NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 3.9255 8.1233 123.5483 51.8643 20.7548 178.6829 13 K 3.9447 7.8208 114.7788 57.9790 32.0522 177.5323 14 A 4.0815 8.7510 122.6821 55.1952 19.1010 179.0155 15 F 4.1639 8.6993 115.9231 60.7767 39.0411 177.5586 16 L 4.1577 8.0434 120.2822 57.9587 41.8949 179.3207 17 G 3.6205 7.9505 105.7210 47.7638 0.0000 175.7336 18 L 4.0110 8.5017 121.8180 57.3902 41.6979 179.4082 19 A 4.0052 8.1926 120.7352 55.2178 18.3359 179.8955 20 K 3.9899 7.9802 116.4536 59.7621 32.0261 179.4472 21 C 4.1871 8.1454 117.0594 62.8608 28.0218 175.9993 22 E 3.9649 8.3995 120.2581 59.4364 29.0848 179.2836 23 E 4.0003 8.1013 118.2549 59.3586 29.4170 179.0266 24 E 3.9798 8.2406 119.4793 58.9885 29.5891 179.0093 25 V 3.5766 7.9659 118.6991 66.1619 31.7232 177.8064 26 D 4.3419 8.1925 118.4279 57.2599 40.6135 178.6611 27 A 4.0470 8.0068 121.2098 55.2138 18.2909 179.8053 28 I 3.7075 8.1430 118.7177 64.5100 37.1733 178.4969 29 E 3.9711 8.4670 119.7194 59.3609 29.1661 179.4561 30 R 4.1075 7.9480 118.3655 59.3238 30.1410 178.0760 31 E 3.9496 8.2395 119.2494 59.3285 29.5677 179.0472 32 V 3.6261 8.1553 118.5255 66.0544 31.5312 177.8738 33 E 3.9855 8.3452 118.3391 59.5039 29.2294 179.4105 34 L 4.0201 8.3748 119.3873 57.7165 41.6848 178.8642 35 Y 4.0680 8.1929 119.7274 60.6422 38.5193 178.2263 36 R 3.7066 8.0055 118.2656 59.3758 30.3200 177.9460 37 L 3.9442 7.7582 117.5544 58.1191 41.7357 179.1743 38 N 4.5381 8.1692 115.1271 55.8866 38.5788 176.8798 39 K 4.0599 7.4281 118.1343 56.6734 32.2549 178.9305 *41 K 4.4310 7.9935 121.1396 56.0107 33.9866 176.0908 42 P 4.5006 0.0000 0.0000 65.7486 31.0521 178.5180 43 V 3.5059 7.1619 115.4533 66.1366 31.4835 177.6440 44 Y 4.4339 7.8258 115.9898 61.1334 37.5227 178.3140 45 E 4.0623 8.1717 118.7942 59.3786 30.0020 179.3010 46 K 3.9903 8.0539 118.5040 59.2340 32.1539 179.2772 47 R 4.0584 8.4246 119.3913 59.8653 30.0842 178.3826 48 D 4.4241 8.7974 118.1950 56.8677 40.4714 178.7458 49 A 4.0552 7.3869 120.6839 55.3062 18.6673 178.9667 50 Y 4.2344 7.5410 114.7822 61.1210 38.0233 178.3656 51 I 3.0792 7.6309 120.8744 64.0650 36.9130 177.6153 52 D 4.5640 7.8397 117.0782 55.7824 40.6491 177.2369 53 E 4.5272 7.8551 118.4391 55.4287 30.0658 175.6109 54 I 4.2010 7.1062 121.0442 59.1937 38.0536 175.0689 55 A 4.1819 8.5536 129.1696 53.2935 19.0290 176.4045 56 E 3.9361 9.1349 119.7247 57.4304 27.6257 176.4547 57 F 3.8166 7.8811 120.7009 61.6091 39.1436 177.2049 58 W 4.2239 8.1817 117.7236 59.3970 28.7967 178.2762 59 K 4.0138 8.2778 119.3503 59.6934 31.6896 178.7896 60 I 3.7236 7.9186 120.0171 64.2570 37.0509 178.6111 61 V 3.4741 7.6034 119.0694 66.0493 31.1515 178.1843 62 L 3.7584 8.0291 117.6077 57.4210 41.4473 179.0771 63 S 4.2981 7.5938 114.1080 60.3690 63.1656 175.7249 64 Q 4.0913 7.8050 122.3853 57.4616 29.0039 175.3863 65 H 3.8642 7.4110 119.6694 55.8088 30.4300 175.4615 66 V 3.7886 8.2537 126.3241 64.0852 31.7430 177.0302 67 S 4.6509 8.0121 113.0689 58.0413 64.8746 175.4455 68 F 4.1257 8.8160 123.3270 61.7112 38.6602 176.7218 69 A 3.9939 8.1126 119.1944 54.9372 17.9377 178.7821 70 N 4.1687 7.8884 113.7344 55.6389 38.6571 176.4231 71 Y 4.1526 7.6919 117.8557 58.3765 38.4103 174.9059 72 I 4.5398 6.6935 111.5701 58.7076 40.5259 174.8405 73 R 4.1913 8.2396 118.2790 54.9515 31.3768 177.5933 74 A 2.5800 8.3378 123.0805 55.1247 17.9709 180.3764 75 S 4.1896 7.7611 110.5759 61.1996 63.3744 175.8016 76 D 4.8572 8.4022 123.1639 56.6466 40.3719 178.1809 77 F 4.5830 7.5106 118.0744 60.9211 39.0751 177.5514 78 K 4.0843 8.0422 116.0231 59.7687 32.5680 176.3642 79 Y 4.4945 7.5399 117.3057 58.5961 37.9732 176.9818 *81 D 4.7429 8.1400 121.2361 54.4514 43.0473 176.7047 82 T 4.4337 7.9550 107.6810 61.9351 69.3822 174.3866 83 I 4.4096 7.9767 124.6663 61.8381 37.2186 174.9760 84 D 5.2468 8.3829 124.2569 52.6833 40.4874 175.9904 85 K 4.5173 7.4451 118.0720 56.0311 35.6674 173.8700 86 I 4.4420 7.7834 127.2107 59.0995 40.7914 174.6613 87 K 4.0761 8.3693 127.3313 54.6196 35.3088 174.7118 88 V 4.1472 6.3697 127.1007 60.8905 33.2604 174.5420 89 E 4.5613 8.3356 126.2654 54.2150 33.6181 174.9931 90 W 4.7916 8.9423 124.0584 55.5548 29.9797 177.4309 91 L 3.9112 8.4745 124.5016 57.3960 40.4511 179.3231 92 A 4.7337 8.1561 121.6140 54.2920 18.0701 179.0956 93 L 3.9009 7.8109 116.0006 57.0927 41.7617 178.5383 94 E 4.3606 8.5260 118.3556 57.6335 30.5128 176.3586 95 S 4.6742 7.2402 110.7807 56.9923 66.1154 174.6702 96 E 4.3255 8.4815 123.8326 56.1707 28.2823 176.5317 *98 Y 4.4964 7.4083 114.6990 58.5198 39.7574 175.3894 99 D 4.6665 9.3297 123.5978 54.0902 41.9200 177.4335 100 T 4.1144 8.5891 114.7014 63.9958 68.8348 174.9995 101 R 4.5932 8.4785 120.2934 56.8231 30.9856 176.0733 102 D 5.0402 8.5014 120.4721 54.1043 42.2886 175.4790 103 F 5.1755 8.6363 116.6772 55.8142 41.7379 172.9530 104 S 5.0664 8.8730 114.6109 56.5189 66.2779 172.7231 105 I 4.5864 8.7085 121.5944 59.5879 40.9702 173.8379 106 T 5.0337 8.7012 126.3740 61.8098 70.8642 173.4296 107 F 4.8840 9.3395 124.9792 55.6884 42.6452 173.8133 108 H 5.0967 8.7315 122.3962 54.4808 32.5294 172.1311 109 F 5.2226 9.0219 125.5297 56.3295 40.2036 176.7436 110 H 4.2154 9.5341 124.7544 57.3258 30.4439 176.2110 111 G 3.8455 8.9448 103.7365 44.8824 0.0000 172.2876 112 I 4.5346 8.9268 118.4454 59.0940 38.7572 175.2765 113 E 3.9835 8.9006 124.9340 58.3282 29.6483 178.4527 114 G 3.8621 9.6096 110.3958 46.0428 0.0000 172.6079 115 D 4.6914 7.9379 118.3581 54.7562 46.5184 174.3504 116 F 5.2776 8.6752 123.3628 55.8047 41.7855 173.8573 117 K 4.1856 8.4402 127.9349 56.1451 32.9501 175.8144 118 E 4.2078 8.4951 128.1740 56.2823 30.2536 175.5720 119 Q 4.6396 8.5711 123.1364 55.4454 32.5676 172.5291 120 Q 5.2044 8.6830 121.2631 54.4126 31.4526 174.6962 121 V 4.5721 9.0932 125.8578 61.3901 35.2055 174.0020 122 T 5.1516 8.6720 123.3534 61.6816 70.9962 173.0643 123 K 4.4496 9.0004 127.8640 54.4418 34.7643 174.6367 124 V 4.4416 7.7987 126.1542 61.0332 34.0373 173.9318 125 F 5.1587 8.7848 126.7177 55.5513 41.6580 174.4102 126 Q 5.0609 9.0693 120.8452 54.4595 32.3420 174.2957 127 I 4.5679 9.3435 122.6976 61.5761 38.0905 175.7408 128 K 4.7958 9.1123 124.3935 54.6896 36.3138 175.6885 129 K 4.7610 8.4788 121.3696 54.8094 35.7907 175.6505 *136 D 4.4117 8.5503 117.1013 53.8446 42.2790 175.8888 137 G 4.1533 8.8399 102.6112 44.9061 0.0000 172.9621 138 I 4.8487 8.2718 111.8016 58.4921 41.2781 174.4504 139 L 4.8302 8.7779 126.1147 55.5459 42.8880 175.7425 140 T 4.9996 9.1104 114.9586 60.7251 73.1800 171.8897 141 S 4.9375 8.4403 115.4182 57.9661 66.4541 172.0664 142 E 4.7996 8.0786 119.5874 53.3907 32.6377 174.7130 143 P 4.7166 0.0000 0.0000 62.9173 32.2459 176.1477 144 V 4.5210 8.1397 121.5228 59.0232 34.1474 173.8680 145 P 4.3641 0.0000 0.0000 63.1508 31.8230 175.6254 146 I 4.2335 7.8885 120.1213 59.9190 40.7382 173.7123 147 E 4.3105 9.1978 128.3356 55.1826 29.0981 176.9444 148 W 3.4204 8.6814 124.0716 55.3687 29.9760 174.7278 149 P 4.4203 0.0000 0.0000 62.2349 31.5215 177.8874 150 Q 4.1358 9.0024 121.3205 59.3490 28.3461 179.6328 151 S 4.3519 8.1969 115.1043 60.9188 63.0152 175.1298 152 Y 4.8179 7.9818 118.6049 57.8822 37.7065 176.6247 153 D 4.4497 8.1396 122.8765 57.6490 40.8442 179.0285 154 S 4.3037 8.1345 111.0118 59.7961 63.7782 174.4509 155 I 4.3441 8.0368 114.4020 60.3332 37.9283 174.2698 156 N 3.8689 7.8311 121.7275 52.1078 38.5431 173.9284 157 P 4.2767 0.0000 0.0000 65.7050 31.2945 176.9158 158 D 4.4884 7.9554 116.7420 54.9207 41.4242 176.7636 159 L 4.5014 7.2647 119.8943 52.8425 41.0147 175.8535 *161 K 4.1953 7.8228 119.2255 55.3075 34.3524 175.7509 162 D 4.7695 7.8562 118.5237 52.7030 41.7987 175.5951 163 K 4.6017 8.5487 124.5513 56.2420 33.2869 177.0051 164 R 4.2960 8.3109 119.3476 58.0139 31.2908 178.0103 165 S 4.3305 7.9973 112.0460 57.7475 64.7574 173.1723 166 P 4.2719 0.0000 0.0000 65.7074 31.1363 178.6830 167 E 4.0683 8.1648 117.9161 59.1416 29.7195 178.8600 168 G 3.7514 8.2336 107.4446 47.2040 0.0000 175.9008 169 K 4.1502 8.5521 121.2352 59.0274 31.9866 179.6263 170 K 4.0002 7.9325 118.7115 59.5438 32.0203 179.5392 171 K 4.2487 7.9472 119.5814 58.8757 31.6702 178.8055 172 Y 4.0310 7.7958 119.0663 60.9305 38.8927 178.0327 173 R 4.0035 8.2284 117.8148 59.2611 30.2509 178.7305 174 Q 4.2798 8.3708 118.0725 58.7606 28.8875 180.6414 175 G 4.3782 7.7827 107.3142 44.2999 0.0000 175.0363 *177 K 4.3377 8.0402 119.6781 55.5169 34.2423 176.3764 178 T 4.5217 7.6244 109.9055 60.5224 69.9338 175.5706 179 I 3.3721 8.6250 121.7060 64.0737 37.6375 177.9674 180 F 4.1613 7.2311 117.3664 59.9446 38.4306 177.8347 181 G 4.0435 8.0222 105.7880 47.3972 0.0000 175.6339 182 W 3.9992 7.5655 130.7899 60.1855 30.6472 177.8499 183 F 3.5857 7.9332 115.7667 59.1599 38.0890 176.4099 184 R 4.4320 7.7650 116.8207 55.3446 30.7562 176.0551 185 W 4.3359 7.7247 129.0045 58.2820 31.4246 175.4291 186 T 4.1640 7.2487 112.5216 59.4611 70.0896 175.8745 187 G 3.1950 7.1058 108.6362 44.9291 0.0000 173.5301 188 L 4.4793 7.2144 117.4957 54.3850 43.0243 177.0375 189 K 4.5664 7.1869 117.6393 52.9946 32.4005 173.1677 190 P 4.3606 0.0000 0.0000 64.3019 32.0694 177.3284 191 G 3.9929 9.0739 109.7491 45.9323 0.0000 173.7901 192 K 4.5950 8.2151 116.7416 55.8912 33.3504 174.9556 193 E 4.9467 7.8259 117.6446 53.7915 33.1941 174.6330 194 F 4.1907 9.2954 120.9033 58.5228 39.5779 173.3296 195 P 4.1770 0.0000 0.0000 64.1332 31.8208 175.8811 196 H 4.3922 9.0098 119.8458 56.6108 26.7358 177.1654 197 G 3.1703 8.2138 107.0593 47.5032 0.0000 174.9471 198 D 3.9629 7.4746 120.9295 56.3530 39.7523 178.7487 199 S 4.1038 7.9406 116.1802 61.0596 63.0267 176.2149 200 L 3.0478 7.5882 122.8548 57.5756 41.7015 178.8008 201 A 4.1046 7.6218 120.3049 55.5313 18.2732 179.9294 202 S 4.1817 8.0257 114.7377 60.7337 62.7289 176.6972 203 L 3.8431 7.6632 123.3640 58.0299 41.6739 179.0897 204 F 4.0103 7.7378 117.4673 60.6510 38.4803 177.8858 205 S 3.8314 7.9376 113.5253 60.3587 62.5709 175.4257 206 E 4.4702 8.5267 120.6247 56.7605 30.4924 175.2245 207 E 4.8279 7.9020 115.4334 57.8456 32.9706 177.7150 208 I 3.8152 8.3932 119.0290 64.9262 37.5656 178.2769 209 Y 4.4688 8.2906 119.8181 60.1306 38.8781 175.0470 210 P 4.3584 0.0000 0.0000 64.9097 31.8351 177.7692 211 F 5.1863 8.2147 116.5139 57.3173 39.7975 177.6417 212 C 4.4213 7.8608 116.5153 61.8075 29.2756 175.4624 213 V 3.8201 8.0204 120.3515 65.6852 31.0870 177.9692 214 K 3.9313 8.0545 117.6328 59.7655 32.0962 178.8055 215 Y 4.1643 7.7841 116.6471 61.1033 37.4868 178.0300 216 Y 3.9318 7.9851 119.7683 60.4824 39.2446 177.4960 217 A 4.0179 8.1174 121.8636 55.1093 18.2414 179.2670 218 E 3.8593 8.3224 117.5384 59.1548 29.4078 178.7914 219 A 4.3559 7.3922 121.0355 54.0629 18.5184 179.3151 220 Q 3.9034 7.3143 115.8231 58.9421 28.7938 178.6580 221 R 4.0017 7.7462 117.4808 59.3581 30.3450 176.3514 222 D 4.5272 7.2801 121.1601 54.8533 40.8983 176.5786 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 12 A 8.12 3.93 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 13 K 7.82 3.94 0.00 1.91 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 14 A 8.75 4.08 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 15 F 8.70 4.16 0.00 3.16 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 16 L 8.04 4.16 0.00 1.85 1.88 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.95 3.62 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 18 L 8.50 4.01 0.00 1.77 1.68 0.74 0.65 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 19 A 8.19 4.01 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 20 K 7.98 3.99 0.00 2.03 1.88 0.00 1.69 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 1.47 1.70 7.81 21 C 8.15 4.19 0.00 3.14 2.98 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 22 E 8.40 3.96 0.00 2.14 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 2.54 2.48 0.00 23 E 8.10 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 2.34 2.47 0.00 24 E 8.24 3.98 0.00 2.05 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 2.30 2.31 0.00 25 V 7.97 3.58 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 1.06 0.00 0.00 0.97 0.00 0.00 26 D 8.19 4.34 0.00 2.90 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 8.01 4.05 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 8.14 3.71 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.90 0.00 0.00 29 E 8.47 3.97 0.00 2.15 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 2.53 2.48 0.00 30 R 7.95 4.11 0.00 1.95 2.08 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 31 E 8.24 3.95 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 2.35 0.00 32 V 8.16 3.63 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 1.01 0.00 0.00 0.96 0.00 0.00 33 E 8.35 3.99 0.00 2.24 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 2.35 2.64 0.00 34 L 8.37 4.02 0.00 1.89 1.78 0.98 0.96 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 35 Y 8.19 4.07 0.00 3.16 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 8.01 3.71 0.00 1.86 2.06 0.00 3.21 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 1.50 1.60 0.00 37 L 7.76 3.94 0.00 1.77 1.72 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.17 4.54 0.00 2.73 2.82 0.00 0.00 7.14 7.97 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 39 K 7.43 4.06 0.00 1.64 1.57 0.00 1.44 0.00 0.00 1.03 0.00 0.00 2.60 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.04 0.73 7.81 *41 K 7.99 4.43 0.00 2.05 1.88 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.58 7.81 42 P 0.00 4.50 0.00 2.28 2.29 0.00 3.81 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 2.17 1.98 0.00 43 V 7.16 3.51 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 0.88 0.00 0.00 0.82 0.00 0.00 44 Y 7.83 4.43 0.00 3.37 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 45 E 8.17 4.06 0.00 2.15 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 2.43 2.79 0.00 46 K 8.05 3.99 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.59 7.81 47 R 8.42 4.06 0.00 2.02 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0.90 7.81 124 V 7.80 4.44 1.86 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 0.75 0.00 0.00 0.78 0.00 0.00 125 F 8.78 5.16 0.00 1.70 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 0.00 126 Q 9.07 5.06 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 127 I 9.34 4.57 1.97 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 1.54 0.92 0.99 0.00 0.00 128 K 9.11 4.80 0.00 1.69 1.65 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 129 K 8.48 4.76 0.00 1.71 1.71 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *136 D 8.55 4.41 0.00 2.68 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 0.00 137 G 8.84 4.15 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 0.00 0.00 0.00 138 I 8.27 4.85 2.01 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 1.18 1.00 0.99 0.00 0.00 139 L 8.78 4.83 0.00 1.87 1.94 1.07 0.96 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 0.00 140 T 9.11 5.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 141 S 8.44 4.94 0.00 3.53 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 0.00 142 E 8.08 4.80 0.00 1.71 1.70 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 2.11 2.19 0.00 143 P 0.00 4.72 0.00 1.93 2.01 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 144 V 8.14 4.52 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 1.03 0.00 0.00 145 P 0.00 4.36 0.00 2.06 2.04 0.00 3.71 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 2.09 0.00 146 I 7.89 4.23 1.53 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.97 0.00 0.00 147 E 9.20 4.31 0.00 2.00 1.86 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 2.31 2.36 0.00 148 W 8.68 3.42 0.00 3.02 2.86 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 0.00 149 P 0.00 4.42 0.00 1.07 1.11 0.00 2.30 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 9.00 4.14 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 151 S 8.20 4.35 0.00 3.95 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 0.00 152 Y 7.98 4.82 0.00 3.18 3.17 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 0.00 153 D 8.14 4.45 0.00 2.89 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 0.00 154 S 8.13 4.30 0.00 3.99 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 0.00 155 I 8.04 4.34 2.04 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.92 0.00 0.00 156 N 7.83 3.87 0.00 2.70 2.63 0.00 0.00 6.94 7.59 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 0.00 157 P 0.00 4.28 0.00 2.24 2.17 0.00 2.24 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 158 D 7.96 4.49 0.00 2.56 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 7.26 4.50 0.00 1.50 1.53 0.85 0.64 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 7.82 4.20 0.00 1.75 1.89 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 162 D 7.86 4.77 0.00 2.70 2.52 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 0.00 163 K 8.55 4.60 0.00 1.54 1.41 0.00 1.60 0.00 0.00 1.41 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.36 7.81 164 R 8.31 4.30 0.00 1.88 1.93 0.00 3.14 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 165 S 8.00 4.33 0.00 4.04 3.99 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 0.00 166 P 0.00 4.27 0.00 2.18 2.15 0.00 3.59 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 2.11 2.14 0.00 167 E 8.16 4.07 0.00 2.08 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 0.00 2.38 2.44 0.00 168 G 8.23 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 0.00 0.00 0.00 169 K 8.55 4.15 0.00 1.81 1.92 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.77 7.81 170 K 7.93 4.00 0.00 1.95 1.87 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 171 K 7.95 4.25 0.00 2.03 2.03 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 172 Y 7.80 4.03 0.00 3.06 3.26 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 0.00 173 R 8.23 4.00 0.00 1.97 2.00 0.00 3.27 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 174 Q 8.37 4.28 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 175 G 7.78 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 0.00 0.00 0.00 0.00 *177 K 8.04 4.34 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.56 7.81 178 T 7.62 4.52 4.67 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 1.12 0.00 0.00 179 I 8.62 3.37 1.66 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 -0.03 0.00 0.00 180 F 7.23 4.16 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 8.02 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 0.00 182 W 7.57 4.00 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 7.93 3.59 0.00 3.38 3.08 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 0.00 184 R 7.77 4.43 0.00 2.06 2.41 0.00 3.46 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 185 W 7.72 4.34 0.00 3.34 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 0.00 186 T 7.25 4.16 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 1.14 0.00 0.00 187 G 7.11 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 0.00 0.00 0.00 188 L 7.21 4.48 0.00 1.49 1.60 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 189 K 7.19 4.57 0.00 1.67 1.68 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 190 P 0.00 4.36 0.00 2.06 2.08 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 191 G 9.07 3.99 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 0.00 0.00 0.00 192 K 8.22 4.59 0.00 1.90 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.54 7.81 193 E 7.83 4.95 0.00 2.17 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 2.24 2.44 0.00 194 F 9.30 4.19 0.00 3.21 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 0.00 195 P 0.00 4.18 0.00 1.71 1.73 0.00 2.95 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 196 H 9.01 4.39 0.00 3.57 3.54 0.00 5.63 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 8.21 3.17 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 0.00 198 D 7.47 3.96 0.00 3.00 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 0.00 199 S 7.94 4.10 0.00 4.14 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 0.00 200 L 7.59 3.05 0.00 1.07 1.34 0.27 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.62 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.03 4.18 0.00 4.00 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 0.00 203 L 7.66 3.84 0.00 1.59 1.28 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 204 F 7.74 4.01 0.00 3.24 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 0.00 205 S 7.94 3.83 0.00 3.18 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 8.53 4.47 0.00 2.15 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 2.32 2.34 0.00 207 E 7.90 4.83 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 208 I 8.39 3.82 1.77 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.51 1.01 0.00 0.00 209 Y 8.29 4.47 0.00 2.81 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 0.00 210 P 0.00 4.36 0.00 1.05 1.80 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 211 F 8.21 5.19 0.00 3.17 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 0.00 212 C 7.86 4.42 0.00 3.03 3.77 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 0.00 213 V 8.02 3.82 2.17 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 1.14 0.00 0.00 0.99 0.00 0.00 214 K 8.05 3.93 0.00 1.75 1.59 0.00 1.43 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.46 1.55 7.81 215 Y 7.78 4.16 0.00 3.21 2.92 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 0.00 216 Y 7.99 3.93 0.00 2.60 3.17 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 0.00 217 A 8.12 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 E 8.32 3.86 0.00 2.05 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 0.00 2.30 2.29 0.00 219 A 7.39 4.36 1.28 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 0.00 0.00 0.00 0.00 0.00 220 Q 7.31 3.90 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 221 R 7.75 4.00 0.00 1.72 1.95 0.00 3.19 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 222 D 7.28 4.53 0.00 2.50 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 * Residues marked with a * may have inaccurate shift predictions.