NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3003 8.3344 115.4094 57.5477 64.8528 172.6660 3 V 4.0175 7.6599 122.1257 61.9112 31.9128 171.7880 4 E 4.6436 9.6884 129.4489 55.1372 32.2190 174.6928 5 I 4.9313 8.2079 123.9140 59.6807 38.8776 175.0688 6 K 4.7486 9.1649 125.6030 54.9572 36.6117 175.4713 7 R 4.6322 8.6201 121.0618 56.3207 31.0689 175.4328 8 V 4.4810 8.7172 125.8515 61.2937 33.1829 175.0483 9 D 5.0516 8.4969 127.0307 51.1138 42.1408 177.0378 10 K 3.1731 8.6391 119.9129 59.6616 32.1073 178.1524 11 H 4.1001 7.6866 116.7279 58.4869 30.0482 175.2174 12 H 4.7753 8.1329 116.5241 55.3559 29.3894 175.8594 13 C 3.6565 7.5121 118.5233 60.9263 29.3536 174.8279 14 L 4.0296 7.5481 120.1367 56.4730 40.9882 178.3292 15 D 4.4684 7.7625 118.6380 56.2594 41.0097 177.3415 16 L 4.3570 7.5611 118.5870 54.7956 41.8530 178.5500 17 V 3.6250 7.5437 119.6940 65.9132 31.6142 177.8369 18 G 3.7319 8.1155 104.9052 48.1343 0.0000 175.2249 19 I 4.0338 7.8485 120.5177 63.3069 38.0414 177.7887 20 F 4.0266 8.6497 119.2253 60.3849 38.8774 177.5582 21 I 3.7796 8.2522 119.8714 64.3990 36.8810 178.1128 22 E 3.9749 8.1879 119.7808 59.2722 29.4327 178.6079 23 L 3.0519 7.7102 120.4151 57.7515 41.8999 178.8656 24 E 4.2189 8.5127 119.0582 59.4670 29.3600 179.4427 25 R 3.9769 7.9209 117.6882 59.5067 29.9289 178.5121 26 Y 3.8118 7.8330 118.1765 60.1580 38.7683 176.7982 27 Y 4.5419 7.1819 115.8517 58.0487 39.1846 176.2227 28 F 5.0868 7.9196 115.5083 55.6866 42.5890 178.7815 29 G 3.9104 8.9337 110.6315 46.9899 0.0000 175.5136 30 D 4.4575 9.3028 123.0478 56.4672 41.9016 177.2600 31 K 4.3273 8.3267 116.9959 56.3439 31.7947 176.9297 32 A 4.3657 7.5163 122.3681 52.0489 18.7935 178.2986 33 A 4.1998 8.4620 125.2299 51.5827 19.3101 178.3967 34 S 4.4525 8.3106 115.8302 57.8249 65.3332 175.2099 35 E 3.9682 8.6134 122.0012 59.4579 29.4042 178.6906 36 Q 3.9896 8.0213 117.5907 59.1450 28.8282 178.2957 37 D 4.4040 7.9132 119.6150 57.4521 40.7549 178.9623 38 L 4.1848 8.1263 119.3027 57.6004 41.5210 179.3411 39 A 3.9256 8.2166 120.8755 55.2261 18.2463 179.4399 40 N 4.1186 8.0967 114.8186 56.5127 38.5771 176.8682 41 Y 4.3411 8.4289 121.2802 60.9247 38.9970 178.3859 42 L 3.7960 8.2278 120.0002 57.9898 41.5134 179.7559 43 S 4.1518 8.1528 114.0450 60.7781 62.8433 175.3455 44 H 4.9963 8.3519 116.4463 55.5272 30.2285 173.9868 45 Q 4.4518 7.7778 115.8442 57.4429 31.1221 176.8673 46 V 3.2975 7.7174 116.5225 64.9692 31.5583 175.8101 47 F 4.4326 7.7058 119.2297 56.0525 39.2260 174.6834 48 S 4.6398 7.8464 118.6406 56.8719 65.3979 175.6103 49 E 3.9638 8.8629 121.2692 59.7173 29.1960 178.1186 50 H 4.5520 7.4573 111.7717 55.9758 29.2434 175.4295 51 S 4.1225 7.6903 116.5799 58.3917 62.5419 173.7740 52 G 3.9389 8.5652 114.8996 45.5235 0.0000 173.3567 53 V 4.4728 7.1231 112.6750 59.5409 34.2546 175.2415 54 K 4.3650 8.1562 122.2916 54.5833 35.7431 175.2073 55 V 5.2750 8.0488 119.6778 61.4216 34.8773 173.8673 56 I 5.2484 9.0422 120.5049 59.2648 40.8343 174.2618 57 A 5.3161 9.2473 124.5216 50.4105 23.2253 174.5836 58 A 5.0737 9.0602 122.4205 50.6179 21.0949 176.6237 59 V 4.8953 8.8526 122.4035 61.1762 35.6301 174.1675 60 E 4.6912 9.2018 127.7578 55.5737 33.1995 174.7447 61 H 4.2311 9.4422 124.8336 57.2608 26.3934 174.3462 62 D 4.4475 8.3880 112.6674 54.8408 39.9273 172.3344 63 K 4.5813 7.8113 116.5575 53.8714 34.2445 175.6427 64 V 4.2642 8.3745 123.5451 62.7381 32.0352 175.4670 65 L 4.4257 9.2098 127.9298 56.2981 43.2163 176.5475 66 G 4.5072 7.9316 103.9063 46.0644 0.0000 172.1277 67 F 5.6995 8.5770 114.5337 55.6844 42.0693 172.9709 68 A 5.8170 9.7381 120.6890 49.5248 22.4420 175.0638 69 T 5.3850 8.8838 111.9198 60.4486 71.1912 173.2683 70 Y 5.2601 8.4187 121.0558 56.5217 41.9403 173.2324 71 T 4.8963 8.9271 113.9905 61.0408 71.0696 172.3260 72 I 4.6806 8.1494 124.3708 59.3886 40.7288 175.0623 *74 F 4.4179 8.4202 121.3750 56.8075 39.7776 173.4205 75 P 4.8686 0.0000 0.0000 62.5189 32.6566 174.5410 76 A 4.5680 8.0152 119.2089 50.3483 21.7785 174.3019 77 P 4.3561 0.0000 0.0000 63.8526 31.8693 176.5816 78 K 4.2395 8.7412 116.5335 58.3788 29.3886 175.6916 79 L 3.7156 8.2067 113.6967 56.0763 39.2263 173.3216 80 S 4.9144 7.7013 110.3502 56.8705 66.9624 173.9305 81 G 3.4318 8.8581 106.9320 45.0988 0.0000 172.6382 82 Q 4.8177 7.4430 120.7753 54.6525 32.3875 172.1959 *84 Y 5.1518 7.9566 116.4216 57.9225 39.8005 174.9263 *86 K 4.6279 8.6523 117.5904 56.4485 34.0464 177.0030 87 D 4.9916 8.1619 118.6550 52.3600 45.5576 173.9893 88 L 4.9504 8.5371 123.3605 53.1803 44.6746 175.2637 89 F 4.4664 8.5412 127.9565 56.2459 42.8181 173.1959 90 V 4.4835 7.0458 125.0667 60.4708 33.8927 175.1052 91 S 4.3602 8.8710 123.1196 58.3294 62.8013 175.3151 92 S 3.9928 9.0130 121.9040 61.0229 62.7382 175.2656 93 S 4.4628 7.8282 113.4364 58.5150 62.9306 174.0841 94 A 4.6788 7.8951 122.2127 52.0072 19.7530 176.8533 95 R 3.9005 7.8078 117.0514 58.5892 30.6038 177.3994 96 G 3.8815 8.7716 108.5184 45.6731 0.0000 173.9929 97 K 4.3047 7.8133 117.8673 55.2935 32.5827 176.7678 98 G 4.0020 7.9526 106.6490 46.8053 0.0000 176.6248 99 I 3.7815 7.2425 119.9722 63.6919 36.8072 178.0005 100 G 3.5302 7.8298 105.1782 47.8899 0.0000 174.7888 101 L 4.2400 7.8525 121.5136 57.6945 42.4327 178.2548 102 Q 4.1862 8.0611 119.4043 59.0793 28.9306 179.1485 103 L 3.7639 7.9486 117.5540 55.3259 41.7343 179.1932 *105 K 4.2061 8.0185 120.4225 56.9621 34.2440 178.0535 106 H 3.9932 8.2890 115.7855 58.7766 28.5865 177.6710 107 L 3.6348 7.7278 120.4610 57.8382 41.4635 179.3916 108 A 4.0117 7.9212 119.9060 55.6755 18.3593 179.7050 109 T 3.8373 7.7245 113.9061 66.6666 68.3659 177.1186 110 I 3.7070 7.9088 121.7729 64.1773 37.0559 178.0391 111 A 4.0663 8.3715 122.2669 55.4527 18.0325 179.7519 112 I 4.0222 7.6399 109.5652 63.4286 37.9523 177.4421 113 T 4.3476 7.6763 109.2831 62.3864 69.3874 174.4492 114 H 4.8648 7.6598 119.6821 55.9507 29.7385 172.9038 115 N 4.2364 8.2551 112.9549 54.7804 37.5072 172.3182 116 C 5.1819 8.2258 112.6125 57.3386 29.6736 174.0674 117 Q 4.5590 8.5821 121.0893 55.8423 29.4689 175.7374 118 R 4.6654 7.5932 115.9301 54.0850 34.0449 174.1792 119 L 4.7256 8.5628 122.0187 53.4915 44.3672 175.3167 120 D 4.9547 8.1497 125.1793 52.4305 44.1064 174.7433 121 W 3.9422 7.0534 116.4180 56.3040 30.0254 173.3171 122 T 4.4853 8.4287 108.0107 59.6957 70.7889 172.6678 123 A 4.9252 8.1001 123.9352 50.5711 22.6984 174.9781 124 E 4.5997 8.4480 118.5953 54.6698 30.8950 178.0154 125 S 4.2103 8.6538 118.2193 60.6574 63.2575 174.8565 126 T 4.2837 7.7822 109.8496 62.0121 69.7099 174.3017 127 N 5.0618 8.1739 120.9016 50.9525 38.9033 172.6976 128 P 4.3444 0.0000 0.0000 65.8563 31.9251 178.3524 129 T 3.9839 7.9370 107.7484 64.2319 68.6816 176.5992 130 A 3.9121 8.0790 124.1879 55.0895 18.3955 179.7729 131 G 3.7676 8.1856 103.8128 47.8715 0.0000 175.8593 132 K 3.9881 8.0694 120.6762 59.1783 31.9832 178.9864 133 F 4.1446 8.1778 120.8130 61.6255 39.2715 176.6964 134 Y 4.1899 7.8875 116.2334 61.1610 37.7607 178.8196 135 K 4.1566 8.4566 119.8422 59.5823 31.9759 179.5266 136 S 4.2314 8.1305 113.3474 60.3539 62.9291 175.4195 137 I 4.2177 6.9604 115.2062 60.5135 37.7157 176.1210 138 G 3.9758 7.9115 108.3404 45.3898 0.0000 174.0654 139 A 4.2623 7.6954 122.1948 51.8238 19.0866 177.5737 140 S 4.6118 8.1553 116.7434 56.7109 64.5147 173.9121 141 L 4.0276 8.2614 126.8301 54.5534 42.6535 176.8962 142 I 4.1717 7.8237 127.5568 59.7761 35.9820 176.3128 143 R 3.9800 8.1453 124.4264 58.8141 30.2872 178.2195 144 E 4.0978 8.0032 115.5453 57.6379 29.7739 176.7775 145 K 4.1366 7.7920 121.4889 55.9348 32.6665 175.5819 146 E 4.5097 8.7191 125.5756 54.5685 31.6071 174.5188 147 Y 4.2773 8.3068 124.6658 56.1480 39.6533 174.1857 148 Y 4.7268 7.8554 124.3224 56.5194 40.8242 175.2421 149 R 4.6048 8.1734 119.7541 55.5141 33.1272 173.9863 150 F 4.9213 8.8323 124.0080 55.7211 41.2182 174.7298 151 E 4.8572 8.4778 121.2318 55.2652 34.0157 179.3412 152 G 3.9511 8.6234 110.0820 46.6883 0.0000 175.0921 153 N 4.4139 9.2710 121.5339 56.0895 38.4324 176.1566 154 G 3.9405 8.2665 106.6232 47.8424 0.0000 175.3027 155 L 3.9263 7.7436 122.0161 58.1658 42.2531 178.7478 156 N 4.3430 8.3583 116.6909 56.1678 38.4188 177.6743 157 K 3.9171 8.6870 120.2068 59.3243 31.9961 178.8873 158 L 3.7358 7.5797 119.0086 58.3724 41.8901 178.7263 159 A 4.0477 7.5583 118.9911 54.7150 18.3677 179.1846 160 K 4.0354 7.6665 117.3846 59.3058 32.4707 176.9733 161 S 4.2776 8.3077 119.1293 58.9888 62.7869 174.0010 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 2 S 8.33 4.30 0.00 3.91 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 3 V 7.66 4.02 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 0.76 0.00 0.00 0.95 0.00 0.00 4 E 9.69 4.64 0.00 1.97 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 2.26 2.26 0.00 5 I 8.21 4.93 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.74 0.00 0.00 6 K 9.16 4.75 0.00 1.73 1.85 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 7 R 8.62 4.63 0.00 1.92 1.93 0.00 3.31 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 8 V 8.72 4.48 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 0.79 0.00 0.00 1.00 0.00 0.00 9 D 8.50 5.05 0.00 2.99 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 10 K 8.64 3.17 0.00 1.92 1.85 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 H 7.69 4.10 0.00 3.19 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.13 4.78 0.00 3.19 3.38 0.00 5.87 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.51 3.66 0.00 2.19 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 0.00 0.00 0.00 14 L 7.55 4.03 0.00 1.59 1.65 0.83 1.00 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 15 D 7.76 4.47 0.00 2.69 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 16 L 7.56 4.36 0.00 1.46 1.15 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.54 3.63 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 1.11 0.00 0.00 0.89 0.00 0.00 18 G 8.12 3.73 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 0.00 0.00 0.00 19 I 7.85 4.03 2.08 0.00 0.00 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 2.19 1.80 1.22 0.00 0.00 20 F 8.65 4.03 0.00 3.32 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 21 I 8.25 3.78 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.96 0.00 0.00 22 E 8.19 3.97 0.00 2.18 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 0.00 2.52 2.43 0.00 23 L 7.71 3.05 0.00 0.41 1.35 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.51 4.22 0.00 2.27 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 2.58 2.63 0.00 25 R 7.92 3.98 0.00 2.06 2.01 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 26 Y 7.83 3.81 0.00 3.01 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 27 Y 7.18 4.54 0.00 1.55 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 0.00 0.00 0.00 28 F 7.92 5.09 0.00 3.20 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 29 G 8.93 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 30 D 9.30 4.46 0.00 2.71 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 31 K 8.33 4.33 0.00 1.97 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 32 A 7.52 4.37 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 33 A 8.46 4.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.31 4.45 0.00 4.07 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 35 E 8.61 3.97 0.00 2.08 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 2.38 2.42 0.00 36 Q 8.02 3.99 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 37 D 7.91 4.40 0.00 2.81 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 38 L 8.13 4.18 0.00 1.90 1.86 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.22 3.93 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 40 N 8.10 4.12 0.00 2.98 2.95 0.00 0.00 6.68 7.42 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 41 Y 8.43 4.34 0.00 3.10 3.23 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 42 L 8.23 3.80 0.00 1.76 1.51 0.57 0.06 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 43 S 8.15 4.15 0.00 3.53 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.35 5.00 0.00 3.22 3.32 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.78 4.45 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 46 V 7.72 3.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.29 0.00 0.00 47 F 7.71 4.43 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.85 4.64 0.00 3.90 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 49 E 8.86 3.96 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 50 H 7.46 4.55 0.00 3.29 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.69 4.12 0.00 3.89 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 52 G 8.57 3.94 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 0.00 0.00 0.00 53 V 7.12 4.47 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.75 0.00 0.00 54 K 8.16 4.37 0.00 0.79 1.45 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.10 7.81 55 V 8.05 5.27 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 1.35 0.00 0.00 0.80 0.00 0.00 56 I 9.04 5.25 1.92 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 *84 Y 7.96 5.15 0.00 3.10 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 *86 K 8.65 4.63 0.00 2.05 2.04 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.71 7.81 87 D 8.16 4.99 0.00 2.71 2.48 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 88 L 8.54 4.95 0.00 1.48 1.48 0.80 0.60 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 89 F 8.54 4.47 0.00 2.68 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 0.00 0.00 0.00 0.00 90 V 7.05 4.48 1.67 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 0.63 0.00 0.00 0.70 0.00 0.00 91 S 8.87 4.36 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 9.01 3.99 0.00 3.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 135 K 8.46 4.16 0.00 1.77 1.87 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.61 7.81 136 S 8.13 4.23 0.00 4.01 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 0.00 137 I 6.96 4.22 1.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.54 0.00 0.00 138 G 7.91 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 0.00 139 A 7.70 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.16 4.61 0.00 3.78 3.73 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 0.00 141 L 8.26 4.03 0.00 1.52 1.52 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.82 4.17 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.87 0.00 0.00 143 R 8.15 3.98 0.00 1.78 1.97 0.00 3.19 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 144 E 8.00 4.10 0.00 1.95 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 2.31 2.28 0.00 145 K 7.79 4.14 0.00 1.90 1.73 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.47 7.81 146 E 8.72 4.51 0.00 2.07 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 2.18 2.42 0.00 147 Y 8.31 4.28 0.00 2.87 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 0.00 148 Y 7.86 4.73 0.00 2.91 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 0.00 149 R 8.17 4.60 0.00 1.90 1.83 0.00 3.27 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 150 F 8.83 4.92 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.48 4.86 0.00 2.14 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 0.00 2.31 2.35 0.00 152 G 8.62 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 0.00 153 N 9.27 4.41 0.00 2.81 2.90 0.00 0.00 6.69 7.95 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 0.00 154 G 8.27 3.94 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 0.00 0.00 0.00 155 L 7.74 3.93 0.00 1.78 1.91 0.90 1.11 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 0.00 156 N 8.36 4.34 0.00 2.90 2.85 0.00 0.00 7.09 7.81 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 0.00 157 K 8.69 3.92 0.00 1.89 1.85 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 158 L 7.58 3.74 0.00 1.06 1.45 0.62 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 0.00 0.00 0.00 0.00 159 A 7.56 4.05 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 0.00 160 K 7.67 4.04 0.00 1.80 1.93 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 161 S 8.31 4.28 0.00 3.86 3.76 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 * Residues marked with a * may have inaccurate shift predictions.