NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2418 8.4293 116.7548 56.2435 31.1334 176.0227 11 H 4.5524 7.5492 116.1469 55.4014 31.0797 173.1242 12 A 3.9582 8.4538 119.0142 54.9689 19.5516 180.7004 13 K 3.7526 8.0594 117.4992 59.5663 32.0139 178.7095 14 A 4.0926 7.9771 120.4566 55.1901 18.4540 179.3504 15 F 4.4936 7.2884 114.8068 60.7161 39.0853 177.8608 16 L 4.3058 8.3749 118.9615 57.8677 41.5380 179.5384 17 G 3.7011 7.8563 105.5749 47.9635 0.0000 175.5340 18 L 4.1740 8.3339 120.4683 56.8674 41.3333 179.4230 19 A 4.0504 8.1532 121.5944 55.1018 18.4930 179.8520 20 K 3.9968 8.0069 116.4862 59.5533 32.1461 179.3064 21 C 4.1566 8.1186 117.3629 62.8005 28.0814 175.6841 22 E 3.9816 7.9637 120.6999 59.3345 29.3057 178.7477 23 E 4.0543 7.9188 118.5529 59.1017 29.5626 178.7908 24 E 4.0168 8.1823 119.5788 58.8372 29.5965 179.1010 25 V 3.5878 7.7387 118.7031 66.0614 31.5254 177.7607 26 D 4.3612 8.1149 118.4044 57.3287 40.6042 178.7104 27 A 4.0385 7.9899 121.0164 55.0800 18.2731 179.7855 28 I 4.0680 7.5824 119.6655 64.1085 37.1655 178.4350 29 E 3.9666 8.3757 119.5395 59.4938 29.1895 179.4823 30 R 4.2734 7.7914 120.1930 58.7373 30.0140 178.3242 31 E 3.9979 8.2517 118.6261 59.3871 29.4448 179.5084 32 V 3.6404 8.1487 118.5705 66.0324 31.1309 177.9887 33 E 4.0037 8.2463 118.3693 59.4712 29.2449 179.3656 34 L 4.0661 8.3725 119.4258 57.7265 41.7427 178.8679 35 Y 4.0673 8.3859 119.8884 60.6626 38.5363 178.1738 36 R 3.7286 7.9448 118.0312 59.4659 30.3186 177.8902 37 L 3.9246 7.7479 117.4223 58.0843 41.7142 179.1036 38 N 4.5250 8.0932 115.1463 56.0296 39.0051 177.1971 39 K 4.0381 7.4964 117.7956 56.6346 32.1564 178.9447 *41 K 4.4345 7.9830 121.6772 56.0160 33.9300 176.1603 42 P 4.6155 0.0000 0.0000 65.2227 31.0995 178.4878 43 V 3.5473 7.1647 116.7306 66.0203 31.3982 177.6203 44 Y 4.4190 7.7845 116.0365 61.1611 37.3199 178.1820 45 E 4.0475 8.3648 119.5148 59.5374 29.2989 179.6814 46 K 3.9051 8.1256 118.5049 59.1676 32.1050 179.5325 47 R 4.0804 8.4357 119.4646 59.6855 30.1386 178.3773 48 D 4.4138 8.8723 118.2473 56.7205 40.4877 178.5684 49 A 3.9401 7.2448 120.9380 55.1076 18.6203 178.9269 50 Y 4.2463 7.5379 114.8604 61.1279 37.9885 178.1592 51 I 3.1020 7.6974 120.7999 64.1157 36.9132 177.7088 52 D 4.5736 7.8069 117.2885 55.7773 40.6207 176.6827 53 E 4.4533 7.6688 118.1303 55.8235 30.1446 175.6851 54 I 4.2792 7.6311 121.5426 58.9078 38.1185 175.0051 55 A 4.1709 8.5716 128.8404 53.5684 18.9214 176.4869 56 E 3.9805 9.2207 119.2784 57.4059 27.7421 176.3829 57 F 3.9681 8.1273 122.2401 61.5541 39.1917 177.3071 58 W 4.2510 8.2218 117.7985 59.4571 28.8303 178.2747 59 K 4.0915 8.2761 119.3038 59.6415 31.7205 178.7929 60 I 3.7017 7.8314 120.0561 64.2683 37.1641 178.5840 61 V 3.4595 7.6430 119.0292 66.0965 31.1599 178.1675 62 L 3.7938 8.1267 117.5104 57.6208 41.4076 179.2990 63 S 4.3943 7.7453 114.2498 61.1988 62.9666 176.0414 64 Q 4.0904 7.9598 121.6490 57.8907 29.1375 176.1463 65 H 3.7701 7.2962 119.7087 55.7228 30.2553 175.6805 66 V 3.8445 8.2778 126.2489 63.9535 31.6801 176.7353 67 S 4.7049 8.0647 111.8459 56.7243 64.7936 175.2111 68 F 3.9919 8.9511 123.5304 61.8657 38.6622 176.6060 69 A 4.1122 8.3916 119.3122 55.3087 17.9276 178.6564 70 N 4.4598 8.0896 113.0117 55.3066 38.6633 176.1846 71 Y 4.1485 7.7186 117.8033 57.7199 38.5410 174.8441 72 I 4.5319 6.4190 110.2914 58.3848 40.5654 175.1216 73 R 4.2080 8.3317 118.7048 55.3861 30.8653 177.6244 74 A 4.2283 8.8910 123.3717 55.7836 18.0411 180.4364 75 S 4.2794 8.1826 111.4607 61.2777 63.1711 176.1545 76 D 4.7243 8.5182 123.3272 57.1915 40.2514 178.2255 77 F 4.2030 7.7683 118.0859 60.5202 38.9409 177.4626 78 K 4.1331 7.4012 117.5839 59.5622 32.7446 176.6936 79 Y 4.3708 7.4355 117.6138 58.5600 37.9801 176.9654 *81 D 4.7694 8.1395 121.0470 54.4662 43.0607 176.6543 82 T 4.0644 7.8268 107.8021 61.4712 69.1379 174.3020 83 I 4.2752 7.7959 124.1249 62.0015 37.2105 175.2068 84 D 4.9899 8.7689 125.9048 55.1997 42.2653 176.8906 85 K 4.7298 7.5531 117.5630 55.4195 35.6701 174.0684 86 I 4.4862 8.0566 126.5350 59.0967 40.5952 174.6909 87 K 4.1793 8.3144 127.1596 54.5479 35.4017 174.7034 88 V 4.2194 6.4468 126.8953 60.7814 33.4076 174.3842 89 E 4.6599 8.3496 126.4670 54.2245 33.3521 175.0865 90 W 4.7450 9.0487 124.2701 55.7002 30.0076 177.4882 91 L 3.9329 8.6183 124.3885 57.2784 40.5018 179.2979 92 A 4.5699 8.1218 121.6375 54.2096 18.1177 179.0702 93 L 3.8828 7.8287 116.0923 57.0784 41.7615 178.4537 94 E 4.3511 8.2789 118.2610 57.4249 30.0293 176.4781 95 S 4.6002 7.2906 110.0385 57.1869 66.3950 175.3820 96 E 4.4690 8.6365 125.6256 56.3411 27.4974 176.0998 *98 Y 4.4911 7.2577 115.9027 58.2658 39.9167 175.4121 99 D 4.6744 9.1424 122.9501 54.1433 41.9121 177.4602 100 T 4.1894 8.5591 114.3622 63.8533 68.9089 175.1698 101 R 4.5374 8.6698 120.8087 57.3564 30.9421 176.3376 102 D 5.0181 8.3833 120.0642 54.2960 42.1310 175.4709 103 F 5.1346 8.6598 116.6934 55.7900 41.8332 172.9323 104 S 4.9714 8.8309 114.3708 56.4679 66.1499 172.7479 105 I 4.6769 8.7987 121.6884 59.5678 41.1610 173.8281 106 T 4.9907 8.5984 126.2056 61.7522 71.0871 173.2598 107 F 4.9541 9.4379 124.8329 55.6907 42.4526 173.6838 108 H 5.1946 8.6399 122.7345 54.4191 32.3732 172.3345 109 F 5.3691 9.1671 125.3354 56.1139 40.6856 176.3084 110 H 4.4012 9.4555 119.6458 55.9589 29.2306 176.5702 111 G 3.9954 8.4647 107.7199 44.9903 0.0000 172.5637 112 I 4.6083 8.8133 118.5418 58.8847 40.0164 175.1141 113 E 4.0073 9.0548 126.2463 58.0853 29.5638 177.1174 114 G 4.0454 9.4493 113.4499 45.8930 0.0000 172.7910 115 D 4.6485 7.9076 116.2351 54.8150 45.2677 174.5081 116 F 5.2728 8.8050 121.5837 56.0315 42.4846 174.0092 117 K 4.2394 8.3776 127.6929 55.9390 32.9775 175.8548 118 E 4.2590 8.5603 128.4301 56.3941 30.2826 175.5841 119 Q 4.6686 8.8389 123.1739 55.4537 32.5162 172.5032 120 Q 5.1940 8.6859 121.3242 54.4400 31.5478 174.7572 121 V 4.5736 9.1527 125.6778 61.4552 35.2783 173.9340 122 T 5.1572 8.6742 123.3589 61.6276 71.2275 173.1023 123 K 4.4512 9.1197 127.6795 54.3914 34.9786 174.5696 124 V 4.4624 7.7608 125.8188 60.9559 34.2005 173.9097 125 F 5.2527 8.5751 126.7210 55.5663 41.8249 174.3603 126 Q 5.1308 9.1012 120.6417 54.5834 32.2951 174.1711 127 I 4.5987 9.3476 122.9934 61.6080 38.1249 175.6774 128 K 4.5832 8.9733 124.3616 55.7468 36.2427 175.9736 129 K 3.9374 8.8169 118.1892 58.2775 30.6446 174.5261 *137 G 3.8630 7.5744 109.9435 45.2871 0.0000 171.8349 138 I 4.8893 7.9524 111.4776 58.5633 41.2638 174.8919 139 L 4.9946 8.7809 123.5835 55.3762 42.4468 176.2257 140 T 4.9968 9.1152 112.0227 60.8541 73.1819 171.9166 141 S 4.9206 8.4037 115.2001 58.2310 66.4342 172.1989 142 E 4.8019 8.0889 119.8990 53.4017 32.6185 174.7272 143 P 4.7264 0.0000 0.0000 62.7670 32.2172 176.1873 144 V 4.5385 8.1075 121.8010 59.0221 34.1092 173.9447 145 P 4.4147 0.0000 0.0000 62.9959 31.8833 175.7505 146 I 4.3109 7.8687 120.2447 59.9169 40.7376 174.0327 147 E 4.2819 9.2803 128.4976 55.0614 28.6120 176.8375 148 W 3.4406 8.6396 123.9145 55.4877 30.0029 174.8924 149 P 4.4043 0.0000 0.0000 62.2428 31.5134 177.9002 150 Q 4.1833 9.0227 121.1116 59.2449 28.8287 179.4581 151 S 4.2803 8.2135 113.2676 61.3480 63.0561 174.6285 152 Y 4.8002 8.0773 116.7250 57.7987 38.0965 176.7353 153 D 4.4232 8.3335 122.9865 57.6796 41.0207 179.4152 154 S 4.2338 8.1622 111.6225 60.0993 63.6462 174.6326 155 I 4.3466 7.9594 113.9020 60.2660 37.8917 174.1973 156 N 3.9736 7.7646 121.9155 52.2270 38.8339 174.1170 157 P 4.3154 0.0000 0.0000 65.5737 31.3896 176.7299 158 D 4.4935 8.0650 116.8368 54.2752 40.9798 176.4729 159 L 4.4222 7.3063 119.5810 52.6379 42.4824 175.8796 *161 K 4.2041 8.4298 122.5807 55.4123 34.1321 175.7648 162 D 4.7280 7.7794 119.5290 52.5922 40.9301 175.6197 163 K 4.2729 8.2293 125.5016 57.5667 33.6881 178.8387 164 R 3.9250 8.0246 116.9429 59.1652 30.3965 176.8517 165 S 4.1503 7.8158 112.7116 57.5858 62.9571 173.6741 166 P 4.4357 0.0000 0.0000 65.1940 31.2470 177.7744 167 E 4.0172 8.1680 119.5870 57.9935 30.3594 178.5929 168 G 4.1721 7.9031 106.9005 47.2924 0.0000 175.7457 169 K 4.0655 8.4728 121.7363 58.9525 32.1090 179.3867 170 K 3.9838 7.6946 119.4686 59.5953 32.2225 179.1743 171 K 4.8839 7.8095 119.9691 58.9236 31.6940 178.7388 172 Y 4.0480 8.5149 119.4608 60.9708 38.8663 178.1467 173 R 4.0763 8.0683 117.3854 59.2409 30.4268 178.8158 174 Q 4.2973 7.9892 117.5344 58.7454 28.8040 181.0150 175 G 4.5923 7.9340 107.8469 44.1374 0.0000 174.9134 *177 K 4.3330 8.0132 119.1585 55.4830 34.1738 176.8846 178 T 4.5700 7.8703 110.9264 60.7138 71.2595 175.3408 179 I 3.2479 8.4621 121.4880 64.1824 37.4716 178.1320 180 F 4.1480 7.0945 117.8851 59.9906 38.3886 177.8177 181 G 3.9246 8.1335 105.8396 47.3917 0.0000 175.6003 182 W 3.9932 7.5853 130.5108 60.2361 30.5863 177.9773 183 F 3.7200 7.9874 117.4261 59.0794 38.0409 176.5551 184 R 4.5257 7.5762 113.2369 55.2036 29.8528 176.3516 185 W 4.3318 7.9567 129.5195 58.0742 31.4063 175.6406 186 T 4.1777 7.0598 110.5426 59.1433 69.9674 175.8822 187 G 3.1646 7.0529 108.9464 44.9967 0.0000 173.6135 188 L 4.3964 7.1851 117.9783 54.5813 42.7028 176.9922 189 K 4.5696 7.1152 117.4697 53.3332 32.4597 173.5748 190 P 4.2204 0.0000 0.0000 64.3126 31.9930 177.5272 191 G 4.0136 9.0828 110.7625 45.6680 0.0000 173.6797 192 K 4.4813 8.2257 117.5654 56.1453 33.1766 175.1267 193 E 4.9384 7.8098 117.3522 53.5157 32.8937 174.6788 194 F 4.1369 9.2924 120.5429 58.6024 39.5037 173.3606 195 P 4.1644 0.0000 0.0000 64.1482 31.8721 175.8218 196 H 4.2165 8.8956 119.0593 56.6961 26.6303 177.2798 197 G 3.1296 8.2426 107.2055 47.5121 0.0000 174.9854 198 D 3.9498 7.5866 120.9336 56.3541 39.6801 178.7421 199 S 4.0969 8.0057 116.1938 61.0818 62.8827 176.2689 200 L 3.0042 7.8124 122.8885 57.5755 41.7430 178.7840 201 A 4.0923 7.6647 120.5907 55.5010 18.1884 179.8807 202 S 4.1376 8.1040 115.0241 60.8564 62.7651 176.5939 203 L 3.8235 7.7257 123.2856 58.0805 41.6418 179.2097 204 F 4.0964 7.7932 117.7742 60.6579 39.0735 177.9269 205 S 3.8164 7.9302 113.5072 60.3047 62.5450 175.3764 206 E 4.6054 8.4275 120.5965 56.3194 30.7686 175.4614 207 E 4.8389 7.8483 115.2580 58.1622 31.9725 178.0047 208 I 3.8258 8.3957 119.4549 64.8641 37.5022 178.2766 209 Y 4.3573 8.3207 119.8841 60.2955 38.8684 175.1938 210 P 4.3322 0.0000 0.0000 65.0785 31.6446 177.8851 211 F 5.2230 8.0713 115.5351 57.3971 39.4658 177.2832 212 C 4.3351 7.9668 117.0984 61.9005 29.0520 175.9107 213 V 3.8370 7.9847 120.0453 65.7582 31.2185 177.9934 214 K 3.9678 8.1480 117.7990 59.6035 31.9072 178.8340 215 Y 4.0524 7.9806 117.0291 61.1133 37.9115 177.7398 216 Y 3.8643 8.4208 120.5918 60.6215 38.9000 177.9537 217 A 3.9491 8.4654 122.0526 55.1587 17.9465 179.1574 218 E 3.8036 8.1493 117.5039 59.4234 29.4855 178.9728 219 A 4.0706 7.5875 119.5697 54.7353 18.6247 179.3642 220 Q 3.9107 7.5190 116.5860 59.0433 28.6707 178.7526 221 R 3.9875 7.8339 117.8095 58.7558 29.9888 177.4773 222 D 4.7147 7.5591 119.1755 54.3222 41.3912 177.0522 223 L 4.0001 7.6963 126.0058 54.8753 41.4939 177.4635 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 10 E 8.43 4.24 0.00 2.01 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 2.13 1.88 0.00 11 H 7.55 4.55 0.00 3.27 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.45 3.96 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 13 K 8.06 3.75 0.00 1.69 1.50 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.58 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.49 7.81 14 A 7.98 4.09 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 15 F 7.29 4.49 0.00 3.06 3.05 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 16 L 8.37 4.31 0.00 1.90 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.86 3.70 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 0.00 0.00 0.00 18 L 8.33 4.17 0.00 1.95 1.76 1.04 0.76 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 19 A 8.15 4.05 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 20 K 8.01 4.00 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 21 C 8.12 4.16 0.00 3.17 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 22 E 7.96 3.98 0.00 2.03 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 2.32 2.36 0.00 23 E 7.92 4.05 0.00 2.19 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 2.34 2.56 0.00 24 E 8.18 4.02 0.00 2.19 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 2.31 2.32 0.00 25 V 7.74 3.59 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 0.99 0.00 0.00 0.97 0.00 0.00 26 D 8.11 4.36 0.00 2.91 2.72 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 27 A 7.99 4.04 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 28 I 7.58 4.07 2.03 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 1.91 1.92 0.90 0.00 0.00 29 E 8.38 3.97 0.00 2.16 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 2.57 2.49 0.00 30 R 7.79 4.27 0.00 1.87 1.95 0.00 3.20 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 31 E 8.25 4.00 0.00 2.24 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 2.35 2.65 0.00 32 V 8.15 3.64 2.26 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 1.07 0.00 0.00 0.93 0.00 0.00 33 E 8.25 4.00 0.00 2.25 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 2.36 2.74 0.00 34 L 8.37 4.07 0.00 1.97 1.79 0.98 0.86 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 35 Y 8.39 4.07 0.00 3.17 3.21 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 36 R 7.94 3.73 0.00 1.87 2.07 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 1.49 1.59 0.00 37 L 7.75 3.92 0.00 1.77 1.72 0.99 0.78 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 38 N 8.09 4.53 0.00 2.82 2.80 0.00 0.00 7.13 8.29 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 39 K 7.50 4.04 0.00 1.68 1.59 0.00 1.47 0.00 0.00 1.17 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 0.88 7.81 *41 K 7.98 4.43 0.00 2.02 1.87 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.58 7.81 42 P 0.00 4.62 0.00 2.28 2.28 0.00 4.05 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 2.15 1.84 0.00 43 V 7.16 3.55 1.80 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 0.99 0.00 0.00 0.82 0.00 0.00 44 Y 7.78 4.42 0.00 3.39 3.11 0.00 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0.00 61 V 7.64 3.46 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 1.04 0.00 0.00 0.09 0.00 0.00 62 L 8.13 3.79 0.00 1.75 1.62 0.89 -0.02 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 63 S 7.75 4.39 0.00 3.93 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 64 Q 7.96 4.09 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 65 H 7.30 3.77 0.00 2.74 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.28 3.84 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 0.80 0.00 0.00 0.95 0.00 0.00 67 S 8.06 4.70 0.00 4.08 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 68 F 8.95 3.99 0.00 2.87 3.16 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 69 A 8.39 4.11 1.57 0.00 0.00 0.00 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9.15 4.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.88 0.00 0.00 122 T 8.67 5.16 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 1.11 0.00 0.00 123 K 9.12 4.45 0.00 1.70 1.39 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.91 7.81 124 V 7.76 4.46 1.84 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 0.73 0.00 0.00 0.76 0.00 0.00 125 F 8.58 5.25 0.00 1.66 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 0.00 126 Q 9.10 5.13 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 127 I 9.35 4.60 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 1.00 0.00 0.00 128 K 8.97 4.58 0.00 1.70 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 129 K 8.82 3.94 0.00 1.84 2.09 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.38 7.81 *137 G 7.57 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 0.00 138 I 7.95 4.89 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 1.00 0.00 0.00 139 L 8.78 4.99 0.00 1.85 2.03 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 T 9.12 5.00 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 1.30 0.00 0.00 141 S 8.40 4.92 0.00 3.53 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 0.00 142 E 8.09 4.80 0.00 1.72 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 2.11 2.19 0.00 143 P 0.00 4.73 0.00 1.93 2.01 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 144 V 8.11 4.54 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 0.87 0.00 0.00 1.00 0.00 0.00 145 P 0.00 4.41 0.00 2.05 2.03 0.00 3.70 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 2.02 2.07 0.00 146 I 7.87 4.31 1.49 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 1.00 0.00 0.00 147 E 9.28 4.28 0.00 2.00 1.84 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 2.30 2.35 0.00 148 W 8.64 3.44 0.00 2.97 2.84 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 0.00 149 P 0.00 4.40 0.00 1.03 0.96 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 150 Q 9.02 4.18 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 151 S 8.21 4.28 0.00 4.03 4.18 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 0.00 152 Y 8.08 4.80 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 0.00 153 D 8.33 4.42 0.00 2.88 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 0.00 154 S 8.16 4.23 0.00 3.99 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 0.00 155 I 7.96 4.35 2.08 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.93 0.00 0.00 156 N 7.76 3.97 0.00 2.69 2.64 0.00 0.00 6.95 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 0.00 157 P 0.00 4.32 0.00 2.22 2.09 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 158 D 8.07 4.49 0.00 2.53 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 0.00 159 L 7.31 4.42 0.00 1.50 1.52 0.85 0.58 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 *161 K 8.43 4.20 0.00 1.76 1.90 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.58 7.81 162 D 7.78 4.73 0.00 2.71 2.55 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 0.00 163 K 8.23 4.27 0.00 1.63 1.54 0.00 1.67 0.00 0.00 1.32 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 164 R 8.02 3.92 0.00 1.77 1.95 0.00 3.22 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 165 S 7.82 4.15 0.00 3.82 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 0.00 166 P 0.00 4.44 0.00 2.26 2.30 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 167 E 8.17 4.02 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 168 G 7.90 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 0.00 0.00 0.00 0.00 169 K 8.47 4.07 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.86 7.81 170 K 7.69 3.98 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 171 K 7.81 4.88 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.49 7.81 172 Y 8.51 4.05 0.00 2.99 3.21 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 0.00 173 R 8.07 4.08 0.00 2.12 2.02 0.00 3.26 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 174 Q 7.99 4.30 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 175 G 7.93 4.59 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 0.00 *177 K 8.01 4.33 0.00 1.93 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.65 7.81 178 T 7.87 4.57 4.61 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 1.17 0.00 0.00 179 I 8.46 3.25 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 -0.09 0.00 0.00 180 F 7.09 4.15 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 G 8.13 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 0.00 182 W 7.59 3.99 0.00 1.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 7.99 3.72 0.00 3.33 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 0.00 184 R 7.58 4.53 0.00 2.03 2.19 0.00 3.27 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.71 0.00 185 W 7.96 4.33 0.00 3.36 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 0.00 186 T 7.06 4.18 4.07 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 1.10 0.00 0.00 187 G 7.05 3.16 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 0.00 188 L 7.19 4.40 0.00 1.51 1.61 0.83 0.51 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 0.00 189 K 7.12 4.57 0.00 1.67 1.67 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 190 P 0.00 4.22 0.00 2.06 2.10 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 191 G 9.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.23 4.48 0.00 1.88 1.92 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.55 7.81 193 E 7.81 4.94 0.00 2.18 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 2.24 2.42 0.00 194 F 9.29 4.14 0.00 3.20 3.39 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 0.00 195 P 0.00 4.16 0.00 1.69 1.73 0.00 3.00 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 196 H 8.90 4.22 0.00 3.42 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 D 7.59 3.95 0.00 3.00 3.21 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 0.00 199 S 8.01 4.10 0.00 4.26 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 0.00 200 L 7.81 3.00 0.00 1.28 1.37 -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.66 4.09 0.56 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 0.00 202 S 8.10 4.14 0.00 3.98 4.10 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 0.00 203 L 7.73 3.82 0.00 1.51 1.17 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 204 F 7.79 4.10 0.00 3.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 S 7.93 3.82 0.00 3.20 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 0.00 206 E 8.43 4.61 0.00 2.00 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 2.31 2.47 0.00 207 E 7.85 4.84 0.00 2.28 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 0.00 2.56 2.44 0.00 208 I 8.40 3.83 1.87 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.94 1.10 0.00 0.00 209 Y 8.32 4.36 0.00 2.84 3.05 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 0.00 210 P 0.00 4.33 0.00 1.08 1.73 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 211 F 8.07 5.22 0.00 3.32 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 0.00 212 C 7.97 4.34 0.00 3.04 3.75 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 0.00 213 V 7.98 3.84 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 1.24 0.00 0.00 0.99 0.00 0.00 214 K 8.15 3.97 0.00 1.84 1.61 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.48 1.59 7.81 215 Y 7.98 4.05 0.00 3.23 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 0.00 216 Y 8.42 3.86 0.00 2.69 3.15 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 0.00 0.00 0.00 217 A 8.47 3.95 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 0.00 218 E 8.15 3.80 0.00 2.12 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 2.29 2.29 0.00 219 A 7.59 4.07 1.26 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 0.00 220 Q 7.52 3.91 0.00 2.14 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 1.96 2.29 0.00 221 R 7.83 3.99 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 222 D 7.56 4.71 0.00 2.75 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 0.00 223 L 7.70 4.00 0.00 1.82 1.49 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.