NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5389 8.4444 117.3680 54.0573 28.7022 170.2067 *2 K 4.3304 7.9865 124.2086 55.8728 33.3687 174.2616 3 I 4.5917 8.8261 128.1111 59.5031 40.2646 174.5072 4 D 5.0968 8.7554 126.8719 54.0670 41.8714 175.8714 5 I 4.2973 8.2606 123.1251 60.5633 40.9776 177.1447 6 L 3.9886 8.3939 124.9728 54.9771 40.5874 173.6212 7 D 4.6696 9.2972 116.9043 56.7401 39.6489 176.9892 8 K 4.4232 8.2736 114.3638 55.2823 34.0576 176.0931 9 G 4.0548 7.9307 108.4243 45.5567 0.0000 172.5080 10 F 5.2415 7.8242 112.3782 56.3202 41.7529 173.2201 11 V 4.9115 8.7880 119.9141 61.2267 34.4314 173.7071 12 E 4.9886 9.3850 129.0169 54.1087 32.5692 174.3345 13 L 4.4008 8.7023 129.2427 55.2896 42.3340 175.9889 14 V 4.0201 8.7531 126.7082 64.6945 32.7377 174.9931 15 D 4.5139 7.3401 117.1287 53.8723 44.6755 174.4447 16 V 4.3194 6.9552 119.2695 60.8913 33.7052 172.8119 *18 G 3.7153 8.3596 107.1732 46.2909 0.0000 169.8694 19 N 4.7272 8.3281 114.0657 51.0958 39.7796 174.0565 20 D 4.4951 8.8648 116.5817 58.4334 40.7372 178.9666 21 L 4.1480 8.5214 119.1406 57.4523 41.6451 179.6116 22 S 4.1849 8.3145 115.5559 61.3248 62.5716 176.4399 23 A 4.0712 7.8680 123.5363 54.8177 18.0954 179.8578 24 V 3.4963 7.5897 116.3244 66.3030 31.6526 178.3299 25 R 3.8187 8.4665 117.9186 59.0783 29.6712 179.0242 26 A 3.7731 7.8199 120.1159 54.9078 18.1692 179.4454 27 A 3.8812 7.9471 118.5238 55.2247 18.5889 179.4640 28 R 4.0851 8.0002 113.8465 55.4908 31.4760 176.4724 29 V 3.3559 7.2480 117.8468 63.6126 30.5240 170.6850 30 S 4.6356 8.2322 115.9062 57.7722 65.5010 174.0803 31 F 4.5344 8.1493 111.6861 56.6702 39.7914 174.5710 *39 E 4.1278 7.6785 119.9299 56.3601 31.2062 177.9939 40 R 4.1557 8.3015 120.6003 58.3717 30.3300 179.0793 41 D 4.3863 8.2026 119.2823 57.3414 40.4714 178.6177 42 R 3.5379 7.5410 118.3767 59.0509 29.8949 177.7383 43 H 4.2206 7.6319 117.3142 58.6784 29.8588 176.9638 44 L 4.0196 7.8426 122.2785 58.1827 41.7458 178.9277 45 I 4.0391 7.7007 118.6765 64.6591 37.1499 178.0108 46 E 4.1691 7.7896 117.4843 59.2812 29.6728 178.3768 47 Y 4.0720 8.0497 119.6498 60.5752 38.7798 179.0117 48 L 4.2925 8.5436 116.5779 55.5873 41.3136 179.1227 *50 K 3.9444 7.8949 119.2833 56.8690 33.5321 176.9321 51 H 4.3099 7.3722 111.6800 55.9944 28.7787 176.1037 52 G 3.8756 8.0485 107.1921 46.6368 0.0000 174.5560 53 H 4.7195 8.0831 119.0681 54.6668 27.2963 175.0256 54 E 4.8621 8.3362 122.1350 57.4690 30.7014 178.7585 55 T 4.1966 8.1022 111.6595 63.9506 68.5003 174.3055 56 P 4.2360 0.0000 0.0000 65.0799 30.8917 177.9002 57 F 4.5810 7.9486 115.1402 59.0297 38.8924 176.9637 58 E 4.3447 8.5321 119.1361 58.5984 29.0104 177.4695 59 H 4.7302 7.6582 114.8535 55.6992 28.9974 174.5143 60 I 4.5066 7.5993 121.4865 59.4474 39.3589 174.8159 61 V 4.8320 8.1041 125.9044 61.0155 35.1385 174.0002 62 F 4.6649 9.1864 124.5811 55.7761 43.1481 174.1171 63 T 4.7692 8.3080 118.0045 61.8694 71.2145 173.1882 64 F 5.3341 9.6872 126.1938 55.8207 42.8245 174.0671 65 H 4.9707 9.3032 121.6438 54.4281 32.1895 172.6901 66 V 4.4671 8.5368 126.0064 60.6110 34.6003 173.9920 67 K 4.6083 8.1453 128.6091 54.5696 34.1227 174.5251 68 A 5.4207 8.9713 128.2774 49.6081 23.1825 173.6638 69 P 4.2835 0.0000 0.0000 62.1450 32.3047 177.5233 70 I 3.4514 8.5208 122.1955 64.7582 36.5391 178.8262 71 F 4.2203 8.0694 114.8458 59.5423 37.6093 177.8514 72 V 3.2733 6.4802 118.3402 65.5880 31.4376 177.5369 73 A 3.9193 7.8034 120.6492 55.2859 17.8737 179.7822 74 R 3.6965 7.8626 115.8748 59.3774 30.3682 179.0985 75 Q 4.1519 7.6770 117.5637 58.5554 28.7401 178.2972 76 W 4.3208 8.3744 129.3958 60.7216 30.6351 177.7502 77 F 3.4712 8.7980 115.1006 59.0644 38.2543 177.1959 78 R 4.3509 7.8411 117.7959 57.8777 30.0952 176.3010 79 H 4.5940 8.2575 115.8191 55.1267 27.6976 175.3822 80 R 4.2344 8.6062 124.7819 58.6670 30.5262 178.2019 81 I 4.1436 7.5501 119.7401 58.1808 35.5367 173.5717 82 A 4.3022 7.0749 123.4687 51.6499 22.5237 175.7653 83 S 4.8601 8.2847 114.9371 57.1030 65.9376 173.6062 84 Y 5.3770 8.6247 120.1207 56.5001 41.9029 175.0949 85 N 4.9519 9.2164 119.1809 52.2558 42.5038 173.0912 86 E 5.2697 8.8775 124.9932 54.1167 31.7937 175.3093 87 L 4.0571 8.4616 127.6110 55.4122 42.7823 177.8288 88 S 4.5755 8.0645 117.2429 57.8592 63.4816 174.1945 *95 S 4.1941 7.8529 113.2691 57.4986 64.5166 174.6703 96 Y 4.2825 7.8324 118.0514 56.5459 39.0401 174.1236 97 E 4.9044 7.8404 122.8789 54.3125 34.2974 174.6800 98 F 5.2631 8.7764 118.7953 55.8333 43.1688 174.0242 99 Y 4.8269 9.2557 124.7381 57.5840 39.1296 174.9735 100 I 4.0745 8.2958 128.4902 58.5506 38.0158 174.1301 101 P 4.0216 0.0000 0.0000 62.4918 31.8524 176.7607 102 S 4.4051 8.5161 116.7640 57.2084 63.4432 173.0110 103 P 4.2707 0.0000 0.0000 65.6698 31.0523 178.7357 104 E 4.0061 8.1368 116.4955 58.7059 29.1058 178.9576 105 R 3.6110 7.5872 118.4376 58.5432 30.3258 177.3306 106 L 4.5361 7.7907 116.9941 53.5390 42.0914 176.2504 107 E 4.1102 7.3974 119.6832 58.1986 29.9247 176.4432 108 G 3.8316 9.0419 110.2543 45.1841 0.0000 173.0652 109 Y 4.4530 7.5362 117.1296 56.2511 39.0316 175.8498 110 K 4.3201 8.6142 125.2429 55.4512 31.3832 176.0252 111 T 4.5580 7.9620 113.7094 60.0581 70.6330 175.6473 112 T 3.9490 8.5090 120.1023 66.1061 68.7613 174.8759 113 I 4.3182 7.4060 121.6297 58.6343 38.6030 173.6734 114 P 4.2688 0.0000 0.0000 62.5605 32.0956 175.1435 115 P 4.1958 0.0000 0.0000 66.2094 31.3187 178.6297 116 E 3.9849 8.1927 116.4207 59.6079 29.3396 179.5329 117 R 4.0139 8.2736 118.2874 58.7721 30.1081 179.2623 118 V 3.5525 7.5569 117.9411 66.3298 31.6984 178.0474 119 T 3.8550 7.8959 115.4524 66.4609 68.0848 176.6236 120 E 3.9151 7.9225 120.1121 59.4428 29.7104 179.4182 121 K 3.9240 8.3904 118.8904 59.4547 32.1390 179.5755 122 I 3.6881 7.8485 120.1443 64.4503 36.9436 178.6133 123 S 4.1127 7.9734 115.9345 61.4801 62.5166 176.5193 124 E 3.9328 8.4129 121.7406 59.5166 29.2665 179.4941 125 I 3.6454 7.6434 112.7552 63.8617 37.4470 178.2979 126 V 3.3106 7.5228 119.5089 65.8241 31.3169 177.5080 127 D 4.2680 8.2066 117.9531 57.2366 41.0470 178.3933 128 K 3.9459 8.2385 118.9784 59.2908 32.0078 179.1848 129 A 3.9979 8.3257 121.4621 55.3613 18.2603 179.0055 130 Y 4.2295 8.1464 118.2158 61.1060 38.8157 178.5971 131 R 3.7177 8.2230 118.9798 59.4478 30.0318 179.2320 132 T 3.8397 8.0543 115.7041 66.4908 68.3136 176.1686 133 Y 4.0116 8.1263 121.6337 60.7523 38.8192 178.0930 134 L 3.4942 7.8250 120.0571 57.4713 41.7430 179.2048 135 E 3.7895 8.1360 119.2309 59.3051 29.6448 178.8360 136 L 4.0104 7.8163 120.4482 57.1301 41.5392 179.6432 137 I 3.4881 7.5351 119.7795 64.4880 36.8687 178.4078 138 E 3.9451 8.1264 118.1766 58.6947 29.3892 178.5662 139 S 4.5345 7.7431 112.7275 58.1574 63.2905 175.4071 140 G 4.0357 8.0918 111.4290 45.1868 0.0000 174.1639 141 V 3.7066 7.4477 119.8592 61.5872 32.1944 174.6888 142 P 4.3412 0.0000 0.0000 62.5781 32.8613 177.4166 143 R 3.9741 8.7778 122.2038 59.7364 29.8081 178.5728 144 E 4.0620 8.2485 115.7071 58.8282 29.8647 178.7260 145 V 3.9195 7.5782 118.4155 65.3952 31.9980 177.4504 146 A 4.1170 8.2614 121.0079 55.2188 18.2176 179.5636 147 R 4.1455 8.5574 114.2148 58.5357 29.3195 178.3675 148 I 4.0024 7.6084 112.8793 62.5843 37.6874 177.4404 149 V 3.9599 7.4795 120.6165 62.5575 32.1872 176.5884 150 L 4.2230 7.3073 120.1740 53.8741 42.0849 175.2207 151 P 4.6230 0.0000 0.0000 62.2996 32.4820 176.9724 152 L 4.2963 8.4829 118.2219 56.6297 42.4848 178.0037 153 N 5.1062 8.2760 116.4142 52.7466 38.8778 174.4541 154 L 4.1796 7.8599 123.0681 55.5392 43.2902 175.5940 155 Y 4.7066 8.3261 124.1449 57.9389 38.9499 174.5973 156 T 4.7218 9.1690 117.3191 60.3657 71.8415 172.3305 157 R 5.3120 8.1725 121.4598 54.6774 34.7203 174.4248 158 F 5.4802 8.5362 114.3893 56.5086 41.8749 172.7474 159 F 5.2420 9.5768 119.6953 56.1954 41.1685 174.9033 160 W 5.4014 9.7688 133.1460 56.1592 33.6939 173.7559 161 T 5.1081 8.4634 124.8019 61.6623 70.4223 174.0491 162 V 4.4739 8.1958 125.4060 59.9600 35.1235 174.4643 163 N 5.0168 8.5003 119.7503 51.5645 38.9393 175.6952 164 A 3.7662 8.9144 121.6563 55.3609 18.3457 179.9803 165 R 3.9793 7.9884 115.7537 59.7533 30.6918 178.2275 166 S 4.3167 8.6192 113.2371 61.0020 62.3238 176.4949 167 L 3.9410 7.7807 121.8211 55.3156 41.5600 178.0503 *169 N 4.7352 8.1911 117.7775 53.0685 40.9412 176.0085 170 F 4.0540 8.3126 119.8314 61.2418 39.4036 177.1836 171 L 3.9687 8.2835 118.6836 57.6852 41.2140 179.1329 172 N 4.5695 8.3814 115.4452 56.0692 38.5902 176.6288 173 L 4.2385 7.5512 119.3024 56.6356 42.0305 178.4869 174 R 4.1327 7.7584 116.7198 56.2752 32.1807 176.6440 175 A 4.5721 7.6771 124.3693 50.2558 17.7200 175.8931 176 D 4.8404 7.3039 121.4576 51.6606 44.9757 176.1119 177 S 4.2460 8.5226 120.2869 61.4858 62.9066 175.1048 178 H 4.5252 7.9442 116.3810 56.6416 28.8301 175.1780 179 A 4.5216 7.8955 123.1037 50.5129 20.1958 177.5163 180 Q 4.1772 8.4759 120.5137 55.8175 30.8564 177.0221 181 W 4.3488 9.1743 135.0000 61.0662 30.4209 177.9402 182 E 3.7166 8.6002 117.5803 59.5855 28.9066 179.1715 183 I 3.7318 7.7479 117.9759 63.8235 38.0793 177.6717 184 Q 4.0824 7.8191 120.4453 58.4592 28.6406 178.7148 185 Q 3.6759 7.3915 118.7750 59.2765 28.5257 178.9554 186 Y 3.7992 7.6023 117.0841 60.9098 37.8451 178.3576 187 A 4.0724 8.1780 122.0473 54.9833 18.2975 179.7196 188 L 3.8849 8.2569 117.9484 57.8783 41.6624 179.5605 189 A 3.9443 7.8128 120.2947 55.0366 18.2278 179.7771 190 I 3.4354 7.9039 118.1744 64.4094 37.1550 178.5286 191 A 4.0400 8.2281 121.7894 55.0073 18.3232 179.4778 192 R 3.6461 8.1124 117.4144 59.7798 30.2259 178.8721 193 I 3.7752 7.7552 119.4456 64.2429 37.0575 178.1687 194 F 4.1971 8.3029 121.6828 61.1863 38.9422 177.0555 195 K 3.3537 7.6219 118.4750 59.3089 31.9003 178.2731 196 E 4.0470 7.7455 117.5504 59.1023 29.4830 178.8662 197 K 4.3776 7.9209 116.3179 57.1417 34.1144 177.0929 198 C 4.9305 8.0748 116.4961 56.2278 29.1881 172.3038 199 P 4.3193 0.0000 0.0000 65.5713 31.4253 178.2287 200 W 4.4498 8.3095 116.7900 60.2432 29.0947 178.5777 201 T 3.9932 8.7326 115.9277 66.5928 67.9435 176.4577 202 F 3.9634 8.3293 122.8290 61.2187 39.3515 176.6583 203 E 3.7524 8.7393 119.0931 59.1880 29.3504 178.5816 204 A 4.0885 8.2768 120.8508 55.1325 18.4683 179.1443 205 F 4.1486 8.7230 119.4225 61.7388 39.2236 177.3571 206 L 3.5383 7.7519 117.1164 57.5190 41.3359 179.4139 207 K 3.7823 7.7056 117.7746 58.4799 32.0374 178.0624 208 Y 4.5986 7.9862 114.4301 57.7745 40.0670 176.3395 209 A 4.5006 7.7450 120.3468 52.6471 21.1268 176.2176 210 Y 3.9497 7.3511 117.4713 58.2741 38.7674 176.1531 211 K 4.0340 8.6073 126.4547 56.9520 33.4954 177.7808 212 G 3.8563 6.2743 106.4086 43.8262 0.0000 172.1092 213 D 4.7820 8.3862 115.0350 52.6338 41.1029 176.1997 214 I 4.0304 7.9753 112.4092 62.6441 38.3785 175.7424 215 L 4.1907 8.0602 125.8421 54.9855 41.3889 176.4474 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 H 8.44 4.54 0.00 2.95 2.97 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 7.99 4.33 0.00 1.66 1.70 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.19 7.81 3 I 8.83 4.59 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 1.22 0.69 0.87 0.00 0.00 4 D 8.76 5.10 0.00 2.55 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 8.26 4.30 1.17 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.32 -0.03 0.00 0.00 6 L 8.39 3.99 0.00 1.96 1.87 0.51 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.30 4.67 0.00 2.94 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 8 K 8.27 4.42 0.00 1.08 1.50 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.45 7.81 9 G 7.93 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 0.00 0.00 0.00 10 F 7.82 5.24 0.00 3.01 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 11 V 8.79 4.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.18 0.00 0.00 12 E 9.38 4.99 0.00 1.86 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 2.14 2.13 0.00 13 L 8.70 4.40 0.00 1.78 1.57 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.75 4.02 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 0.72 0.00 0.00 0.41 0.00 0.00 15 D 7.34 4.51 0.00 2.62 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 0.00 0.00 0.00 0.00 16 V 6.96 4.32 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 0.39 0.00 0.00 0.76 0.00 0.00 *18 G 8.36 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.33 4.73 0.00 2.79 2.81 0.00 0.00 7.41 7.70 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 20 D 8.86 4.50 0.00 2.47 2.97 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 0.00 0.00 0.00 21 L 8.52 4.15 0.00 1.75 1.70 0.90 0.88 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 22 S 8.31 4.18 0.00 3.95 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 23 A 7.87 4.07 1.09 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 24 V 7.59 3.50 2.27 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 1.12 0.00 0.00 1.06 0.00 0.00 25 R 8.47 3.82 0.00 1.81 1.84 0.00 3.08 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 26 A 7.82 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.95 3.88 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 28 R 8.00 4.09 0.00 1.77 1.98 0.00 3.32 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 29 V 7.25 3.36 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 0.73 0.00 0.00 0.97 0.00 0.00 30 S 8.23 4.64 0.00 4.02 3.78 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 31 F 8.15 4.53 0.00 2.89 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 *39 E 7.68 4.13 0.00 1.85 1.76 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 2.36 2.46 0.00 40 R 8.30 4.16 0.00 1.84 1.93 0.00 3.09 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 D 8.20 4.39 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.54 3.54 0.00 0.69 1.40 0.00 2.21 0.00 0.00 2.71 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 43 H 7.63 4.22 0.00 3.42 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.85 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 1.37 1.23 0.88 0.00 0.00 126 V 7.52 3.31 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 0.27 0.00 0.00 0.91 0.00 0.00 127 D 8.21 4.27 0.00 2.86 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 0.00 128 K 8.24 3.95 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 129 A 8.33 4.00 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 0.00 130 Y 8.15 4.23 0.00 2.87 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 0.00 131 R 8.22 3.72 0.00 2.00 1.91 0.00 3.17 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 1.65 1.99 0.00 132 T 8.05 3.84 4.43 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 1.22 0.00 0.00 133 Y 8.13 4.01 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 0.00 134 L 7.83 3.49 0.00 1.59 1.45 0.50 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.14 3.79 0.00 2.04 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 0.00 2.24 2.29 0.00 136 L 7.82 4.01 0.00 1.73 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.54 3.49 1.63 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.02 0.75 0.00 0.00 138 E 8.13 3.95 0.00 2.02 1.96 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 2.28 2.32 0.00 139 S 7.74 4.53 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.09 4.04 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 0.00 0.00 0.00 141 V 7.45 3.71 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 0.78 0.00 0.00 0.92 0.00 0.00 142 P 0.00 4.34 0.00 2.21 1.97 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 143 R 8.78 3.97 0.00 1.93 2.02 0.00 3.45 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 144 E 8.25 4.06 0.00 2.19 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 2.31 2.40 0.00 145 V 7.58 3.92 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 1.07 0.00 0.00 0.95 0.00 0.00 146 A 8.26 4.12 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 0.00 147 R 8.56 4.15 0.00 2.10 2.52 0.00 2.89 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 148 I 7.61 4.00 1.90 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 1.90 0.64 1.04 0.00 0.00 149 V 7.48 3.96 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 0.98 0.00 0.00 0.98 0.00 0.00 150 L 7.31 4.22 0.00 1.82 1.84 0.56 1.02 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 0.00 151 P 0.00 4.62 0.00 2.42 2.21 0.00 3.95 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 2.42 1.92 0.00 152 L 8.48 4.30 0.00 1.68 1.93 0.92 0.55 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 0.00 153 N 8.28 5.11 0.00 3.18 3.28 0.00 0.00 5.91 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 7.86 4.18 0.00 1.84 1.61 0.19 0.94 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 0.00 155 Y 8.33 4.71 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 9.17 4.72 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 1.22 0.00 0.00 157 R 8.17 5.31 0.00 1.79 1.83 0.00 3.38 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 158 F 8.54 5.48 0.00 3.44 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 9.58 5.24 0.00 3.00 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 9.77 5.40 0.00 3.24 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 0.00 161 T 8.46 5.11 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 1.11 0.00 0.00 162 V 8.20 4.47 0.67 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 -0.25 0.00 0.00 0.50 0.00 0.00 163 N 8.50 5.02 0.00 3.20 2.92 0.00 0.00 6.03 7.30 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 0.00 164 A 8.91 3.77 1.71 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 0.00 0.00 165 R 7.99 3.98 0.00 1.96 2.18 0.00 3.51 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 166 S 8.62 4.32 0.00 3.92 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 0.00 167 L 7.78 3.94 0.00 1.47 1.21 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *169 N 8.19 4.74 0.00 2.95 3.12 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 8.31 4.05 0.00 3.19 3.18 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 0.00 171 L 8.28 3.97 0.00 1.94 1.95 1.09 0.67 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 0.00 172 N 8.38 4.57 0.00 2.99 2.95 0.00 0.00 6.89 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 7.55 4.24 0.00 1.47 1.67 1.03 1.04 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 0.00 174 R 7.76 4.13 0.00 0.87 1.42 0.00 3.01 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.59 0.00 175 A 7.68 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.30 4.84 0.00 2.67 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 8.52 4.25 0.00 4.02 4.12 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 0.00 178 H 7.94 4.53 0.00 3.28 3.36 0.00 5.66 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 7.90 4.52 1.19 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 0.00 0.00 180 Q 8.48 4.18 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 181 W 9.17 4.35 0.00 3.55 3.42 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 0.00 182 E 8.60 3.72 0.00 2.35 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 2.67 2.63 0.00 183 I 7.75 3.73 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.95 0.00 0.00 184 Q 7.82 4.08 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 185 Q 7.39 3.68 0.00 1.67 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 186 Y 7.60 3.80 0.00 3.15 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 0.00 187 A 8.18 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.26 3.88 0.00 1.73 1.67 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.81 3.94 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 0.00 190 I 7.90 3.44 2.06 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.72 0.79 0.00 0.00 191 A 8.23 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.11 3.65 0.00 2.01 2.00 0.00 3.23 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 193 I 7.76 3.78 2.18 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 1.18 0.00 0.00 194 F 8.30 4.20 0.00 2.79 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 0.00 195 K 7.62 3.35 0.00 0.79 1.50 0.00 1.80 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.41 7.81 196 E 7.75 4.05 0.00 2.17 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 2.30 2.48 0.00 197 K 7.92 4.38 0.00 2.08 1.90 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.98 1.89 7.81 198 C 8.07 4.93 0.00 2.75 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 0.00 199 P 0.00 4.32 0.00 2.17 2.19 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.26 0.00 200 W 8.31 4.45 0.00 3.67 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 0.00 201 T 8.73 3.99 4.34 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 1.20 0.00 0.00 202 F 8.33 3.96 0.00 2.64 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 0.00 203 E 8.74 3.75 0.00 2.16 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 2.31 2.30 0.00 204 A 8.28 4.09 1.57 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 0.00 0.00 205 F 8.72 4.15 0.00 3.07 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 0.00 206 L 7.75 3.54 0.00 1.41 1.40 0.70 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.71 3.78 0.00 1.21 0.74 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.40 7.81 208 Y 7.99 4.60 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 0.00 209 A 7.74 4.50 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 0.00 210 Y 7.35 3.95 0.00 1.53 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 0.00 211 K 8.61 4.03 0.00 1.63 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.49 7.81 212 G 6.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 D 8.39 4.78 0.00 2.70 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 0.00 214 I 7.98 4.03 1.92 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 1.65 0.68 0.95 0.00 0.00 215 L 8.06 4.19 0.00 0.97 1.41 0.71 0.94 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 * Residues marked with a * may have inaccurate shift predictions.