NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2650 8.1593 117.3738 63.5655 69.8065 173.9534 2 S 4.4627 8.2919 121.1391 55.7654 66.6103 173.4879 3 K 4.0201 9.1547 123.2145 59.6835 32.3375 179.5884 4 K 3.8588 8.1092 118.1808 59.6778 31.7969 178.9931 5 K 4.0092 7.6729 117.9104 58.9222 32.1256 177.9556 6 R 4.3460 7.6117 115.8908 56.6264 30.6131 177.9000 7 Q 4.1253 7.9861 119.7799 57.4599 28.4283 176.1965 8 R 3.9357 7.5941 118.7323 58.7479 30.1885 176.0916 9 G 4.1240 9.0325 111.5617 45.7677 0.0000 174.4620 10 S 4.1225 8.2008 113.6049 58.8576 63.1516 173.8104 11 R 4.1206 7.8127 124.1173 57.3030 29.2600 176.5564 12 T 4.2279 7.5791 105.4242 61.7058 69.6832 174.3534 13 H 4.7199 8.4174 117.6982 55.8799 26.8381 175.8775 14 G 3.9685 8.4191 106.2327 45.6032 0.0000 175.7428 15 G 3.6550 8.1113 107.9863 46.0532 0.0000 175.6645 16 G 3.9702 7.3046 107.0866 44.7201 0.0000 174.3292 17 S 4.1893 8.5798 117.8073 58.5589 62.7218 174.6547 18 H 4.4516 8.8131 121.0859 57.0527 28.3358 175.9014 19 K 4.0618 7.5411 118.6472 57.1225 31.7385 177.5493 20 N 4.3340 7.4598 117.7556 55.7864 39.2464 176.8645 21 R 4.4272 7.4292 120.4276 56.5117 29.1115 177.1420 22 R 4.5799 7.3312 121.7860 56.1329 30.6121 180.4340 23 G 4.0552 8.5572 123.2705 46.1838 0.0000 174.1371 24 A 4.2975 8.6254 121.3490 53.9717 18.4597 179.7688 25 G 3.5382 8.0113 104.5549 47.7635 0.0000 175.1658 26 H 4.4424 8.0148 119.1844 58.0716 29.9490 176.3571 27 R 4.4873 7.8751 117.1328 55.4101 30.9715 176.5700 28 G 3.8011 7.4315 106.9869 46.0791 0.0000 172.5894 29 G 3.9955 7.7222 105.0927 43.5203 0.0000 174.2523 30 R 4.3378 8.6200 118.4282 56.1173 32.1508 176.5237 31 G 3.8411 8.1583 111.0261 47.5122 0.0000 173.6657 32 D 4.7293 8.7040 124.4157 53.6840 40.6148 175.4678 33 A 3.9003 7.4689 122.2444 54.0385 18.8195 178.7405 34 G 3.7664 8.9703 109.2095 46.1103 0.0000 175.4234 35 R 4.0299 7.6821 116.8464 57.4263 29.3471 177.2231 36 D 4.9918 7.9252 115.9040 52.6460 42.0377 175.2543 37 K 4.4544 8.3252 116.5319 57.3369 32.5323 177.1223 38 H 4.5457 9.8044 123.3120 58.4240 28.1327 176.5086 39 E 4.7238 7.9934 120.4336 55.5393 30.3627 178.1974 40 F 5.1839 8.2093 115.8975 59.3724 38.2967 175.0824 41 H 3.6763 6.0036 116.7237 57.2930 28.7778 174.4833 42 N 4.2383 8.7216 118.9383 54.8290 36.0941 173.7315 43 H 4.9422 7.5286 112.0529 53.5910 31.8786 174.1351 44 E 4.1784 8.6626 122.7605 55.3061 30.0097 175.3962 45 P 4.4483 0.0000 0.0000 62.5375 31.9139 176.2309 46 L 4.0829 8.1327 119.5441 55.3586 42.1879 175.9515 47 G 4.2547 8.1765 105.9904 43.5509 0.0000 173.4144 48 K 4.5164 8.1947 119.8648 54.8078 33.7241 176.6298 49 S 4.4182 8.0940 116.2065 57.5566 65.3247 175.0414 50 G 4.0430 9.2184 118.0006 45.4839 0.0000 171.8029 51 F 4.9926 8.3982 113.1320 55.5355 40.8687 173.4113 52 K 4.3006 8.3553 119.9927 54.4785 34.7681 176.5109 53 R 4.4528 8.0731 121.7254 54.2826 31.3966 174.7341 54 P 4.3412 0.0000 0.0000 63.0070 31.4824 177.0846 55 Q 3.9172 9.0114 120.8884 59.1886 28.7006 178.7956 56 K 4.3033 7.9774 113.1752 57.3742 32.9924 177.0904 57 V 4.2166 7.8389 118.4689 62.8344 32.2949 175.2319 58 Q 4.3988 7.5557 117.7877 55.7629 29.5796 174.8583 59 E 4.8378 8.5841 121.4680 54.5970 31.6591 174.8876 60 E 4.5825 9.3394 123.7057 54.4070 32.1409 174.2229 61 A 4.4155 8.3666 128.5890 50.1843 21.0923 175.7592 62 A 4.3975 8.5773 124.6426 51.1571 20.0066 176.6343 63 T 5.5144 8.2711 112.4122 59.4612 71.9616 173.5507 64 I 4.5775 7.8055 121.6030 59.9471 41.8532 173.6222 65 D 5.1754 8.6870 128.4347 53.5005 42.1642 177.7391 66 V 3.6608 8.5120 116.3371 64.7836 31.4753 178.8492 67 R 3.8891 7.7722 118.4373 59.6515 29.5846 178.1723 68 E 3.9221 7.9556 117.7666 59.3742 29.9060 178.5329 69 I 3.7583 7.6560 119.4698 64.3378 37.1087 177.4159 70 D 4.3327 8.3389 119.2595 57.5623 41.1233 177.8992 71 E 4.1419 8.0590 116.6136 58.0624 29.7929 177.0902 72 N 4.9160 8.3037 115.9135 52.8140 39.5634 176.4697 73 V 3.2001 7.8278 113.9358 64.6637 31.6513 177.8396 74 T 3.9850 7.6366 107.9715 64.6345 68.7838 175.7851 75 L 4.0358 7.7599 120.4726 56.6304 42.0211 177.4805 76 L 4.3921 7.6459 121.4455 53.8080 40.6119 177.8942 77 A 4.0979 7.6382 120.8744 54.5983 19.1383 178.6825 78 A 4.3288 7.9504 116.5485 52.7025 18.4268 176.1809 79 D 5.0632 7.3666 114.9157 51.9514 44.3688 175.3998 80 D 4.4469 8.5599 119.1924 55.5254 41.1372 176.7413 81 V 4.5684 8.0691 122.2015 60.8877 32.1683 176.2687 82 A 4.4961 7.8313 135.0000 51.4927 18.4356 178.7037 83 E 3.9167 8.6111 113.1669 59.1855 30.2371 176.8967 *89 F 4.5897 7.6686 118.2753 57.5246 41.1184 173.6464 90 R 5.2631 8.4970 120.2256 54.6868 32.5029 174.9661 91 V 4.4656 8.9767 125.7916 60.0658 35.2082 174.3110 92 D 4.9205 8.7753 124.3496 52.8283 41.0945 176.3477 93 V 3.5958 8.5669 127.6091 66.0805 31.7017 178.5100 94 R 4.1269 8.0677 117.1580 58.9684 29.8990 176.8282 95 D 4.6623 8.3385 115.5644 54.4806 41.5032 177.0457 96 V 4.0048 8.0849 119.0649 64.3491 32.4711 176.5569 97 V 3.6452 7.5570 118.4245 62.7876 31.7545 175.2725 98 E 4.1244 8.5801 126.7544 57.2484 30.2967 175.9883 99 E 3.6638 8.5489 118.6590 57.6542 26.4882 175.3803 100 A 4.3125 7.8942 121.3537 54.0089 20.3058 179.5051 101 D 4.4889 8.1404 116.1441 57.7644 41.0079 178.6174 102 D 4.5329 7.8906 115.8640 53.4268 40.0758 175.6445 103 A 4.7180 7.9009 121.4390 51.1069 22.1997 177.7342 104 D 4.5327 8.8767 121.8226 57.7000 41.5456 176.2923 105 Y 4.7697 7.1523 111.7405 56.3658 41.9979 173.3333 106 V 4.5938 8.9983 121.4291 61.3813 33.5719 174.4072 107 K 4.8504 9.0392 129.2823 54.5355 34.9290 174.5730 108 V 4.5873 8.1274 127.4823 61.7765 32.9818 174.8730 109 L 4.5041 9.3328 128.6157 52.7681 44.2303 176.7041 110 G 4.4307 8.1995 107.9821 45.2017 0.0000 173.0339 111 A 4.6515 8.2959 121.0622 51.7063 21.8750 178.7377 112 G 3.8343 8.9341 108.3955 44.2950 0.0000 172.3407 113 Q 4.6171 8.2157 116.7556 54.1702 31.2871 175.8617 114 V 4.3797 7.9373 118.4876 61.5880 32.0671 174.4203 115 R 4.5219 8.6891 123.8982 56.0405 30.0068 176.1274 116 H 4.9429 7.8844 114.0332 54.1017 32.9285 172.4711 117 E 4.6601 8.7925 119.2696 55.7105 30.1967 175.5964 118 L 5.1107 8.6009 124.1850 53.1000 45.7464 175.9614 119 T 4.8897 8.8614 119.0419 61.9771 70.5636 172.3734 120 L 5.2108 8.4778 126.4371 53.1209 44.3910 175.7391 121 I 5.5855 8.8250 123.4660 58.9171 39.8618 174.5838 122 A 4.7656 8.6350 126.9918 50.6974 22.2580 176.4421 123 D 4.4639 8.7408 118.7458 57.3034 42.1509 176.0315 124 D 4.7848 7.8606 115.8271 53.1730 45.1972 174.1892 125 F 5.4253 8.5351 120.1965 55.9931 43.4808 174.5121 126 S 4.5958 8.5414 116.5298 57.3396 64.9844 174.9065 127 E 4.0668 8.9584 120.2858 59.4776 29.2976 178.9419 128 G 3.6206 8.1290 105.0788 47.5412 0.0000 175.3570 129 A 4.0783 8.0633 123.0999 55.3624 18.4851 179.5889 130 R 3.7452 7.9631 116.0571 59.1712 30.1352 178.7751 131 E 3.9274 8.2945 117.9951 59.8729 28.3357 180.1692 132 K 3.9970 8.0940 118.0443 59.3801 32.0021 179.7604 133 V 3.6983 7.8425 118.5072 66.0334 31.6004 178.0230 134 E 4.5007 8.1784 120.2089 58.7926 29.1761 179.0814 135 G 3.9121 8.0837 102.0753 45.6749 0.0000 173.3228 136 A 4.6844 7.1114 121.3443 51.6569 19.7668 176.1790 137 G 3.8482 8.0895 104.4899 48.6920 0.0000 173.5601 138 G 4.4844 7.7753 105.8662 44.1854 0.0000 172.3823 139 S 4.8629 9.0126 112.7886 56.6574 66.9700 173.3520 140 V 4.3684 8.1626 120.3884 61.1727 33.7079 174.3831 141 E 4.5829 8.9776 128.6150 54.4184 31.2904 175.1736 142 L 4.8495 8.5177 127.7195 54.9786 43.0594 176.7525 143 T 4.2024 8.4893 122.6139 63.3862 69.7475 175.3598 144 D 4.3538 8.7715 121.9967 57.5470 41.0875 179.1057 145 L 3.9635 7.9920 119.8958 57.8665 42.3508 178.0377 146 G 3.8762 7.8564 106.7327 46.9241 0.0000 174.2496 147 E 4.5317 7.7316 119.5903 56.8349 29.1422 178.0737 148 E 4.1593 8.2001 121.5426 58.7584 29.9578 177.7643 149 R 4.1527 7.8660 117.8702 55.3606 27.9626 176.2412 150 Q 4.3177 8.0606 121.8321 56.7813 29.3774 173.2122 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 1 T 8.16 4.26 4.24 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 0.00 0.00 1.20 0.00 0.00 2 S 8.29 4.46 0.00 4.09 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 3 K 9.15 4.02 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.11 3.86 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.67 4.01 0.00 1.67 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.61 4.35 0.00 1.93 1.93 0.00 3.21 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 Q 7.99 4.13 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 8 R 7.59 3.94 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 G 9.03 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 0.00 0.00 0.00 10 S 8.20 4.12 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.81 4.12 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.58 4.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 H 8.42 4.72 0.00 3.24 3.41 0.00 5.67 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 14 G 8.42 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.11 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.30 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.58 4.19 0.00 3.87 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 18 H 8.81 4.45 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.54 4.06 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.31 7.81 20 N 7.46 4.33 0.00 2.73 2.56 0.00 0.00 6.96 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.43 4.43 0.00 1.78 1.91 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 22 R 7.33 4.58 0.00 1.75 0.88 0.00 3.22 0.00 0.00 3.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 23 G 8.56 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.63 4.30 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 25 G 8.01 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 26 H 8.01 4.44 0.00 3.12 3.48 0.00 5.92 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 27 R 7.88 4.49 0.00 2.08 1.93 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 28 G 7.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.34 0.00 1.89 1.86 0.00 3.28 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 31 G 8.16 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 0.00 0.00 0.00 32 D 8.70 4.73 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 33 A 7.47 3.90 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 34 G 8.97 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 0.00 0.00 0.00 35 R 7.68 4.03 0.00 1.56 1.96 0.00 2.73 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 36 D 7.93 4.99 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.33 4.45 0.00 1.77 1.58 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.36 7.81 38 H 9.80 4.55 0.00 3.32 3.46 0.00 5.48 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.99 4.72 0.00 2.06 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 2.21 2.11 0.00 40 F 8.21 5.18 0.00 3.21 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 41 H 6.00 3.68 0.00 2.92 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.72 4.24 0.00 2.79 2.83 0.00 0.00 6.80 8.16 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 43 H 7.53 4.94 0.00 3.48 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.66 4.18 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.45 0.00 2.19 2.09 0.00 3.80 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 2.01 2.02 0.00 46 L 8.13 4.08 0.00 1.66 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.18 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 0.00 0.00 0.00 0.00 48 K 8.19 4.52 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 S 8.09 4.42 0.00 3.77 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 50 G 9.22 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 51 F 8.40 4.99 0.00 3.14 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 52 K 8.36 4.30 0.00 1.69 1.64 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.35 7.81 53 R 8.07 4.45 0.00 1.76 1.88 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.50 0.00 54 P 0.00 4.34 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 9.01 3.92 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.98 4.30 0.00 1.87 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 57 V 7.84 4.22 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.56 4.40 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 59 E 8.58 4.84 0.00 2.03 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 2.30 2.31 0.00 60 E 9.34 4.58 0.00 1.96 1.73 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 2.09 2.15 0.00 61 A 8.37 4.42 0.31 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 62 A 8.58 4.40 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 63 T 8.27 5.51 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 1.10 0.00 0.00 64 I 7.81 4.58 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.87 0.00 0.00 65 D 8.69 5.18 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.51 3.66 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 0.89 0.00 0.00 1.00 0.00 0.00 67 R 7.77 3.89 0.00 1.92 2.00 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 68 E 7.96 3.92 0.00 2.00 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 2.30 2.33 0.00 69 I 7.66 3.76 1.99 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 1.51 0.40 0.89 0.00 0.00 70 D 8.34 4.33 0.00 2.65 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 71 E 8.06 4.14 0.00 2.03 1.96 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 2.34 2.49 0.00 72 N 8.30 4.92 0.00 2.59 2.70 0.00 0.00 6.82 7.44 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 73 V 7.83 3.20 0.67 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 0.31 0.00 0.00 0.40 0.00 0.00 74 T 7.64 3.99 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 1.23 0.00 0.00 75 L 7.76 4.04 0.00 1.73 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.65 4.39 0.00 1.75 1.57 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.64 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.95 4.33 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 79 D 7.37 5.06 0.00 2.81 2.59 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 80 D 8.56 4.45 0.00 3.10 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.07 4.57 2.09 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 0.72 0.00 0.00 1.08 0.00 0.00 82 A 7.83 4.50 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.92 0.00 2.04 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 2.24 2.29 0.00 *89 F 7.67 4.59 0.00 3.07 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 90 R 8.50 5.26 0.00 1.81 1.82 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.98 4.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 92 D 8.78 4.92 0.00 2.86 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 93 V 8.57 3.60 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 0.85 0.00 0.00 0.99 0.00 0.00 94 R 8.07 4.13 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 95 D 8.34 4.66 0.00 2.71 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 96 V 8.08 4.00 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 0.72 0.00 0.00 0.92 0.00 0.00 97 V 7.56 3.65 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 0.80 0.00 0.00 0.95 0.00 0.00 98 E 8.58 4.12 0.00 1.97 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 2.29 2.30 0.00 99 E 8.55 3.66 0.00 2.08 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 0.00 2.18 2.26 0.00 100 A 7.89 4.31 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 0.00 101 D 8.14 4.49 0.00 2.71 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 0.00 102 D 7.89 4.53 0.00 2.77 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 0.00 103 A 7.90 4.72 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 0.00 104 D 8.88 4.53 0.00 2.80 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 0.00 105 Y 7.15 4.77 0.00 3.20 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 0.00 106 V 9.00 4.59 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 0.82 0.00 0.00 0.89 0.00 0.00 107 K 9.04 4.85 0.00 1.85 1.50 0.00 1.93 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.33 7.81 108 V 8.13 4.59 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 1.06 0.00 0.00 0.69 0.00 0.00 109 L 9.33 4.50 0.00 1.73 1.57 0.90 0.45 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 0.00 110 G 8.20 4.43 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 0.00 111 A 8.30 4.65 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 0.00 112 G 8.93 3.83 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 0.00 0.00 0.00 113 Q 8.22 4.62 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.94 4.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 115 R 8.69 4.52 0.00 1.92 1.90 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 116 H 7.88 4.94 0.00 3.17 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.79 4.66 0.00 2.19 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 2.34 0.00 118 L 8.60 5.11 0.00 1.64 1.63 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.86 4.89 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 1.23 0.00 0.00 120 L 8.48 5.21 0.00 1.80 1.83 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.82 5.59 2.07 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 1.18 0.63 1.07 0.00 0.00 122 A 8.63 4.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.74 4.46 0.00 2.95 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 0.00 124 D 7.86 4.78 0.00 2.78 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 0.00 125 F 8.54 5.43 0.00 2.91 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 0.00 126 S 8.54 4.60 0.00 3.96 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 0.00 127 E 8.96 4.07 0.00 2.08 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 2.54 2.40 0.00 128 G 8.13 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 0.00 129 A 8.06 4.08 1.60 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 0.00 130 R 7.96 3.75 0.00 2.04 1.92 0.00 3.15 0.00 0.00 3.10 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 131 E 8.29 3.93 0.00 2.03 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 2.34 2.56 0.00 132 K 8.09 4.00 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 133 V 7.84 3.70 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 1.06 0.00 0.00 1.04 0.00 0.00 134 E 8.18 4.50 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 135 G 8.08 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 0.00 136 A 7.11 4.68 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 0.00 137 G 8.09 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 0.00 0.00 0.00 138 G 7.78 4.48 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 0.00 139 S 9.01 4.86 0.00 3.79 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 0.00 140 V 8.16 4.37 1.68 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 -0.27 0.00 0.00 0.09 0.00 0.00 141 E 8.98 4.58 0.00 1.98 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 2.23 2.21 0.00 142 L 8.52 4.85 0.00 1.72 1.63 1.26 1.14 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 0.00 143 T 8.49 4.20 4.43 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 1.24 0.00 0.00 144 D 8.77 4.35 0.00 2.71 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 0.00 145 L 7.99 3.96 0.00 1.61 1.86 1.00 0.96 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 0.00 146 G 7.86 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 0.00 0.00 0.00 147 E 7.73 4.53 0.00 2.11 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 2.35 2.56 0.00 148 E 8.20 4.16 0.00 1.84 1.92 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 2.25 2.51 0.00 149 R 7.87 4.15 0.00 1.80 1.92 0.00 3.35 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 150 Q 8.06 4.32 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.