NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7102 8.1633 120.6390 55.4414 34.2947 173.8942 2 W 5.2353 9.2848 122.7654 53.2662 32.6174 170.0842 3 V 4.8353 9.7901 121.4014 60.1964 34.8077 173.4178 4 Y 4.2988 9.3339 126.7951 55.8407 40.4230 174.2281 5 R 4.4805 8.2047 127.4281 54.5575 32.2496 175.6501 6 L 4.7816 8.4062 123.5701 52.3899 45.2811 176.3323 7 K 4.2238 8.5778 123.6286 57.3731 32.7632 176.9551 8 G 4.0770 8.9771 113.2240 44.7419 0.0000 174.5806 9 T 4.1305 8.3646 112.5936 61.0382 70.7488 175.5392 10 L 3.9982 8.1559 121.9813 58.2212 41.6761 179.6009 11 E 4.1059 8.1372 116.8547 59.1378 29.4961 178.8292 12 A 4.2087 7.5888 119.7728 54.8233 18.8766 178.7447 13 L 4.4361 7.8796 116.2563 55.0536 41.5295 178.2787 14 D 4.3825 8.1636 121.3856 57.4052 40.7832 176.6118 15 P 4.3161 0.0000 0.0000 64.6853 31.5092 177.4762 16 I 4.2470 7.5125 109.7020 61.0873 38.1714 177.7050 17 L 3.9630 7.5169 121.4122 57.6439 41.5599 177.5226 18 P 4.6346 0.0000 0.0000 65.1294 31.2485 178.8759 19 G 3.8499 7.9084 106.3648 47.0075 0.0000 175.9046 20 L 4.2095 7.7827 120.8360 57.8568 41.7335 179.4404 21 F 4.0233 8.0592 117.7237 60.4735 38.5846 177.3524 22 D 4.6391 8.2839 117.8023 56.6636 40.7495 178.4421 23 G 4.0643 8.1305 105.6578 46.0006 0.0000 173.2393 24 G 3.5455 7.2893 108.4782 44.7959 0.0000 173.8506 25 A 2.9223 7.4581 124.7427 51.8702 18.4533 178.2792 26 R 4.5193 8.3394 120.6894 55.0697 31.3885 176.4055 27 G 4.3387 6.5178 106.4106 45.9933 0.0000 172.1379 28 L 5.5623 8.7880 121.3686 52.4371 45.1682 175.8805 29 W 5.2548 9.3188 132.3718 55.6664 33.9194 173.4599 30 E 4.6182 9.2649 129.0314 55.7531 30.2079 176.0096 31 R 3.8908 8.3116 125.6245 54.9355 32.9634 174.5713 32 E 3.7347 9.6280 121.4959 57.7165 26.6868 175.2709 33 G 3.9359 7.9017 104.2233 45.9244 0.0000 170.5857 34 E 5.1107 7.9302 117.7444 54.2360 34.3616 174.5702 35 V 4.6313 8.9724 122.1996 61.1673 33.9941 174.4839 36 W 4.9487 9.3054 128.1528 55.1466 31.0305 174.5163 37 A 5.1592 8.8614 128.2527 50.2985 20.8966 175.2563 38 F 5.4967 8.8666 121.9118 56.1486 40.9014 175.1524 39 F 5.2364 9.6337 122.4565 54.9183 42.0316 174.7586 40 P 4.3138 0.0000 0.0000 65.8452 31.4104 176.3806 41 A 4.4068 7.5534 117.0045 49.8974 21.7805 173.9035 42 P 2.0000 0.0000 0.0000 61.7966 31.4939 176.6474 43 V 4.0686 6.6764 114.7433 58.9276 34.7815 175.2631 44 D 4.4398 8.3408 121.1848 54.0027 40.3177 175.2841 45 L 4.6736 8.1751 126.5486 52.3060 44.3509 175.1966 46 P 4.6310 0.0000 0.0000 63.3073 31.9342 175.8371 47 Y 4.6260 7.5584 116.2954 59.1340 39.1040 177.5163 48 E 4.1952 8.7198 118.4473 56.0685 26.9196 175.3183 49 G 3.0935 7.5645 108.0975 44.3505 0.0000 172.9646 50 V 4.3562 6.8057 117.5644 60.7868 35.2676 175.2965 51 W 5.4645 8.8756 126.4144 55.2368 30.9909 175.0279 52 E 4.9072 9.6904 124.3112 54.4073 33.3934 174.4311 53 E 3.3314 7.9550 123.5455 54.5668 30.4554 176.1103 54 V 3.8844 8.2250 121.7196 61.1935 32.4156 176.2090 55 G 3.8937 8.7616 114.9480 45.1411 0.0000 173.8459 56 D 4.5516 8.6421 124.9555 56.0819 40.9614 178.1084 57 E 3.7376 8.1789 119.2138 59.6941 29.6153 178.2718 58 D 4.4951 7.9762 118.2954 56.8068 40.9630 178.4194 59 W 4.7004 8.1111 119.2146 58.6100 28.5967 176.2122 60 L 4.1971 6.4351 119.0953 53.8085 38.9905 177.7910 61 E 3.6584 8.9500 126.1713 55.0915 27.0050 174.3319 62 A 4.1355 8.8594 126.8398 54.3544 18.2748 178.8032 63 W 4.4398 8.7779 127.5202 60.9495 30.4117 178.5994 64 R 3.1051 7.8846 117.6141 58.6214 29.1486 179.0075 65 R 3.8723 7.7493 114.9549 58.6874 29.5650 177.5913 66 D 4.6592 7.3345 116.9998 53.7827 41.8213 176.9154 67 L 4.2855 6.9753 119.2362 54.5830 42.2887 176.5226 68 K 4.6636 8.1277 119.9765 53.6997 36.2139 174.2862 69 P 4.3618 0.0000 0.0000 63.2304 32.3913 175.5993 70 A 4.5855 8.4623 123.2306 49.8564 21.8949 175.5726 71 L 4.2208 8.6318 123.0411 54.9572 42.5245 178.2525 72 A 4.6474 9.1536 126.0516 49.3740 19.4315 173.0873 73 P 4.5953 0.0000 0.0000 61.9571 32.4021 174.9803 74 P 4.4625 0.0000 0.0000 63.6116 32.3341 175.4610 75 F 5.4678 8.5445 120.5086 56.1239 42.3723 174.7444 76 V 4.6306 8.3112 119.1880 59.9135 34.3350 174.7243 77 V 4.3935 8.7984 125.2929 61.7999 32.7764 174.4732 78 L 5.0274 8.7116 127.9215 52.6301 44.9932 176.3645 79 A 4.1380 7.9487 124.2707 50.0105 19.1022 176.7772 80 P 4.1336 0.0000 0.0000 65.2076 31.4488 177.9920 81 W 4.4540 7.3095 112.6045 57.6444 28.7189 176.2106 82 H 4.4258 7.2557 117.9610 56.6932 28.3807 175.2213 83 T 4.5481 8.4219 121.1490 63.5438 69.0135 175.0008 84 W 4.4383 8.1588 130.3757 57.6501 31.4353 175.1835 85 E 4.2529 6.9422 122.0396 55.8539 31.0596 176.3089 86 G 3.7771 4.0000 108.9911 45.2563 0.0000 174.7611 87 A 4.4879 7.9643 122.2752 53.2378 20.3381 177.4545 88 E 4.3122 8.4052 114.1296 56.3112 30.9455 177.0043 89 I 4.1924 8.5036 123.1828 60.3120 37.9491 174.2253 90 P 4.6444 0.0000 0.0000 62.6616 32.5344 176.0221 91 L 4.6267 8.5349 123.6885 53.5074 44.9273 175.0289 92 V 4.4884 8.9041 127.9477 61.9366 32.3713 175.3094 93 I 4.6641 8.5636 128.8002 59.1340 40.9170 174.5758 94 E 3.9322 9.4636 129.1516 55.1049 29.6827 174.7825 95 P 4.3893 0.0000 0.0000 62.8437 31.5327 174.6275 96 G 3.8133 8.1814 109.5722 46.9845 0.0000 174.9265 *101 T 4.2646 7.2252 117.9793 62.9382 72.0131 175.7912 102 G 3.5233 7.4276 108.7348 44.4648 0.0000 174.5299 103 H 3.8139 8.0321 121.4896 59.0102 30.2316 175.3687 104 A 3.9200 7.9151 121.7719 55.2986 18.2396 179.3256 105 E 3.8869 7.8857 116.6517 59.7987 29.6722 179.5845 106 T 3.8782 7.4091 109.5082 64.7821 68.8170 176.9783 107 T 3.6978 7.8918 118.8369 66.2823 68.4567 176.4472 108 R 3.8448 7.9688 120.5510 59.3612 30.1049 178.4093 109 L 3.9194 7.9130 118.3633 57.8433 41.6949 179.2908 110 A 3.9782 8.3455 120.8390 55.1956 18.3090 179.6367 111 L 3.8966 8.1089 117.5959 57.7575 41.7466 179.5116 112 K 3.9122 8.0461 119.1786 59.6694 32.0867 178.4436 113 A 4.0683 8.0508 120.8449 55.0893 18.2824 179.2099 114 L 3.8977 8.4720 118.8926 58.5122 41.9868 179.2504 115 A 4.0866 8.0632 119.1440 54.9676 18.3138 179.3336 116 R 3.9444 7.8864 116.7823 59.6911 30.2814 177.8169 117 H 4.4918 8.3387 114.7346 56.5359 29.5814 175.9483 118 L 4.2066 7.6046 122.2591 54.7565 42.7944 176.0067 119 R 4.6927 8.4244 123.7618 53.3010 32.5655 173.8176 120 P 4.5184 0.0000 0.0000 64.6796 31.7079 176.7824 121 G 4.0333 9.3986 111.2602 45.2576 0.0000 173.6903 122 D 4.6593 7.9789 120.3829 54.6772 42.1060 175.9163 123 K 4.8007 10.2332 124.0325 56.0519 33.6628 176.0245 124 V 4.8406 9.0470 124.9466 60.9572 34.7026 173.6758 125 L 4.3065 8.6191 130.4054 53.2840 43.6684 174.6498 126 D 5.0271 8.7883 127.9937 52.8626 41.7230 174.3441 127 L 4.2003 8.4741 129.0028 54.3408 42.8020 176.5993 128 G 3.6943 8.6290 115.3578 46.3780 0.0000 173.9281 129 T 4.1480 7.7739 114.9311 62.3716 69.4083 177.1009 130 G 3.8307 8.3666 108.0766 46.3285 0.0000 176.3245 131 S 3.9985 8.9166 123.5039 59.3887 63.3679 175.9458 132 G 4.3578 8.6197 110.3178 44.5892 0.0000 175.1876 133 V 3.4835 7.3350 120.1716 65.1389 30.8428 178.3276 134 L 3.9421 7.7721 118.2401 56.8455 41.7937 178.8995 135 A 3.9328 8.0692 120.3859 55.1072 18.3647 179.5788 136 I 3.6703 8.0927 118.2745 64.4115 37.1693 178.5395 137 A 3.8354 8.0688 121.4472 54.9080 18.1317 179.2809 138 A 3.9593 8.1438 119.5409 55.5974 18.4570 179.7621 139 E 4.2654 8.1023 118.1100 59.0444 29.3201 179.4271 140 K 3.9366 7.9341 117.3674 59.6589 32.2997 178.3177 141 L 4.4555 7.7388 115.6650 54.6385 41.9731 177.6832 142 G 3.8941 8.2406 108.3288 45.3156 0.0000 173.8372 143 G 4.1079 8.4063 107.6252 45.6330 0.0000 173.7146 144 K 5.0035 9.1628 120.4196 54.6254 33.9167 175.1194 145 A 5.1659 9.5668 127.5893 49.8694 22.1429 174.9192 146 L 4.8208 8.8387 122.8278 53.0844 45.1506 175.2877 147 G 4.4413 8.9666 114.2821 44.6992 0.0000 172.5801 148 V 5.5704 8.3795 118.6623 58.9804 35.2156 174.4394 149 D 5.0423 8.3259 122.1186 52.7662 44.2613 176.1991 150 I 3.7857 8.6167 118.2689 62.9884 38.0914 175.3575 151 D 4.6086 8.6235 122.3353 52.3493 40.6722 174.9256 152 P 4.3244 0.0000 0.0000 65.7986 31.1781 178.0188 153 M 4.1825 8.0556 117.5990 57.5219 32.1430 177.8786 154 V 4.0152 7.3969 111.2758 61.7294 31.9881 178.0643 155 L 3.7918 7.6927 120.0440 57.3646 41.4809 177.3301 156 P 4.1712 0.0000 0.0000 65.6984 31.1911 178.4245 157 Q 3.8862 7.9202 117.6558 58.8610 29.0583 177.7681 158 A 4.4024 7.6787 123.2519 54.4623 18.2942 179.4865 159 E 3.8871 8.1194 117.0922 59.5674 29.3648 179.3739 160 A 4.0140 7.8567 119.5191 55.3798 18.5265 179.1741 161 N 4.3963 8.2697 114.7751 56.1998 38.6262 177.5938 162 A 4.1584 8.0844 122.4350 55.0936 17.9752 179.7595 163 K 3.9663 8.0821 116.9368 59.6745 31.9213 179.3859 164 R 4.1460 7.6044 115.1117 57.7925 30.0910 177.3685 165 N 4.9557 7.7879 114.2798 51.4987 40.1933 174.4685 166 G 3.9496 7.7660 107.2644 46.7961 0.0000 173.9887 167 V 4.6048 7.7647 110.3852 59.3445 35.3099 176.3300 168 R 4.5615 8.0354 119.9469 53.6424 30.2032 173.3529 169 P 4.5012 0.0000 0.0000 62.0167 33.0810 175.4955 170 R 4.1982 8.1679 121.7232 55.4158 31.3813 174.9831 171 F 5.5480 8.4824 124.2084 55.7869 41.9965 174.4928 172 L 4.6712 8.6774 123.7431 53.4201 45.9236 174.3044 173 E 4.4501 8.7876 127.2198 55.5012 30.2747 177.2691 174 G 3.8899 7.1460 114.3270 45.0044 0.0000 171.7828 175 S 4.4856 7.9258 118.3693 56.4177 63.2471 177.1567 176 L 4.0923 8.8275 114.6122 57.6633 41.1476 178.4633 177 E 3.9697 8.2293 117.6190 59.4275 29.7036 178.3990 178 A 4.2353 8.0365 118.8418 55.0056 18.7297 178.9868 179 A 4.3180 8.0960 119.2612 54.9047 18.3399 179.2589 180 L 3.9888 7.9369 119.5182 58.1552 42.0955 177.1235 181 P 4.4438 0.0000 0.0000 63.7345 31.3412 176.6053 182 F 4.5084 8.4533 116.5700 57.3799 40.3461 176.0972 183 G 3.3537 7.2179 110.4532 43.2700 0.0000 171.5933 184 P 4.4870 0.0000 0.0000 62.7855 32.3573 175.1250 185 F 4.7827 8.9988 117.5710 56.1133 41.3022 176.8289 186 D 4.6845 9.2249 121.1902 56.6838 42.3080 176.5807 187 L 5.1144 7.9294 119.8317 53.4832 45.9139 174.2591 188 L 5.1751 9.4565 128.8076 53.1265 44.8474 175.2152 189 V 4.8191 8.7871 125.0556 59.8889 34.8123 174.7663 190 A 4.6310 8.8333 126.3663 51.2623 21.7292 174.4246 191 N 5.1096 8.7492 122.1058 52.9495 38.2813 174.9717 192 L 4.8787 8.7967 126.1195 54.0010 44.7223 178.6051 193 Y 5.6729 8.6279 122.7447 56.3671 40.7711 174.9772 194 A 4.0609 9.1298 123.1251 55.9018 18.3142 179.9977 195 E 3.9531 8.3739 116.1983 59.3879 29.5911 179.3354 196 L 3.6708 6.9666 119.7920 58.3079 42.2366 178.3309 197 H 4.2551 7.9815 117.1960 58.1816 28.4038 177.6551 198 A 3.8524 7.7856 121.0904 55.1703 18.3534 179.2995 199 A 3.9857 7.6257 117.9459 54.8977 18.7107 179.1847 200 L 3.9720 7.8104 116.1669 55.8442 41.7701 179.0106 201 A 3.6018 7.2657 121.9528 54.6503 18.4653 177.9250 202 P 4.2589 0.0000 0.0000 65.8844 31.0635 178.3270 203 R 4.2704 7.8902 116.6222 58.2226 30.5406 177.9002 204 Y 4.7016 7.8071 116.7617 61.2373 38.0165 178.3574 205 R 4.1551 8.2037 119.6454 59.6354 30.0249 178.1879 206 E 4.0396 7.8063 115.9183 58.7011 29.8884 177.8353 207 A 4.4309 8.1043 119.4868 52.3640 19.1040 176.3234 208 L 5.3126 7.0508 116.4111 52.6879 44.1921 177.3342 209 V 3.9763 8.8052 116.1287 60.4742 32.9520 173.9231 210 P 4.3362 0.0000 0.0000 64.7615 31.0686 176.8456 211 G 3.9536 9.0036 112.0389 45.0333 0.0000 173.7964 212 G 3.9819 8.1269 107.4063 46.4394 0.0000 172.8976 213 R 5.5230 9.1876 118.8149 54.0809 34.3734 174.6718 214 A 4.9825 8.8841 122.8623 50.1091 22.3549 175.0523 215 L 4.9783 9.1910 122.8247 53.0457 44.6544 175.5086 216 L 5.0276 8.8611 125.2682 53.2638 44.3830 176.1131 217 T 4.7412 8.1281 117.9997 60.3113 71.6395 174.5361 218 G 4.0026 8.9673 108.7889 46.8078 0.0000 172.5979 219 I 4.5910 7.7278 121.1459 59.2939 38.0267 175.3592 220 L 4.1134 8.5423 126.1888 54.3196 41.8087 178.1196 221 K 3.8369 8.7295 124.7704 59.7382 32.1826 178.2974 222 D 4.4680 7.8956 116.3671 56.0517 41.0388 177.4912 223 R 4.4845 7.8725 117.1766 55.9204 30.3203 177.7061 224 A 4.0605 7.6658 122.7584 54.8294 18.3295 178.3609 225 P 4.2918 0.0000 0.0000 65.3844 31.3503 178.2014 226 L 3.9019 7.6449 119.1416 58.4587 41.8904 179.4418 227 V 3.5702 7.7355 117.2872 65.8979 31.5225 177.7906 228 R 4.3495 8.4033 119.6650 58.6732 29.9373 178.4189 229 E 3.8974 8.6624 118.9261 59.4625 29.7794 178.7216 230 A 4.0021 8.0826 120.6137 55.4957 18.4140 179.5625 231 M 3.8499 8.3387 117.3734 58.1671 31.9476 178.8821 232 A 4.1700 8.3465 121.3982 55.1728 18.3819 179.9114 233 G 3.6352 8.3876 103.3536 47.6280 0.0000 174.9661 234 A 4.3874 7.6314 120.1170 52.3628 18.8804 178.0264 235 G 3.9664 7.8341 105.1597 44.8162 0.0000 173.9065 236 F 4.7555 7.9756 117.8938 56.9208 40.3757 175.2264 237 R 4.8032 9.2147 121.1994 54.1412 32.0949 174.2496 238 P 4.5705 0.0000 0.0000 62.6875 31.8470 175.6391 239 L 4.7017 7.7444 122.1094 55.7472 44.2505 176.6338 240 E 4.8086 7.2144 113.0075 55.8152 32.0174 174.8499 241 E 5.1843 8.9075 119.4513 54.6552 33.0880 175.1267 242 A 4.9347 8.9206 122.4777 50.3717 23.0277 174.9399 243 A 5.1615 8.4460 119.7512 50.5209 23.0972 175.8110 244 E 4.5061 9.5333 121.5594 55.7487 33.5526 175.3812 245 G 3.8782 8.4130 116.3051 47.4384 0.0000 173.4603 246 E 4.2053 8.7371 124.6304 55.7080 29.3934 175.0332 247 W 5.5122 8.0205 119.0316 55.0450 32.4930 174.9284 248 V 5.0604 8.9411 115.2476 59.5837 35.9596 174.0612 249 L 5.0987 9.1143 124.8079 53.3186 44.8201 174.9908 250 L 4.9566 9.2855 125.5787 52.8095 44.9042 175.1133 251 A 5.1098 8.1300 125.0097 50.3997 21.7602 174.9119 252 Y 5.2046 9.2260 118.5083 56.2807 43.1681 174.5185 253 G 4.6199 9.8660 108.1498 44.4301 0.0000 173.2110 254 R 4.2765 8.8416 118.6257 55.9278 29.6785 175.7342 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 1 M 8.16 4.71 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.04 0.00 2 W 9.28 5.24 0.00 3.52 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 3 V 9.79 4.84 1.72 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 0.43 0.00 0.00 -0.34 0.00 0.00 4 Y 9.33 4.30 0.00 1.43 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 5 R 8.20 4.48 0.00 1.27 1.44 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 6 L 8.41 4.78 0.00 1.41 1.39 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.58 4.22 0.00 1.59 1.71 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 8 G 8.98 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 9 T 8.36 4.13 4.42 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 1.20 0.00 0.00 10 L 8.16 4.00 0.00 1.63 1.82 1.00 1.43 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 11 E 8.14 4.11 0.00 1.94 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 2.32 2.38 0.00 12 A 7.59 4.21 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 13 L 7.88 4.44 0.00 1.76 1.65 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.16 4.38 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.32 0.00 2.09 2.13 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 16 I 7.51 4.25 1.35 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.04 0.00 0.00 17 L 7.52 3.96 0.00 1.79 1.90 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.63 0.00 2.21 2.14 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 19 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.78 4.21 0.00 1.70 1.68 0.85 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.06 4.02 0.00 3.26 3.06 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 0.00 0.00 0.00 0.00 *101 T 7.23 4.26 4.44 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 1.34 0.00 0.00 102 G 7.43 3.52 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 0.00 0.00 0.00 103 H 8.03 3.81 0.00 3.18 3.27 0.00 5.88 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 0.00 104 A 7.92 3.92 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 0.00 105 E 7.89 3.89 0.00 1.94 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 2.58 2.69 0.00 106 T 7.41 3.88 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 0.68 0.00 0.00 107 T 7.89 3.70 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 1.07 0.00 0.00 108 R 7.97 3.84 0.00 2.04 2.07 0.00 3.33 0.00 0.00 3.17 7.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.12 3.89 0.00 2.11 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 2.46 2.49 0.00 160 A 7.86 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 0.00 161 N 8.27 4.40 0.00 2.81 2.83 0.00 0.00 6.89 7.10 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 0.00 162 A 8.08 4.16 1.64 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 0.00 163 K 8.08 3.97 0.00 2.02 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 164 R 7.60 4.15 0.00 1.98 1.96 0.00 3.09 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 1.66 0.00 165 N 7.79 4.96 0.00 2.83 2.83 0.00 0.00 6.94 7.57 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 0.00 166 G 7.77 3.95 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 0.00 175 S 7.93 4.49 0.00 3.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.83 4.09 0.00 1.84 1.78 1.04 0.95 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 0.00 177 E 8.23 3.97 0.00 2.00 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 2.34 2.43 0.00 178 A 8.04 4.24 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 0.00 179 A 8.10 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.94 3.99 0.00 2.08 1.78 1.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.44 0.00 1.63 1.91 0.00 4.04 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 182 F 8.45 4.51 0.00 3.46 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 0.00 183 G 7.22 3.35 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 0.00 184 P 0.00 4.49 0.00 2.25 2.06 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 185 F 9.00 4.78 0.00 3.08 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 0.00 186 D 9.22 4.68 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 7.93 5.11 0.00 1.76 1.48 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 188 L 9.46 5.18 0.00 1.62 1.35 0.71 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.79 4.82 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 0.69 0.00 0.00 0.87 0.00 0.00 190 A 8.83 4.63 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 0.00 191 N 8.75 5.11 0.00 2.68 2.71 0.00 0.00 7.03 7.78 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 0.00 192 L 8.80 4.88 0.00 1.23 0.59 0.89 0.72 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 0.00 193 Y 8.63 5.67 0.00 3.25 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 0.00 194 A 9.13 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.37 3.95 0.00 2.35 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 2.50 2.49 0.00 196 L 6.97 3.67 0.00 0.54 0.75 0.82 0.90 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 0.00 197 H 7.98 4.26 0.00 3.38 3.33 0.00 5.68 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 0.00 198 A 7.79 3.85 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 0.00 199 A 7.63 3.99 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 0.00 200 L 7.81 3.97 0.00 1.54 0.68 0.84 0.59 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 0.00 201 A 7.27 3.60 1.23 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 0.00 0.00 0.00 202 P 0.00 4.26 0.00 2.26 2.32 0.00 3.58 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 2.02 2.02 0.00 203 R 7.89 4.27 0.00 1.90 2.08 0.00 3.17 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 204 Y 7.81 4.70 0.00 3.24 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 0.00 205 R 8.20 4.16 0.00 1.87 2.14 0.00 3.17 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.00 206 E 7.81 4.04 0.00 2.12 2.20 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 2.38 2.37 0.00 207 A 8.10 4.43 1.58 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 0.00 208 L 7.05 5.31 0.00 1.68 1.68 1.25 1.02 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 0.00 209 V 8.81 3.98 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 0.69 0.00 0.00 1.00 0.00 0.00 210 P 0.00 4.34 0.00 2.06 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 211 G 9.00 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 0.00 212 G 8.13 3.98 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 0.00 0.00 0.00 213 R 9.19 5.52 0.00 1.74 1.78 0.00 3.14 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 214 A 8.88 4.98 1.02 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 0.00 0.00 215 L 9.19 4.98 0.00 1.45 1.52 0.95 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.86 5.03 0.00 1.78 1.36 0.54 0.41 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 0.00 217 T 8.13 4.74 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 1.18 0.00 0.00 218 G 8.97 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 0.00 0.00 0.00 219 I 7.73 4.59 2.15 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 1.60 1.09 1.01 0.00 0.00 220 L 8.54 4.11 0.00 1.59 1.42 -0.33 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 221 K 8.73 3.84 0.00 1.80 1.72 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 222 D 7.90 4.47 0.00 2.65 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 0.00 223 R 7.87 4.48 0.00 1.96 1.96 0.00 3.30 0.00 0.00 3.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 224 A 7.67 4.06 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 0.00 225 P 0.00 4.29 0.00 2.18 2.13 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 226 L 7.64 3.90 0.00 1.76 1.86 0.93 0.85 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 0.00 227 V 7.74 3.57 2.25 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 1.11 0.00 0.00 1.04 0.00 0.00 228 R 8.40 4.35 0.00 2.05 2.08 0.00 3.24 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 229 E 8.66 3.90 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 230 A 8.08 4.00 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 0.00 231 M 8.34 3.85 0.00 0.75 1.38 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.35 0.00 232 A 8.35 4.17 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 0.00 233 G 8.39 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 0.00 234 A 7.63 4.39 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 0.00 235 G 7.83 3.97 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 0.00 0.00 0.00 236 F 7.98 4.76 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 0.00 237 R 9.21 4.80 0.00 1.81 1.91 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 238 P 0.00 4.57 0.00 1.89 1.77 0.00 3.70 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 2.10 2.34 0.00 239 L 7.74 4.70 0.00 1.47 1.68 1.00 0.92 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 0.00 240 E 7.21 4.81 0.00 1.92 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 2.13 2.15 0.00 241 E 8.91 5.18 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 242 A 8.92 4.93 1.20 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 0.00 0.00 243 A 8.45 5.16 1.20 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 0.00 0.00 244 E 9.53 4.51 0.00 1.98 1.85 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 2.28 2.30 0.00 245 G 8.41 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 E 8.74 4.21 0.00 1.42 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 2.24 2.09 0.00 247 W 8.02 5.51 0.00 3.47 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 0.00 248 V 8.94 5.06 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 0.88 0.00 0.00 1.03 0.00 0.00 249 L 9.11 5.10 0.00 1.66 1.49 0.91 0.65 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 0.00 250 L 9.29 4.96 0.00 1.71 1.40 1.06 0.74 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 0.00 251 A 8.13 5.11 1.10 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 0.00 0.00 252 Y 9.23 5.20 0.00 2.69 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 G 9.87 4.62 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 0.00 254 R 8.84 4.28 0.00 1.53 1.16 0.00 2.99 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.