NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7383 8.4249 119.2105 53.7770 39.2927 174.5210 3 L 4.2287 7.5348 123.2817 52.9139 40.4549 176.1135 4 K 4.1274 8.8747 125.1708 59.1647 33.8539 178.0921 5 D 4.6688 8.0471 117.1508 55.8907 41.6230 178.2484 6 K 3.9847 7.8479 120.9712 59.5236 32.1192 178.7749 7 I 3.7424 7.7961 119.6445 64.3346 37.0232 178.1847 8 L 3.9876 7.9552 119.5287 57.6440 41.4301 179.9163 9 G 3.5553 7.8978 105.5452 47.8298 0.0000 176.0122 10 V 3.5153 7.6830 120.8433 65.3442 31.4853 177.7904 11 A 3.5000 7.9905 120.6411 54.9024 18.2131 179.2334 12 K 3.9217 8.1467 118.2695 60.0205 32.2839 178.4387 13 E 4.0973 8.1596 118.6660 58.4652 29.3887 178.6155 14 L 3.9515 7.6655 119.4678 57.7556 41.8422 179.1909 15 F 4.5179 7.9244 119.1564 60.0706 38.5681 177.9380 16 I 3.8894 7.8683 121.4466 64.7520 37.0244 178.9775 17 K 4.1559 7.8942 123.2623 59.7216 31.7644 179.9628 18 N 5.0210 9.2013 116.6653 51.7631 40.0046 175.6880 19 G 4.0232 7.8634 105.7330 44.6880 0.0000 173.7618 20 Y 3.9167 8.5122 118.4512 60.6991 39.1110 177.4106 21 N 4.1880 9.1145 116.5358 56.4877 38.6461 176.3736 22 A 4.1256 7.9894 116.5661 53.1098 18.5366 177.0252 23 T 4.3095 7.5284 114.1371 62.1053 68.9006 175.2217 24 T 4.2087 8.0089 120.8977 61.6307 69.6396 175.1463 25 T 4.0122 8.4078 121.7398 66.5729 68.6169 177.0311 26 G 3.7889 7.8558 107.7686 47.9522 0.0000 175.2470 27 E 3.8886 8.0644 120.9767 59.2240 29.5826 178.1896 28 I 3.5444 7.2082 117.7350 64.8083 37.5005 178.1002 29 V 3.8719 8.3995 122.4023 66.1799 31.6396 178.8923 30 K 3.9589 8.0433 123.2743 59.7752 31.3796 180.1701 31 L 4.5349 7.9462 118.8764 55.8280 42.3259 177.1324 32 S 4.6097 8.0053 114.9478 58.5545 63.1806 174.6022 33 E 3.6971 7.9226 114.2034 57.6605 27.5222 177.4546 34 S 5.0645 7.9166 115.4988 56.9998 65.5729 172.7006 35 S 4.8462 8.3836 113.7695 56.7119 66.3854 176.4018 36 K 4.2740 8.6456 131.8010 59.5466 31.4742 179.4552 37 G 3.7803 8.0375 104.9764 47.9862 0.0000 175.5182 38 N 4.3892 8.0627 118.9568 56.2839 38.9540 176.5687 39 L 4.3271 8.2267 121.8459 58.7224 42.3145 178.6296 40 Y 4.2890 8.3225 116.3235 61.1236 37.5142 178.0114 41 Y 4.0832 8.1507 119.8143 61.1715 39.0458 177.5895 42 H 4.1687 8.0975 115.3914 57.6169 29.0874 176.2779 43 F 4.7195 8.2272 115.9610 56.2299 40.0914 174.9355 44 K 4.1011 7.8239 122.6275 56.7020 31.2779 176.3922 45 T 4.4812 6.9887 109.5429 59.1449 72.1647 174.9394 46 K 4.0510 8.4875 124.5146 59.6111 32.5049 178.5108 47 E 4.4702 8.2737 119.0816 58.9785 29.2469 178.7342 48 N 4.2774 8.1812 117.2517 56.4025 39.2072 176.0707 49 L 3.9615 7.9737 121.8368 58.4965 42.0131 178.8798 50 F 4.1519 8.6430 120.4207 61.2344 39.3017 176.9917 51 L 3.6284 7.6916 118.2645 57.7165 41.4898 179.1687 52 E 3.9665 8.3058 119.1669 59.1833 29.5868 178.9035 53 I 3.6440 7.7844 119.8982 64.3546 37.2181 178.0576 54 L 3.7584 7.7167 121.4424 58.2131 41.7751 178.8313 55 N 4.3212 8.5138 116.8143 56.1287 38.4501 177.4802 56 I 3.6524 7.6181 120.9600 64.4129 37.1856 178.3003 57 E 4.0114 8.3174 121.6983 60.2259 29.4969 179.9361 58 E 3.8724 8.2145 118.2611 61.0596 29.6785 181.0188 59 S 4.2354 8.0208 113.6764 61.4130 62.5645 176.5331 60 K 3.8472 8.3592 121.6222 58.9534 31.6531 179.2677 61 W 4.7821 8.6313 131.5295 61.0902 30.6334 178.7154 62 Q 3.8637 8.1329 122.8153 60.7516 27.4482 181.3771 63 E 4.1351 8.1378 120.6352 61.1295 29.6123 180.9240 64 Q 4.2378 8.1967 120.8404 58.6625 29.0547 178.1194 65 W 4.2267 7.8791 131.9307 60.7232 30.4100 178.6996 66 K 3.5567 7.6852 122.8978 59.9548 31.1332 181.1413 67 S 4.3829 7.5429 115.0807 61.0729 63.1599 176.0383 68 E 4.2123 7.7979 121.2965 58.5284 29.6667 178.4833 69 Q 3.3919 7.4931 117.9409 59.1858 27.7360 178.9892 70 I 3.6379 7.5975 121.5388 64.4084 37.9950 178.0028 71 K 4.3262 7.8428 122.8789 57.3930 31.5499 180.2706 72 A 4.7129 7.6855 123.0890 51.8437 19.1040 177.8766 73 K 4.1436 8.7439 124.6847 58.3575 32.2719 175.5000 74 T 4.3489 7.6103 110.3558 61.0620 71.3507 175.3043 75 N 4.5708 9.5655 120.1171 55.7909 38.5360 177.9715 76 R 4.4573 8.0525 123.3277 60.3923 30.2936 179.0681 77 E 4.4578 8.8049 118.1459 60.7587 29.6711 181.0935 78 K 4.5915 8.0830 117.9128 60.0568 32.1039 179.1067 79 F 4.2629 8.4571 120.6429 61.4597 38.6896 176.7407 80 Y 4.1901 8.3741 118.4639 61.7762 37.7107 178.9946 81 L 4.1984 8.4113 123.1658 59.6819 41.0326 180.7217 82 Y 3.5246 8.4567 120.7135 60.5615 38.4137 178.1389 83 N 4.3082 7.6880 118.5485 56.6249 38.8097 177.7824 84 E 4.0862 8.4420 120.0684 61.2466 29.8731 181.6704 85 L 4.2089 8.5331 121.0040 57.7327 41.4637 179.6909 86 S 3.1831 7.5499 114.1329 61.4156 62.6258 176.6199 87 L 3.8717 7.2073 120.5082 57.6050 41.4502 179.0026 88 T 4.1114 7.3832 107.3780 62.3990 69.7268 175.2409 89 T 3.8257 7.3434 117.2804 61.9789 67.6249 173.8361 90 E 3.9461 8.4466 125.8280 58.0312 30.2017 176.1538 91 Y 4.9305 7.3856 117.8376 57.8511 39.4716 173.6237 92 Y 3.8896 8.5959 129.1728 58.5255 39.4226 170.9860 93 Y 3.7007 7.5393 116.2409 60.2448 38.1858 177.0029 94 P 4.2592 0.0000 0.0000 64.6244 31.8166 177.7227 95 L 4.2209 7.9427 118.1998 55.8872 41.5677 178.5517 96 Q 3.8060 7.2043 118.4504 59.4027 28.8135 179.1410 97 N 4.5827 8.1664 115.9748 55.8098 38.3885 177.0612 98 A 4.1739 8.5004 122.7803 54.7424 18.9350 179.3285 99 I 3.9508 7.7958 117.8831 64.8184 37.2141 178.3709 100 I 3.7248 8.2545 120.5772 64.4838 36.7815 177.9380 101 E 3.9735 7.4973 117.1058 59.7099 29.6277 179.1098 102 F 3.7449 8.9170 121.2295 61.2619 39.4113 176.3460 103 Y 4.0041 8.7069 119.6976 61.0700 38.4552 178.3567 104 T 4.1818 7.8967 108.6177 64.1375 68.7928 175.7054 105 E 3.7519 7.3537 121.7894 58.6524 30.0168 177.1918 106 Y 4.4435 7.0790 116.2512 58.5231 38.5092 177.4472 *107 Y 3.6004 7.7572 125.0551 62.4477 36.8281 184.0320 108 K 4.1680 7.7898 120.7343 57.4986 31.8613 179.1776 109 T 4.3133 7.4194 108.5856 61.2036 70.0331 173.9429 110 N 4.6954 8.4765 117.5970 55.4361 39.9892 176.1143 111 S 4.0847 7.9960 116.3568 62.2242 62.8333 176.5789 112 I 3.8857 7.5425 121.5922 63.9559 35.2730 179.6593 113 N 4.5163 7.9742 116.4361 57.6175 39.0044 176.6060 114 E 4.1558 8.3135 122.4842 59.7540 29.4813 180.0969 115 K 4.0392 8.0103 126.4254 60.9028 31.6869 182.2448 116 M 4.4621 8.0648 121.4713 59.2354 31.1292 180.0205 117 N 4.6529 8.8208 120.0753 57.4943 38.9509 177.8940 118 K 4.0637 8.5714 125.5733 59.7832 31.8038 180.8248 119 L 4.3566 8.0364 119.5618 57.0981 41.5176 179.2833 120 Q 4.0177 7.8071 120.2116 59.0451 29.2116 177.5570 121 N 4.4827 8.1847 119.8368 56.6463 38.2391 178.2125 122 K 4.0863 7.6360 125.8265 60.4756 31.7231 182.9713 *123 Y 4.3426 7.3218 121.6214 62.0793 36.8308 180.4378 124 I 4.3198 7.9915 124.4977 64.6797 37.1608 178.6420 125 D 4.5463 8.1478 121.7165 58.4839 39.4163 181.8671 126 A 4.1382 7.6711 119.7905 55.6600 18.3378 179.3372 127 Y 3.7797 7.7171 114.2246 61.3879 38.0905 177.9621 128 H 4.2251 8.8580 119.6289 59.6014 29.8989 177.2030 129 V 3.7173 8.4637 120.0490 66.0615 31.3648 177.8424 130 I 3.7763 7.5056 118.9757 64.7576 36.9729 178.5235 131 F 4.6895 8.1023 118.4120 60.3323 38.8091 177.7475 132 K 4.0587 8.4422 119.3398 59.8687 32.2326 178.9032 133 E 4.2056 8.5484 118.7679 58.9229 29.2990 179.8242 134 G 3.4061 8.3324 106.1835 47.7974 0.0000 175.1437 135 N 4.6997 9.0349 121.4954 55.5700 38.4905 177.5619 136 L 4.1148 7.7268 117.8357 56.9482 41.6668 177.7625 137 N 4.8299 7.7999 115.7149 52.8216 40.0846 174.4978 138 G 3.9882 7.6975 104.5812 46.0780 0.0000 175.1718 139 E 3.9332 7.5532 119.6376 57.1437 30.0098 176.2507 140 W 4.8011 6.8327 113.9189 56.2226 30.5538 173.6947 141 S 5.6335 8.4479 113.3084 56.2300 61.9795 172.4802 142 I 3.9308 8.0477 123.2723 59.9717 35.9594 176.3228 143 N 4.3401 8.6558 124.4775 54.8007 38.9143 176.2674 144 D 4.6041 7.5472 125.0537 52.5318 41.2151 176.8609 145 V 3.3295 7.9533 126.2130 65.9407 31.8686 176.8671 146 N 4.0925 8.3218 115.4704 56.6054 38.2780 176.9084 147 A 3.9189 7.7929 120.5949 55.1651 18.7589 179.8517 148 V 3.5810 7.6656 116.3321 65.8899 31.4252 178.3952 149 S 4.2381 8.7641 116.4608 61.9011 62.2480 176.8532 150 K 4.0182 7.8919 126.3133 59.7323 31.2596 181.0361 151 I 3.9022 8.2495 120.5572 64.1925 36.9965 178.1330 152 A 3.6031 7.9530 121.3515 55.0394 18.1132 179.1436 153 A 3.6003 7.2863 118.8474 55.7362 18.4423 179.7645 154 N 4.2976 7.9485 113.8986 56.0279 38.5707 177.5184 155 A 3.8539 8.2033 122.8148 55.0330 18.4166 179.5349 156 V 3.0593 7.6856 116.1780 66.2067 31.7750 177.7091 157 N 4.4404 8.5197 116.8546 56.6834 38.7364 176.8621 158 G 3.7570 7.9757 107.0310 47.9881 0.0000 175.6866 159 I 3.6822 7.3436 121.3598 63.9369 37.1800 178.4055 160 V 3.5570 7.7296 118.3651 65.6225 31.3629 177.3325 161 T 4.0723 7.3057 107.0316 61.9918 69.4994 175.6775 162 F 5.2015 7.3120 120.1664 56.5482 40.6012 176.4407 163 T 4.5544 7.6812 109.8023 62.0957 67.4914 172.7386 164 H 4.9514 8.6047 115.1425 55.4400 28.9243 173.9536 165 E 4.6776 8.1057 114.5648 56.1188 30.7363 178.0640 166 Q 4.5887 7.6477 117.9972 54.1870 32.1469 173.8942 167 N 4.2962 8.5931 115.4524 54.3372 39.9030 175.5932 168 I 3.7917 8.3858 127.3433 63.8860 38.1496 177.6019 169 N 4.3374 8.3318 117.7850 56.2319 38.2794 176.9108 170 E 3.9582 8.1102 120.2081 58.8703 29.8649 178.5810 171 R 3.9082 8.0059 118.4569 59.4748 30.0767 179.0403 172 I 3.7744 7.8712 121.7202 64.8210 36.9951 179.0228 173 K 3.9329 8.2712 124.8126 59.9423 31.3962 180.8282 174 L 4.2435 8.2498 120.4562 57.9083 41.6272 179.1468 175 M 4.0384 7.9365 117.9314 58.9200 32.0512 177.8682 176 N 4.6103 8.5491 116.7069 56.4064 38.6766 177.3063 177 K 4.0580 7.9587 121.1336 59.3703 32.2100 178.3562 178 F 4.1531 8.5544 121.0490 61.6411 39.3195 176.9359 179 S 4.1877 8.8834 114.9305 61.8846 62.6331 176.8251 180 Q 4.1098 8.3340 123.1213 58.7821 28.8931 177.9586 181 I 3.6568 8.0341 121.1851 64.5504 36.9929 177.9643 182 F 3.7284 8.3263 120.2770 61.2488 39.4519 176.8901 183 L 3.9105 8.0281 118.3607 57.8156 41.3290 178.9194 184 N 4.3570 8.5344 117.0307 56.6497 38.3065 177.4104 185 G 3.5358 7.9816 105.8626 47.9029 0.0000 175.2841 186 L 3.9678 7.3201 119.5704 56.9013 41.6991 177.3068 187 S 4.2365 7.6653 119.2399 59.1655 64.5371 175.0151 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 N 8.42 4.74 0.00 2.75 2.88 0.00 0.00 7.05 6.89 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 3 L 7.53 4.23 0.00 1.88 1.65 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.87 4.13 0.00 1.47 1.72 0.00 1.40 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.66 1.12 7.81 5 D 8.05 4.67 0.00 2.79 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 6 K 7.85 3.98 0.00 1.79 2.04 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 7 I 7.80 3.74 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.94 0.81 0.00 0.00 8 L 7.96 3.99 0.00 1.91 1.75 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.90 3.56 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 0.00 10 V 7.68 3.52 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 11 A 7.99 3.50 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.15 3.92 0.00 1.98 2.07 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.55 7.81 13 E 8.16 4.10 0.00 2.26 1.89 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 2.29 2.38 0.00 14 L 7.67 3.95 0.00 1.46 1.48 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.92 4.52 0.00 3.36 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 16 I 7.87 3.89 1.91 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 1.41 0.63 0.92 0.00 0.00 17 K 7.89 4.16 0.00 1.88 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 N 9.20 5.02 0.00 2.69 2.90 0.00 0.00 7.43 7.53 0.00 0.00 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 G 7.86 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.51 3.92 0.00 2.54 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 21 N 9.11 4.19 0.00 2.74 2.88 0.00 0.00 7.15 7.17 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 22 A 7.99 4.13 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 23 T 7.53 4.31 4.56 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 0.89 0.00 0.00 24 T 8.01 4.21 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 1.22 0.00 0.00 25 T 8.41 4.01 4.31 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 1.31 0.00 0.00 26 G 7.86 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 0.00 0.00 0.00 27 E 8.06 3.89 0.00 2.01 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 2.32 2.36 0.00 28 I 7.21 3.54 2.02 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.84 0.00 0.00 29 V 8.40 3.87 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 1.17 0.00 0.00 1.07 0.00 0.00 30 K 8.04 3.96 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.33 7.81 31 L 7.95 4.53 0.00 1.85 1.67 0.90 0.79 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 32 S 8.01 4.61 0.00 4.05 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 33 E 7.92 3.70 0.00 2.17 1.90 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 2.17 2.09 0.00 34 S 7.92 5.06 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.85 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.65 4.27 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 37 G 8.04 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 0.00 0.00 0.00 38 N 8.06 4.39 0.00 2.87 3.12 0.00 0.00 6.85 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 39 L 8.23 4.33 0.00 2.11 2.09 1.02 1.09 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 40 Y 8.32 4.29 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.15 4.08 0.00 3.07 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 42 H 8.10 4.17 0.00 2.68 2.09 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.23 4.72 0.00 3.14 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 44 K 7.82 4.10 0.00 1.94 1.86 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 45 T 6.99 4.48 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 1.19 0.00 0.00 46 K 8.49 4.05 0.00 1.97 1.95 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.70 7.81 47 E 8.27 4.47 0.00 2.35 2.43 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 2.17 2.25 0.00 48 N 8.18 4.28 0.00 2.81 3.24 0.00 0.00 6.80 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 49 L 7.97 3.96 0.00 1.74 2.07 0.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.64 4.15 0.00 3.03 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 51 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.36 3.85 0.00 0.79 0.93 0.00 1.59 0.00 0.00 1.21 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.21 7.81 61 W 8.63 4.78 0.00 3.54 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 62 Q 8.13 3.86 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 63 E 8.14 4.14 0.00 1.98 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 2.25 2.20 0.00 64 Q 8.20 4.24 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 65 W 7.88 4.23 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 3.56 0.00 1.91 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.36 7.81 67 S 7.54 4.38 0.00 3.77 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.57 4.06 0.00 1.76 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 L 8.04 4.36 0.00 1.94 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.81 4.02 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 121 N 8.18 4.48 0.00 2.88 2.87 0.00 0.00 7.14 7.86 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 0.00 122 K 7.64 4.09 0.00 1.90 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *123 Y 7.32 4.34 0.00 2.45 2.33 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 0.00 124 I 7.99 4.32 1.95 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 1.64 0.75 1.02 0.00 0.00 125 D 8.15 4.55 0.00 2.72 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 0.00 126 A 7.67 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.72 3.78 0.00 3.26 3.28 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 0.00 128 H 8.86 4.23 0.00 3.35 3.60 0.00 5.79 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 0.00 129 V 8.46 3.72 2.33 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 1.04 0.00 0.00 1.09 0.00 0.00 130 I 7.51 3.78 1.57 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.99 0.00 0.00 131 F 8.10 4.69 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.06 0.00 2.09 2.07 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.58 7.81 133 E 8.55 4.21 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 134 G 8.33 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 9.03 4.70 0.00 3.14 3.01 0.00 0.00 6.57 7.22 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 0.00 136 L 7.73 4.11 0.00 1.66 1.74 0.96 0.95 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 0.00 137 N 7.80 4.83 0.00 2.85 2.64 0.00 0.00 7.27 7.85 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 0.00 138 G 7.70 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 0.00 139 E 7.55 3.93 0.00 1.16 1.12 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 1.91 1.83 0.00 140 W 6.83 4.80 0.00 3.40 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.45 5.63 0.00 3.97 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 0.00 142 I 8.05 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.91 0.00 0.00 143 N 8.66 4.34 0.00 2.64 2.85 0.00 0.00 7.02 8.06 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 0.00 144 D 7.55 4.60 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.95 3.33 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 0.85 0.00 0.00 0.92 0.00 0.00 146 N 8.32 4.09 0.00 3.04 2.91 0.00 0.00 6.97 8.01 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 0.00 147 A 7.79 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.67 3.58 1.55 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 0.39 0.00 0.00 0.74 0.00 0.00 149 S 8.76 4.24 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.89 4.02 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.36 7.81 151 I 8.25 3.90 2.10 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 1.09 0.00 0.00 152 A 7.95 3.60 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.29 3.60 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 7.95 4.30 0.00 2.78 2.87 0.00 0.00 7.00 8.83 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 0.00 155 A 8.20 3.85 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 0.00 156 V 7.69 3.06 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 1.02 0.00 0.00 0.95 0.00 0.00 157 N 8.52 4.44 0.00 3.17 2.88 0.00 0.00 7.20 8.54 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 0.00 158 G 7.98 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 0.00 0.00 0.00 159 I 7.34 3.68 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.32 0.81 0.00 0.00 160 V 7.73 3.56 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 0.63 0.00 0.00 0.58 0.00 0.00 161 T 7.31 4.07 3.60 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 1.02 0.00 0.00 162 F 7.31 5.20 0.00 3.14 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 0.00 163 T 7.68 4.55 4.28 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 1.22 0.00 0.00 164 H 8.60 4.95 0.00 3.17 3.43 0.00 5.71 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.11 4.68 0.00 1.96 1.81 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 2.11 1.82 0.00 166 Q 7.65 4.59 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 167 N 8.59 4.30 0.00 2.85 2.74 0.00 0.00 6.56 7.98 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 0.00 168 I 8.39 3.79 1.85 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 1.60 1.14 0.89 0.00 0.00 169 N 8.33 4.34 0.00 2.92 2.85 0.00 0.00 6.51 7.66 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 0.00 170 E 8.11 3.96 0.00 2.00 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 2.35 0.00 171 R 8.01 3.91 0.00 1.96 1.94 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 172 I 7.87 3.77 1.99 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 1.35 0.84 0.96 0.00 0.00 173 K 8.27 3.93 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 174 L 8.25 4.24 0.00 1.83 1.78 0.94 0.91 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 0.00 175 M 7.94 4.04 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 176 N 8.55 4.61 0.00 3.09 3.02 0.00 0.00 6.69 8.79 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 0.00 177 K 7.96 4.06 0.00 1.91 2.07 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.58 7.81 178 F 8.55 4.15 0.00 3.23 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 0.00 179 S 8.88 4.19 0.00 4.01 3.43 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 0.00 180 Q 8.33 4.11 0.00 2.49 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 181 I 8.03 3.66 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.89 0.00 0.00 182 F 8.33 3.73 0.00 2.05 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 0.00 183 L 8.03 3.91 0.00 1.84 1.77 1.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.53 4.36 0.00 2.99 2.88 0.00 0.00 6.95 7.27 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 0.00 185 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.32 3.97 0.00 1.52 1.47 0.32 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.67 4.24 0.00 3.84 3.74 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 * Residues marked with a * may have inaccurate shift predictions.