NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.2612 8.2548 109.1353 45.2416 0.0000 176.5818 *2 K 4.4464 8.9461 127.9991 56.3397 34.0550 174.1295 3 I 5.0472 9.0842 126.9386 59.5170 39.5499 174.7367 4 A 5.5204 9.1798 129.5496 50.3946 21.5487 175.1068 5 L 5.3272 9.2981 123.4342 53.4108 45.1426 175.3853 6 I 5.1471 8.7297 125.8394 59.8296 41.2074 174.2226 7 I 4.9093 8.8938 128.0311 59.4679 40.6435 175.6667 8 E 4.5346 8.6884 124.7472 54.6466 31.7067 176.6789 9 N 4.3958 8.9049 116.1605 55.8848 37.3559 177.6328 10 S 4.2000 8.5951 113.0301 60.3504 63.3130 174.8867 11 Q 4.5644 8.0777 118.1326 55.3428 29.5806 177.0334 12 A 3.8862 7.9679 124.6549 55.2911 18.4109 180.5639 13 A 4.1472 7.9282 116.8447 54.2916 18.8023 178.0048 14 K 4.3457 7.9685 114.6285 56.3864 32.9838 177.9927 15 N 4.1666 8.0674 118.7916 56.6953 38.6964 176.4775 16 A 4.0852 7.9594 121.5760 55.1948 18.5924 179.6383 17 V 3.6077 7.7341 116.3224 66.1624 31.6527 178.3283 18 V 3.7391 7.8667 118.1213 66.1815 31.2595 177.5408 19 H 4.2477 8.8077 118.5833 59.0299 29.6740 176.7918 20 E 3.8397 8.7005 121.3722 59.3767 29.4217 178.5561 21 A 4.1162 8.1537 120.7030 55.1784 18.3871 179.4359 22 L 3.7369 8.3731 119.0879 58.5217 42.2577 179.3579 23 T 3.8722 8.1955 110.1683 65.0804 68.4814 176.5153 24 T 3.8679 7.9207 117.8172 66.1842 68.5063 176.0128 25 V 3.9967 7.4792 118.6398 65.1460 32.2505 177.7292 26 A 4.1689 8.3881 120.9219 55.1878 18.2905 179.3416 27 E 4.1459 8.0658 118.4270 58.6663 29.3839 177.9800 28 P 4.4584 0.0000 0.0000 64.6780 31.5255 177.6915 29 L 4.3663 7.7128 116.2845 54.7675 42.1943 177.2495 30 G 3.8021 8.4946 108.3431 45.9141 0.0000 172.6822 31 H 5.2026 7.8893 115.3263 53.8196 32.0143 173.6732 32 K 4.6163 8.4514 119.1972 54.6714 34.5957 175.2628 33 V 4.7428 8.0405 124.4260 61.1078 33.6448 174.4854 34 F 4.6076 9.4163 127.3721 55.8239 41.2005 174.3148 35 N 5.0624 8.7777 123.9870 52.6410 39.0729 173.8572 36 Y 4.3956 9.2356 124.2996 57.4439 38.9463 177.0742 37 G 2.7359 7.9142 109.3206 44.7116 0.0000 174.1370 *39 Y 4.9693 8.1762 114.8895 57.9128 39.9010 175.5504 40 T 4.6698 7.9189 107.6272 59.9322 71.9179 174.4477 41 A 4.1189 8.5760 124.3274 54.3988 18.4672 178.1686 42 E 4.5390 7.9958 113.8936 55.8187 29.9587 176.0635 43 D 4.5283 7.6876 119.4384 54.6161 41.3898 177.1084 44 K 3.9578 8.8063 122.8994 59.1063 32.2752 177.0990 45 A 4.3026 7.7661 122.3609 51.0987 17.5542 175.8907 46 S 4.6224 8.2224 115.8830 58.2814 63.8796 173.1233 47 L 4.9341 8.4216 125.1608 53.1616 44.9540 175.8464 48 T 4.9212 8.2467 112.7571 59.8448 70.9187 174.3289 49 Y 4.2692 8.4537 119.4016 59.9029 38.4839 178.2828 50 V 3.7184 6.7344 119.2250 63.2411 31.1313 177.3552 *52 N 4.6765 8.3929 117.6468 52.8018 40.6655 177.2383 53 G 3.5266 7.9224 104.9370 47.5637 0.0000 175.5453 54 L 3.8941 7.7085 122.6046 57.7030 42.0288 178.8276 55 L 3.7930 7.7850 119.4712 58.1070 42.0972 178.3474 56 A 3.9989 8.2607 121.1582 55.3346 18.2031 179.8960 57 G 3.4831 8.1029 103.9887 47.8550 0.0000 176.0410 58 I 3.7127 7.6949 122.1971 64.1658 37.1293 178.6136 59 L 4.0765 8.1221 120.0740 57.7823 41.3151 179.6475 60 L 4.1833 8.0515 118.9916 57.9517 41.4155 179.3185 61 N 4.3644 8.0623 115.4244 55.6448 38.9579 176.4473 62 S 4.3129 8.0567 112.6920 58.8737 63.7120 175.9143 63 G 3.9009 7.7003 108.2946 44.9272 0.0000 174.2302 64 A 3.9124 7.9088 121.5929 53.6355 18.5909 177.8524 65 A 4.7082 7.7484 117.1085 50.7789 22.2076 175.5333 66 D 4.8223 9.1098 120.7355 55.5943 42.2580 176.9019 67 F 5.0379 8.0760 119.5939 56.6330 43.2876 173.0201 68 V 4.9371 8.4607 125.2176 61.1054 34.6161 174.1188 69 V 4.8992 9.0950 128.0437 61.9746 33.3647 173.9597 70 T 5.2744 9.0895 124.2040 62.1170 70.9214 172.2713 71 G 4.1027 8.8835 107.2323 45.0600 0.0000 171.9317 *73 G 3.9901 8.1822 107.2498 45.2117 0.0000 174.7212 74 T 4.0960 7.9368 107.0909 60.4671 70.4786 173.8858 75 G 3.4072 7.7199 109.9804 45.9087 0.0000 174.4276 *77 G 3.0330 7.7941 108.9429 45.4352 0.0000 175.7673 78 S 4.5693 7.0105 112.2817 58.4915 62.0616 176.4993 *80 L 4.2013 8.1664 121.6765 54.8959 43.6368 179.3578 81 A 3.9954 8.2129 119.9670 55.1034 18.0295 179.5860 82 A 3.9354 7.8981 118.3009 55.2613 18.5917 179.1142 83 N 4.3983 7.4929 112.2229 54.4235 39.1487 175.9098 84 A 4.1935 7.4105 123.0397 50.7098 19.3623 175.4158 *86 P 3.8851 0.0000 0.0000 64.7035 32.6185 177.6416 87 G 4.0010 8.6171 107.1910 45.7486 0.0000 173.2133 88 V 4.2337 6.7348 118.1339 60.8111 33.0404 175.1303 89 F 4.7969 9.2905 126.0823 55.7892 40.9719 172.6521 90 C 4.9959 9.3962 124.4294 57.3859 32.8620 173.6380 91 G 3.4363 8.7097 114.1789 45.5370 0.0000 172.0305 92 L 5.0135 8.1726 123.2252 53.3494 43.1097 175.5061 93 V 4.1858 7.9926 126.5184 61.5745 32.9343 174.4092 94 I 4.1502 8.8175 127.9757 62.5291 38.8605 175.8979 95 D 5.0203 8.4904 118.5259 50.6651 43.3154 174.9551 96 P 4.3057 0.0000 0.0000 65.7225 31.0967 179.2155 97 T 3.8947 7.9040 114.4522 66.6266 68.4111 176.0271 98 D 4.3942 8.8971 121.0803 57.5874 40.8795 179.0564 99 A 4.0559 7.9956 120.8091 54.9741 18.5108 179.3648 100 F 4.0947 8.4840 119.3795 61.6449 39.4499 177.4616 101 L 3.7707 8.2910 118.7548 57.3645 41.3859 179.1395 102 F 4.6716 7.9685 122.3434 60.9152 39.3320 177.5733 103 G 3.6362 8.2231 105.1008 47.3823 0.0000 175.2076 104 Q 4.1906 7.5983 119.0388 57.0938 28.9312 177.6914 105 I 3.9548 7.7886 119.8313 62.9086 38.3122 176.9281 106 N 4.4880 7.7702 115.4698 52.1132 40.1966 174.3852 107 D 3.9929 8.0513 119.3045 54.8094 40.1595 172.7591 108 G 3.9686 6.4087 107.2086 45.3776 0.0000 172.7302 109 N 4.9298 8.5370 113.5417 52.1534 38.5848 173.9143 110 A 4.6245 7.3738 119.5190 51.0511 22.7621 175.6798 111 I 4.8854 8.9183 113.5337 59.1842 41.4638 174.2618 112 S 5.3957 9.2010 118.4398 54.7060 66.3868 170.5494 *114 P 4.1212 0.0000 0.0000 62.8309 31.7208 175.8867 115 Y 4.2415 8.3856 118.5969 58.0835 39.2359 175.5230 116 S 4.5388 8.0023 113.5059 59.8329 65.3310 174.0115 117 K 4.1851 8.2101 121.3397 57.4745 32.0398 177.0873 118 G 3.9066 8.9163 113.7808 45.9387 0.0000 173.8386 119 F 4.5247 7.9762 122.9766 56.1869 38.9194 176.3199 120 G 4.2139 7.5486 120.5515 43.7546 0.0000 170.7915 121 W 4.5244 8.9188 123.7746 58.5624 29.5604 175.6195 122 A 3.7208 9.0125 123.1907 53.0735 16.1086 178.9646 123 A 3.7788 7.7943 122.6571 55.7756 17.5867 180.4292 124 E 4.0828 7.8441 115.4030 59.0734 29.7655 179.1191 125 L 4.0511 7.8205 120.5671 57.4770 41.7574 178.5766 126 N 4.2887 7.9114 116.5775 56.3374 38.8091 176.7333 127 L 3.6402 7.7190 120.3502 57.7651 41.6436 179.4195 128 Q 4.0465 7.5733 117.0355 59.1536 28.4454 178.5999 129 D 4.3315 7.6733 118.5055 57.4076 41.1494 178.9419 130 V 3.6775 7.6944 118.6549 66.2635 31.5835 177.7784 131 Y 4.2387 7.8093 116.8307 61.1764 36.9551 178.8276 132 R 4.0950 8.5016 119.2723 58.8995 29.8685 179.0022 133 K 4.3856 7.8401 117.6589 58.7562 32.2629 178.7941 134 L 4.1192 7.4828 118.0605 56.1871 41.7850 177.5199 135 F 5.0445 7.6980 114.3197 56.9057 39.4770 174.5469 136 D 4.7051 7.8864 120.9102 53.5332 43.5923 175.5699 137 G 3.9668 9.1163 114.0118 45.2203 0.0000 173.0654 138 E 4.2210 8.2982 114.7271 55.5496 30.3637 175.6360 139 R 4.4110 8.4281 121.8860 55.1606 31.6632 175.9422 140 G 3.9023 8.5455 106.7222 46.8831 0.0000 174.8181 141 L 4.1636 8.3573 118.9391 53.9719 42.2285 176.9842 142 G 4.1626 8.6985 107.9991 45.7333 0.0000 172.8063 143 Y 4.6306 8.0293 120.7929 55.1324 41.9561 173.0011 144 P 3.2476 0.0000 0.0000 61.9189 32.2642 177.5016 145 R 3.4975 8.4026 121.0891 59.4413 30.1090 178.4934 146 E 4.0825 8.0240 115.4121 58.2399 29.4701 177.5059 147 R 4.4695 8.5729 117.8204 55.6188 30.7714 177.4577 148 A 4.0609 7.8896 123.2959 55.5013 18.6397 179.7208 149 E 4.1148 8.1489 114.7606 59.5224 30.0043 179.4744 150 I 3.5660 7.3970 114.5715 62.3095 36.8958 177.5706 *152 R 4.1889 8.0163 123.3418 56.3408 31.8118 177.7947 153 K 4.0975 8.0975 117.3242 59.3744 31.9134 179.1138 154 N 4.3285 8.3016 116.8686 56.3700 38.4432 177.6112 155 R 3.8716 7.9794 119.1363 59.1677 30.1572 179.2231 156 G 3.5505 7.6705 104.4580 47.7103 0.0000 175.9376 157 I 3.7307 7.7433 122.2513 64.0216 37.0281 178.3075 158 L 3.9578 8.0326 121.4250 58.2029 41.8885 179.2276 159 R 4.0538 7.9429 118.0712 59.2832 30.0368 178.9588 160 E 3.9836 8.1183 118.4881 59.0555 29.3261 178.9136 161 L 3.9317 8.1630 120.6380 58.2859 42.1287 179.0663 162 K 4.1469 8.2728 120.8198 59.1072 31.8940 178.4194 163 D 4.3658 8.2525 118.3364 57.2664 40.7652 178.2946 164 A 4.1749 7.8020 120.5446 54.3248 18.5664 179.0914 165 S 4.3741 7.7733 112.7317 59.3376 63.9211 174.1169 166 C 4.5472 7.7275 119.7902 57.7579 29.2074 173.9864 167 R 4.2928 8.2832 123.2002 55.6611 31.6035 179.4301 168 D 4.7657 7.9970 120.3483 52.8305 38.9806 178.8640 *170 L 4.1622 8.5816 116.2464 55.1184 43.8100 178.6993 171 T 3.7751 8.2392 115.3365 66.4387 68.2950 176.6939 172 V 3.5278 7.7287 120.0829 66.0923 31.3406 178.0201 173 L 3.9999 7.7254 116.8089 57.7738 41.5606 179.1813 174 K 4.0167 8.0025 118.5208 57.3977 32.1278 177.7516 175 T 4.4008 7.1742 107.1038 61.4594 70.1340 175.0882 176 V 3.8317 7.4656 115.7267 60.2756 32.5048 175.7198 177 D 4.3307 8.4957 120.0343 55.0610 41.7692 176.9794 178 Q 4.1739 8.7040 126.0742 58.2800 28.8831 178.0001 179 D 4.3432 8.1813 120.2450 56.6867 41.0682 178.1129 180 L 3.8331 8.4486 121.2902 57.9853 41.6808 178.6043 181 L 3.8526 7.7732 120.1543 58.4810 41.8030 179.1725 182 R 3.8600 7.8448 116.1100 59.2235 30.2980 178.6595 183 A 4.0636 8.0453 120.3939 54.8814 18.1605 179.5372 184 A 3.9626 7.8408 118.8600 54.1231 18.1416 178.3179 185 I 3.5208 6.8634 107.5226 60.3548 37.6661 176.9647 186 A 3.8890 7.5286 123.2001 53.4791 18.7382 178.9568 187 G 3.9761 7.5214 106.1379 45.3116 0.0000 174.7344 188 E 4.0743 9.0825 120.2574 58.4318 29.7230 177.8965 189 K 4.5153 8.0934 116.3775 55.8805 33.5386 177.2708 190 F 4.1513 8.6035 122.6166 61.4751 39.1794 176.8161 191 A 4.3512 8.3500 119.6194 55.4274 18.0946 178.9394 192 E 3.9449 8.2771 115.9530 59.3521 29.7756 178.2981 193 L 4.2794 7.5527 117.6244 57.1275 42.2099 178.4735 194 F 4.0354 8.3632 121.3026 60.8746 39.0601 176.6687 195 Y 3.8920 7.6455 115.5402 60.7395 37.6834 177.3719 196 P 4.3217 0.0000 0.0000 64.4459 31.7007 176.6411 197 N 4.5777 7.7885 114.7943 53.1857 39.7343 174.3220 198 C 3.8864 7.0116 119.5053 59.1936 31.5722 173.3259 199 K 4.1085 8.9050 126.6565 56.9937 32.5083 176.7786 200 D 4.7461 7.6047 118.7613 52.5330 41.8948 175.7386 201 D 4.4523 8.5766 128.0682 57.1311 40.9851 178.4312 202 A 4.0910 8.1115 121.0224 55.2536 18.4554 179.6318 203 I 3.8645 8.6230 118.4909 64.4581 37.1748 178.5204 204 A 4.5483 8.3457 121.7396 55.4991 18.3929 179.4965 205 N 4.3832 8.8444 115.5069 56.4258 38.0665 177.1577 206 Y 4.1139 7.9987 120.7048 60.6320 38.9558 177.8119 207 L 3.9858 8.2946 119.9659 57.9613 41.7932 179.7414 208 R 4.0317 8.5047 118.4134 59.1522 29.7332 179.2058 209 S 4.1657 7.6131 112.7722 60.9837 62.9667 176.0384 210 L 4.0123 7.3734 121.2513 55.6369 41.5498 176.9789 211 D 4.5624 7.1102 118.6101 53.3170 41.7370 176.2725 212 A 4.1491 8.3274 122.4377 52.6536 18.4363 177.6948 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 G 8.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 4.45 0.00 1.81 1.90 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.58 7.81 3 I 9.08 5.05 1.72 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.55 0.83 0.00 0.00 4 A 9.18 5.52 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 5 L 9.30 5.33 0.00 1.80 1.60 1.05 0.90 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 6 I 8.73 5.15 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.95 0.00 0.00 7 I 8.89 4.91 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.88 0.00 0.00 8 E 8.69 4.53 0.00 2.42 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 2.53 2.44 0.00 9 N 8.90 4.40 0.00 2.97 3.24 0.00 0.00 7.18 7.79 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 10 S 8.60 4.20 0.00 4.02 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 11 Q 8.08 4.56 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 12 A 7.97 3.89 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 13 A 7.93 4.15 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 14 K 7.97 4.35 0.00 1.76 1.61 0.00 1.37 0.00 0.00 1.05 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.28 7.81 15 N 8.07 4.17 0.00 2.70 2.91 0.00 0.00 7.02 8.24 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 16 A 7.96 4.09 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 17 V 7.73 3.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.00 0.00 0.00 18 V 7.87 3.74 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 1.07 0.00 0.00 0.44 0.00 0.00 19 H 8.81 4.25 0.00 3.31 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.70 3.84 0.00 2.17 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 2.34 2.34 0.00 21 A 8.15 4.12 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 22 L 8.37 3.74 0.00 1.83 1.87 0.26 0.73 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 23 T 8.20 3.87 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 1.12 0.00 0.00 24 T 7.92 3.87 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 1.24 0.00 0.00 25 V 7.48 4.00 2.36 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 1.02 0.00 0.00 1.15 0.00 0.00 26 A 8.39 4.17 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 27 E 8.07 4.15 0.00 2.16 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 2.40 2.15 0.00 28 P 0.00 4.46 0.00 2.03 2.12 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 29 L 7.71 4.37 0.00 1.85 1.67 1.16 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.89 5.20 0.00 3.04 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.45 4.62 0.00 1.80 1.34 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.26 7.81 33 V 8.04 4.74 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 0.88 0.00 0.00 0.81 0.00 0.00 34 F 9.42 4.61 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0.00 2.90 2.89 0.00 0.00 7.08 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 62 S 8.06 4.31 0.00 4.05 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 0.00 63 G 7.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.91 3.91 1.18 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 0.00 0.00 65 A 7.75 4.71 1.25 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 0.00 0.00 66 D 9.11 4.82 0.00 2.75 2.85 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 67 F 8.08 5.04 0.00 3.14 2.85 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 68 V 8.46 4.94 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 1.00 0.00 0.00 0.90 0.00 0.00 69 V 9.09 4.90 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 116 S 8.00 4.54 0.00 3.87 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 0.00 117 K 8.21 4.19 0.00 1.69 1.72 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 118 G 8.92 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 0.00 0.00 0.00 119 F 7.98 4.52 0.00 3.12 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 0.00 120 G 7.55 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 W 8.92 4.52 0.00 3.18 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 0.00 122 A 9.01 3.72 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 0.00 123 A 7.79 3.78 0.19 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 0.00 124 E 7.84 4.08 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 125 L 7.82 4.05 0.00 1.87 1.71 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.91 4.29 0.00 2.77 2.89 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.72 3.64 0.00 1.92 1.37 1.23 1.08 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 0.00 128 Q 7.57 4.05 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 129 D 7.67 4.33 0.00 2.81 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 0.00 130 V 7.69 3.68 1.94 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 1.01 0.00 0.00 0.92 0.00 0.00 131 Y 7.81 4.24 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.50 4.10 0.00 2.02 2.03 0.00 3.15 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 133 K 7.84 4.39 0.00 1.90 1.97 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.85 7.81 134 L 7.48 4.12 0.00 0.37 0.64 0.75 0.94 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 0.00 135 F 7.70 5.04 0.00 3.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.89 4.71 0.00 2.84 2.73 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 0.00 137 G 9.12 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 0.00 138 E 8.30 4.22 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 139 R 8.43 4.41 0.00 1.77 2.05 0.00 3.52 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 140 G 8.55 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.16 0.00 1.84 1.74 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.70 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 0.00 143 Y 8.03 4.63 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.25 0.00 2.01 1.54 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 145 R 8.40 3.50 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.25 0.00 146 E 8.02 4.08 0.00 2.15 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 2.31 1.90 0.00 147 R 8.57 4.47 0.00 1.84 1.88 0.00 3.13 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 148 A 7.89 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.15 4.11 0.00 1.99 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 2.38 2.26 0.00 150 I 7.40 3.57 2.02 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 1.17 0.63 0.90 0.00 0.00 *152 R 8.02 4.19 0.00 1.94 2.07 0.00 3.34 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 K 8.10 4.10 0.00 1.98 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.78 7.81 154 N 8.30 4.33 0.00 2.79 2.84 0.00 0.00 7.02 7.26 0.00 0.00 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 R 7.98 3.87 0.00 1.88 1.80 0.00 3.06 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 156 G 7.67 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.74 3.73 2.00 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 0.88 0.91 0.00 0.00 158 L 8.03 3.96 0.00 1.78 1.78 1.03 1.05 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 0.00 159 R 7.94 4.05 0.00 2.01 1.99 0.00 3.14 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 160 E 8.12 3.98 0.00 2.20 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 2.33 2.55 0.00 161 L 8.16 3.93 0.00 1.87 1.93 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.27 4.15 0.00 2.14 1.99 0.00 1.58 0.00 0.00 1.20 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.33 7.81 163 D 8.25 4.37 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.80 4.17 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 0.00 165 S 7.77 4.37 0.00 4.01 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 0.00 166 C 7.73 4.55 0.00 3.05 2.85 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 0.00 167 R 8.28 4.29 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.00 4.77 0.00 2.81 2.37 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 *170 L 8.58 4.16 0.00 1.74 1.87 0.85 0.73 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 0.00 171 T 8.24 3.78 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 1.16 0.00 0.00 172 V 7.73 3.53 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 0.96 0.00 0.00 173 L 7.73 4.00 0.00 1.59 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.00 4.02 0.00 1.67 1.69 0.00 1.41 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.90 7.81 175 T 7.17 4.40 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 176 V 7.47 3.83 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 0.67 0.00 0.00 1.00 0.00 0.00 177 D 8.50 4.33 0.00 2.68 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 0.00 178 Q 8.70 4.17 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 179 D 8.18 4.34 0.00 2.84 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 0.00 180 L 8.45 3.83 0.00 1.68 1.80 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.77 3.85 0.00 1.79 1.78 0.85 1.18 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 0.00 182 R 7.84 3.86 0.00 1.89 1.92 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 1.59 1.81 0.00 183 A 8.05 4.06 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 7.84 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 I 6.86 3.52 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.20 0.00 0.00 186 A 7.53 3.89 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 0.00 187 G 7.52 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 0.00 188 E 9.08 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 189 K 8.09 4.52 0.00 1.88 1.83 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.64 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.15 7.81 190 F 8.60 4.15 0.00 3.31 3.29 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 0.00 191 A 8.35 4.35 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 0.00 192 E 8.28 3.94 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 193 L 7.55 4.28 0.00 1.21 1.38 0.22 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.36 4.04 0.00 1.95 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 0.00 0.00 0.00 195 Y 7.65 3.89 0.00 3.05 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 0.00 196 P 0.00 4.32 0.00 2.02 2.11 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 197 N 7.79 4.58 0.00 2.50 2.55 0.00 0.00 6.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.01 3.89 0.00 1.45 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 0.00 199 K 8.90 4.11 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 200 D 7.60 4.75 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.58 4.45 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.11 4.09 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 0.00 203 I 8.62 3.86 2.16 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 1.52 1.05 1.13 0.00 0.00 204 A 8.35 4.55 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.84 4.38 0.00 2.95 2.96 0.00 0.00 6.66 7.03 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 0.00 206 Y 8.00 4.11 0.00 3.16 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 0.00 207 L 8.29 3.99 0.00 2.06 1.84 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.50 4.03 0.00 2.07 1.94 0.00 3.02 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.00 209 S 7.61 4.17 0.00 3.97 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 0.00 210 L 7.37 4.01 0.00 1.64 1.65 0.79 0.79 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 0.00 211 D 7.11 4.56 0.00 2.79 2.58 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 0.00 212 A 8.33 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.