9870 175.4530 129 L 4.5281 7.7504 120.4937 54.2634 41.8938 177.5444 130 N 4.2688 8.0940 119.0108 57.0278 38.8493 176.4705 131 D 4.3278 8.0058 119.6297 57.2080 41.1306 178.2516 132 Q 3.9157 8.0269 119.6091 59.2540 29.0713 178.4204 133 V 3.5460 8.0663 119.4898 66.0996 31.5411 177.9519 134 R 4.2946 7.7207 119.9604 58.8998 29.6932 178.7376 135 G 3.5963 8.2537 104.9609 47.3083 0.0000 175.4745 136 I 3.9961 7.2891 121.0245 64.0804 37.6854 177.9289 137 T 4.1540 8.1986 108.6279 61.5898 69.1891 175.9183 138 G 3.8715 8.0623 108.5948 45.6648 0.0000 173.2110 139 V 4.2782 7.4804 120.3931 60.5251 32.9978 174.8014 140 Q 4.1424 8.6356 128.5645 56.0808 29.3516 175.4025 141 V 4.0731 8.2725 125.6263 61.8350 31.3591 175.2798 142 R 4.1388 8.5430 127.2730 57.7163 30.6371 176.6827 143 E 4.4312 8.1323 117.6086 55.3129 29.5372 175.1397 144 T 4.9832 8.2983 113.6466 59.6983 72.2180 173.2536 145 L 4.6708 8.6004 123.5249 52.4238 45.4730 173.9017 146 P 4.5141 0.0000 0.0000 62.4474 31.9835 177.1073 147 D 4.2501 8.9121 124.1035 57.3358 40.7873 179.2546 148 W 4.3254 7.9491 116.5101 59.3866 27.7582 178.3950 149 V 2.8121 5.8863 118.4484 65.4730 31.0872 177.4389 150 L 4.0394 7.3994 119.5078 58.0569 41.8471 178.6408 151 Q 4.3277 7.9884 116.6376 58.2946 28.7516 177.0389 152 E 4.4220 8.1961 114.5116 55.9722 29.7260 176.3557 153 A 4.1802 7.5528 123.1600 52.0461 19.0386 177.7461 154 F 4.3961 9.1466 125.1852 61.0464 40.1153 175.1447 155 D 4.8627 8.5839 117.1524 52.2858 45.1579 174.5075 156 L 5.1762 8.3820 123.2948 53.1341 45.2924 175.6146 157 V 4.3368 8.4603 125.8244 59.5581 34.1552 174.3654 158 L 4.6677 8.5822 127.4498 54.7529 42.7815 175.6519 159 I 4.4372 8.9075 128.5116 59.9583 38.0966 174.7763 160 D 5.0243 8.6136 126.4284 52.4102 43.5855 175.0656 161 L 4.5194 8.0637 124.5682 51.9452 45.2659 173.9114 162 P 4.3318 0.0000 0.0000 62.2157 32.7757 175.3639 163 P 4.2446 0.0000 0.0000 65.9782 31.4016 178.6892 164 R 3.8746 8.0180 116.6752 59.5322 29.9894 178.0196 165 E 3.9366 8.1119 118.5499 59.0827 29.7156 178.2281 166 L 4.0099 8.2228 120.6462 58.2425 42.1226 178.9199 167 L 4.0310 8.3241 119.1613 57.8726 41.4773 179.4287 168 E 3.9451 8.1729 118.3417 59.3830 29.3729 179.4856 169 R 3.8426 8.0192 118.0993 59.0703 30.1967 178.7874 170 L 3.6347 7.9095 119.9981 58.1392 41.8626 178.8636 171 R 3.8480 7.7203 117.1082 59.4994 30.0497 177.2972 172 D 4.6833 7.9444 115.3943 53.8970 40.8368 176.6966 173 G 3.6701 7.6546 107.1827 46.4670 0.0000 174.8915 174 K 4.1937 8.1025 118.4913 55.5885 33.0514 176.5662 175 V 4.2175 7.0848 118.8203 60.9103 33.0331 173.8510 176 Y 4.5845 8.6847 124.6918 56.1843 39.6757 175.9051 177 V 4.2618 7.9804 124.0571 59.6918 32.1860 173.7018 178 P 4.2891 0.0000 0.0000 65.2861 31.1928 178.0002 179 E 4.5283 8.0572 114.4804 55.4423 29.8362 175.2286 180 Q 4.4222 7.5829 117.4989 54.0872 31.1796 176.1499 181 A 4.2528 8.4009 124.7885 51.2474 20.5218 177.5121 182 R 3.8058 8.6414 120.9851 59.9532 30.0951 178.4978 183 A 3.9829 8.1641 119.3520 55.3322 18.3891 179.3571 184 A 4.0397 7.8481 118.5753 55.2282 18.5627 179.7215 185 I 3.9290 8.0706 118.5318 64.8670 37.0095 178.3984 186 D 4.4338 8.3046 118.4179 57.4159 40.7039 178.5220 187 A 4.1788 7.9068 119.9001 54.3486 18.3977 179.1335 188 F 4.2778 7.8895 118.1999 60.1421 40.9287 177.0230 189 F 4.4134 8.4222 120.1413 56.1619 37.4087 175.3311 190 T 4.7617 7.3732 114.7439 58.7503 73.3291 174.6235 191 Q 3.9237 8.4783 121.7559 59.7395 29.1781 178.5921 192 T 3.8010 7.7835 115.9787 66.8227 68.5168 176.2698 193 N 4.1806 7.8646 117.8744 56.3057 38.5282 177.6353 194 L 3.8134 7.9453 120.3840 57.7440 41.6098 179.7309 195 T 3.8201 7.9368 115.7470 66.4215 68.1591 176.4896 196 A 3.9184 7.5295 121.1833 55.2989 18.5148 179.4523 197 L 4.0199 7.7740 116.3297 57.7024 41.6912 179.3531 198 R 4.0747 7.8584 118.0689 59.1743 30.0634 179.1571 199 E 4.0766 7.7723 116.0354 56.3544 29.7278 176.7867 *201 A 4.1373 7.8145 117.6858 51.6936 20.4820 179.2001 *203 Q 4.2575 8.0107 119.3733 57.7175 30.7834 177.7767 204 T 3.8021 8.1685 112.6136 66.8406 68.3340 176.0107 205 A 4.0812 8.3995 122.5759 55.0051 18.1117 179.5435 206 A 4.0184 7.8709 118.0346 54.9590 18.7348 179.0263 207 A 4.0989 7.7865 117.4683 53.8612 18.6492 177.3102 208 Q 4.0404 7.7503 122.8721 56.1632 29.1822 175.3794 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 0 A 8.26 4.31 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 1 R 8.38 3.94 0.00 1.75 1.86 0.00 3.24 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 2 G 9.51 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.05 4.64 0.00 1.68 1.50 0.00 2.72 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 4 L 8.57 5.03 0.00 1.85 1.62 1.05 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.24 4.99 0.00 1.79 1.42 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.50 0.96 7.81 6 V 8.34 4.64 2.03 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 0.99 0.00 0.00 0.92 0.00 0.00 7 F 9.61 4.88 0.00 2.95 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 8 L 9.15 4.98 0.00 1.72 1.64 0.94 0.90 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 9 G 8.83 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.87 4.10 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 11 A 7.47 4.52 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 12 P 0.00 4.43 0.00 2.36 2.12 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 13 G 9.15 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 14 V 7.22 3.83 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 0.82 0.00 0.00 1.04 0.00 0.00 15 G 8.37 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 0.00 0.00 0.00 0.00 16 K 8.27 4.00 0.00 1.82 1.96 0.00 2.00 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.56 7.81 17 T 8.01 3.92 4.29 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 1.26 0.00 0.00 18 Y 8.34 4.06 0.00 3.03 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 19 A 8.05 4.23 1.38 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 0.00 0.00 *21 L 8.01 4.21 0.00 1.66 1.67 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.03 3.91 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 1.76 2.28 0.00 23 A 8.23 4.13 1.62 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 0.00 0.00 24 A 7.98 4.01 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 25 H 8.38 4.03 0.00 3.31 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.99 4.02 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 27 Q 8.06 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 28 L 8.06 4.07 0.00 1.81 1.80 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.06 3.98 0.00 2.02 2.00 0.00 3.22 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 30 Q 7.57 4.43 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.62 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 31 G 8.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.43 3.63 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 0.72 0.00 0.00 0.96 0.00 0.00 33 R 8.40 4.15 0.00 1.78 1.85 0.00 3.14 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 34 V 8.09 4.51 1.99 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8.20 4.11 1.38 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 0.00 0.00 113 A 7.51 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.87 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 0.00 0.00 0.00 115 I 7.60 4.21 2.01 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 1.43 0.75 0.95 0.00 0.00 116 D 8.89 4.72 0.00 2.66 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 0.00 117 V 8.81 4.94 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 1.16 0.00 0.00 1.01 0.00 0.00 118 Y 8.84 5.58 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.57 6.02 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 1.29 0.00 0.00 120 T 8.48 5.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 121 V 8.43 4.77 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 0.67 0.00 0.00 0.96 0.00 0.00 122 N 8.90 5.22 0.00 2.94 2.84 0.00 0.00 6.83 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.61 3.73 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 0.75 0.00 0.00 0.95 0.00 0.00 124 Q 8.08 4.07 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 125 H 8.03 4.41 0.00 3.20 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.69 4.34 0.00 1.78 1.57 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.13 3.95 0.00 2.13 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 2.35 2.34 0.00 128 S 8.11 4.21 0.00 4.03 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 0.00 129 L 7.75 4.53 0.00 1.85 1.70 0.96 0.40 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 0.00 130 N 8.09 4.27 0.00 2.88 2.82 0.00 0.00 7.16 8.65 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 0.00 131 D 8.01 4.33 0.00 2.73 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 0.00 132 Q 8.03 3.92 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 133 V 8.07 3.55 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 1.02 0.00 0.00 0.97 0.00 0.00 134 R 7.72 4.29 0.00 2.02 1.91 0.00 3.21 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 135 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 4.00 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.84 0.00 0.00 137 T 8.20 4.15 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 0.89 0.00 0.00 138 G 8.06 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 0.00 0.00 0.00 139 V 7.48 4.28 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 0.98 0.00 0.00 1.11 0.00 0.00 140 Q 8.64 4.14 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 141 V 8.27 4.07 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 0.93 0.00 0.00 0.99 0.00 0.00 142 R 8.54 4.14 0.00 1.86 1.99 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 143 E 8.13 4.43 0.00 2.01 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 0.00 2.25 2.30 0.00 144 T 8.30 4.98 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 1.25 0.00 0.00 145 L 8.60 4.67 0.00 1.69 1.42 0.69 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.51 0.00 0.83 1.79 0.00 2.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.99 0.00 147 D 8.91 4.25 0.00 2.75 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 0.00 148 W 7.95 4.33 0.00 3.52 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 5.89 2.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -1.47 0.00 0.00 150 L 7.40 4.04 0.00 1.62 1.67 0.88 0.71 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 0.00 151 Q 7.99 4.33 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 152 E 8.20 4.42 0.00 2.25 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 2.40 2.56 0.00 153 A 7.55 4.18 1.40 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 0.00 0.00 154 F 9.15 4.40 0.00 3.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.58 4.86 0.00 2.63 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 0.00 0.00 0.00 0.00 156 L 8.38 5.18 0.00 1.50 1.40 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.46 4.34 1.82 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 0.12 0.00 0.00 0.90 0.00 0.00 158 L 8.58 4.67 0.00 1.65 1.62 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.91 4.44 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 1.01 0.00 0.00 160 D 8.61 5.02 0.00 2.60 2.54 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 0.00 161 L 8.06 4.52 0.00 1.61 1.51 1.01 0.98 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 0.00 162 P 0.00 4.33 0.00 2.20 1.97 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 163 P 0.00 4.24 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 164 R 8.02 3.87 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 165 E 8.11 3.94 0.00 2.08 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 0.00 2.38 2.36 0.00 166 L 8.22 4.01 0.00 1.86 1.92 1.13 0.99 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 0.00 167 L 8.32 4.03 0.00 1.92 1.73 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.17 3.95 0.00 2.24 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 2.34 0.00 169 R 8.02 3.84 0.00 2.03 1.93 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 170 L 7.91 3.63 0.00 1.53 1.69 0.36 0.40 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 0.00 171 R 7.72 3.85 0.00 1.91 2.09 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 172 D 7.94 4.68 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.65 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 0.00 174 K 8.10 4.19 0.00 1.77 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 175 V 7.08 4.22 1.74 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 0.75 0.00 0.00 0.85 0.00 0.00 176 Y 8.68 4.58 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.98 4.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 178 P 0.00 4.29 0.00 2.26 2.23 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 179 E 8.06 4.53 0.00 2.11 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 2.33 0.00 180 Q 7.58 4.42 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 181 A 8.40 4.25 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 0.00 182 R 8.64 3.81 0.00 1.89 1.98 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 183 A 8.16 3.98 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 0.00 184 A 7.85 4.04 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 0.00 185 I 8.07 3.93 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.91 0.00 0.00 186 D 8.30 4.43 0.00 2.66 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 0.00 187 A 7.91 4.18 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 0.00 188 F 7.89 4.28 0.00 3.19 3.24 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 0.00 189 F 8.42 4.41 0.00 3.28 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 0.00 190 T 7.37 4.76 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 1.26 0.00 0.00 191 Q 8.48 3.92 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 192 T 7.78 3.80 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 193 N 7.86 4.18 0.00 2.58 2.40 0.00 0.00 7.12 6.09 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 0.00 194 L 7.95 3.81 0.00 1.69 1.67 1.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.94 3.82 4.39 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 1.18 0.00 0.00 196 A 7.53 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.77 4.02 0.00 1.50 1.83 0.45 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 198 R 7.86 4.07 0.00 1.88 2.15 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 199 E 7.77 4.08 0.00 2.00 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 0.00 2.30 2.31 0.00 *201 A 7.81 4.14 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 *203 Q 8.01 4.26 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 204 T 8.17 3.80 4.39 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 1.19 0.00 0.00 205 A 8.40 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 7.87 4.02 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 0.00 207 A 7.79 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Q 7.75 4.04 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.