NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3687 8.3193 115.2881 58.3923 63.4410 173.0943 4 S 3.7779 8.1561 117.5998 57.6439 64.3865 173.2704 5 D 4.3197 8.1662 122.5024 52.9914 40.3089 175.0544 6 Y 4.3380 7.0490 120.9123 57.3389 38.9285 174.9045 7 I 4.4569 8.2480 125.0528 59.0405 38.7004 174.0908 8 P 4.4931 0.0000 0.0000 62.1457 31.9500 175.6348 9 D 4.7694 8.4886 120.9842 53.7530 41.8249 175.3579 10 S 4.5769 8.4549 119.2406 56.7866 66.1243 174.2139 11 K 3.9561 8.6557 123.5081 58.8072 32.2080 177.1467 12 F 5.4761 7.6126 115.1327 55.9206 42.8052 174.2691 13 Y 5.1391 9.0592 117.1419 56.3455 42.6294 174.3672 14 K 4.7894 9.7013 125.6012 55.7158 34.1670 175.3294 15 V 4.7968 8.9938 127.8225 61.1735 33.8066 173.6619 16 E 5.0564 9.5513 129.4727 54.4078 32.1836 174.1443 17 A 4.9193 9.2181 129.6496 50.2794 21.7932 175.0596 18 I 4.6889 8.6676 125.1621 60.4462 38.2737 175.4253 19 V 5.0155 8.3927 119.8625 57.6501 36.6654 175.6087 20 R 4.2067 8.2071 120.2888 55.7074 30.3520 176.3437 21 P 4.2575 0.0000 0.0000 65.4758 31.4539 177.7477 22 W 4.6690 8.1549 111.7861 57.3407 28.7638 177.0691 23 R 4.1839 7.5771 118.3142 56.1712 29.5748 177.8302 24 I 3.6152 7.2185 120.5697 64.7425 37.0914 178.2161 25 Q 4.0000 8.0430 118.0826 59.2075 28.6066 179.0048 26 Q 3.9737 7.9543 118.4635 58.9595 28.8602 178.8890 27 V 3.5586 7.6765 119.1702 65.8093 31.6202 178.0353 28 S 4.0552 8.2066 113.0321 61.6319 62.2916 176.4385 29 S 4.1469 8.5069 118.0436 61.3736 62.5808 176.5036 30 A 3.9947 8.0497 123.6062 55.1981 18.0392 179.7401 31 L 3.9759 7.9231 117.4381 57.7054 41.6411 179.4520 32 L 4.0605 7.8310 120.3220 58.0616 41.7806 179.1503 33 K 4.0825 7.9887 117.6479 58.4796 32.1800 177.6389 34 I 4.1601 7.3605 110.1334 60.4244 37.6497 176.1363 35 G 3.8361 8.1306 108.3983 46.1838 0.0000 173.2540 36 I 4.3783 7.9400 120.8763 59.0575 38.5520 175.2239 37 R 4.6290 8.5431 121.5711 54.5555 32.2394 175.6996 38 G 3.8925 8.8292 105.1048 45.2708 0.0000 173.5177 39 V 4.0468 7.5517 119.6792 62.9665 32.2573 175.3093 40 T 4.7673 9.0194 117.8483 59.9416 71.5852 173.2540 41 V 5.1452 8.4255 116.8757 59.7495 34.9533 174.9053 42 S 4.7785 8.8866 117.2103 56.6863 67.0210 172.5411 43 D 4.9338 8.6540 120.9497 54.1932 41.5294 176.2484 44 V 4.6181 8.7782 115.6459 59.5197 36.1812 174.6175 45 R 4.8529 8.4985 120.4275 54.3922 33.0837 175.2970 46 G 4.0676 9.3626 112.0324 45.0703 0.0000 174.1480 47 F 4.7295 9.3053 124.1282 57.6280 40.1042 176.3895 48 G 4.1203 7.5722 109.5823 44.4315 0.0000 171.0166 *64 E 4.1403 7.7678 117.0786 56.4181 31.6112 176.5730 65 D 4.8630 8.3903 119.0010 53.3410 39.6489 176.7796 66 K 4.3550 7.8526 120.1236 55.0877 33.7432 175.1086 67 F 4.8786 7.6726 120.0945 55.0191 41.6327 173.7912 68 V 4.3399 8.7380 119.5152 59.8766 33.3275 174.9255 69 A 4.6866 8.7162 127.6098 51.8630 19.0997 176.4413 70 K 4.8025 9.0603 121.0951 54.7251 37.3989 175.4988 71 V 4.8675 8.6399 114.1706 59.5332 35.1277 174.9726 72 K 4.7606 9.0489 126.8117 55.7728 33.8109 174.9707 73 M 5.1068 9.2958 127.5358 53.5996 34.7240 174.5824 74 E 5.2254 9.4946 123.4008 54.5323 33.1368 174.9730 75 I 4.8428 8.6484 123.6241 59.3627 42.1189 173.4858 76 V 4.9542 8.4650 128.1271 61.4020 33.3648 174.8126 77 V 4.8174 8.6830 119.7714 59.3109 36.7840 175.2622 78 K 4.5012 9.7405 121.4465 55.9112 32.2817 178.5703 79 K 4.1612 8.5437 122.3732 59.7639 32.1446 178.2926 80 D 4.6012 8.0666 115.5173 54.6410 39.9675 177.0183 81 Q 4.4275 8.0228 118.9300 56.3267 29.1989 177.5967 82 V 3.5581 7.4114 119.8889 66.1320 31.6005 177.7031 83 E 3.9928 8.1871 117.7889 59.5378 29.3903 179.4250 84 S 4.1369 8.0011 114.8065 61.3861 62.9813 176.7568 85 V 3.5421 7.8853 120.9446 65.9642 31.3425 177.9016 86 I 3.6370 7.9521 119.8736 64.8081 37.0507 178.2332 87 N 4.3679 8.1186 116.9396 56.6229 38.3159 177.7005 88 T 3.9927 7.9214 117.0639 66.2308 68.4976 177.1454 89 I 3.6878 7.8371 122.0830 64.1822 37.1699 178.1328 90 I 3.6150 7.6514 120.7180 64.5423 36.7701 177.8773 91 E 4.0031 7.9837 118.4570 59.4484 29.5209 178.9202 92 G 3.6327 8.0086 104.0947 46.6433 0.0000 174.5839 93 A 4.4088 7.5805 120.7927 51.2924 20.7413 177.0255 94 R 4.0925 7.9476 119.0796 56.5734 30.5281 176.1214 95 T 4.3904 8.7932 114.3392 61.0736 70.6099 175.4246 96 G 3.9930 8.6974 109.7987 44.9153 0.0000 173.1115 97 E 4.6105 7.7389 119.1230 54.1324 31.3624 175.5105 98 I 3.6767 8.2444 121.7687 63.6029 37.4201 176.1304 99 G 4.2060 9.0235 112.9499 45.6311 0.0000 174.2122 100 D 4.2828 7.9222 122.0793 56.2785 41.1438 174.8945 101 G 4.4197 7.8872 101.6966 44.5485 0.0000 172.3089 102 K 4.5598 8.2769 115.9968 54.5799 36.9169 175.4098 103 I 4.6690 7.7959 121.6887 59.4860 39.9903 175.0092 104 F 5.0261 9.3224 125.4858 55.6045 42.0488 174.4982 105 V 4.8517 8.5409 122.5298 61.1894 33.2358 174.5289 106 L 5.0861 9.1405 128.3112 51.8655 45.1151 174.3798 107 P 4.0661 0.0000 0.0000 62.8537 31.7291 175.6159 108 V 4.2714 8.1558 123.0207 61.2913 33.4786 176.5341 109 S 4.1954 8.9310 124.5651 61.4467 63.1209 173.8742 110 D 4.6851 7.4542 115.7945 52.9235 44.0426 173.9236 111 V 4.3134 7.7297 122.4997 61.0234 34.8891 174.1328 112 I 5.0041 8.0569 127.0143 59.4860 40.8444 174.6441 113 R 4.0784 8.7613 128.2239 55.7177 30.5225 177.0279 114 V 3.5158 8.7193 126.7172 66.1302 31.7926 177.9015 115 R 4.0067 8.0881 118.1023 58.5791 30.0269 176.8299 116 T 4.3493 7.5197 105.9941 60.5659 70.5933 175.2800 117 G 3.9191 8.6992 109.2818 45.0804 0.0000 173.1691 118 E 4.0944 7.7516 119.1186 56.1142 30.0850 176.4218 119 R 5.5557 7.6543 120.3960 53.5291 34.6257 176.3634 120 G 4.0622 8.3365 107.0672 47.2338 0.0000 176.0518 121 E 4.3277 9.0300 120.6890 58.8363 29.9288 176.8715 122 K 4.2029 7.6127 121.0123 56.6252 32.0322 176.6268 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 3 S 8.32 4.37 0.00 3.82 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 4 S 8.16 3.78 0.00 3.80 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 5 D 8.17 4.32 0.00 2.51 2.54 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 6 Y 7.05 4.34 0.00 3.03 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 7 I 8.25 4.46 1.94 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 1.46 0.84 0.96 0.00 0.00 8 P 0.00 4.49 0.00 2.08 2.02 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 9 D 8.49 4.77 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.45 4.58 0.00 3.52 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 11 K 8.66 3.96 0.00 1.77 1.22 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.37 7.81 12 F 7.61 5.48 0.00 3.17 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 13 Y 9.06 5.14 0.00 2.89 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 14 K 9.70 4.79 0.00 1.83 1.71 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 15 V 8.99 4.80 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 0.84 0.00 0.00 0.92 0.00 0.00 16 E 9.55 5.06 0.00 2.14 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 2.31 2.29 0.00 17 A 9.22 4.92 1.15 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 18 I 8.67 4.69 1.89 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 1.36 1.18 0.96 0.00 0.00 19 V 8.39 5.02 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 0.92 0.00 0.00 0.84 0.00 0.00 20 R 8.21 4.21 0.00 1.37 1.70 0.00 2.85 0.00 0.00 3.55 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 21 P 0.00 4.26 0.00 2.31 2.19 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 22 W 8.15 4.67 0.00 3.56 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 23 R 7.58 4.18 0.00 1.61 1.77 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 24 I 7.22 3.62 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.91 0.00 0.00 25 Q 8.04 4.00 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 26 Q 7.95 3.97 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 27 V 7.68 3.56 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 0.95 0.00 0.00 0.89 0.00 0.00 28 S 8.21 4.06 0.00 3.98 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 29 S 8.51 4.15 0.00 3.94 3.89 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 30 A 8.05 3.99 1.41 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 31 L 7.92 3.98 0.00 1.95 1.73 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.83 4.06 0.00 1.97 1.83 0.92 0.41 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 33 K 7.99 4.08 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 34 I 7.36 4.16 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 1.23 0.69 0.91 0.00 0.00 35 G 8.13 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 36 I 7.94 4.38 1.97 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 1.37 0.97 0.93 0.00 0.00 37 R 8.54 4.63 0.00 1.87 1.91 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 38 G 8.83 3.89 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 0.00 0.00 0.00 39 V 7.55 4.05 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 0.82 0.00 0.00 0.93 0.00 0.00 40 T 9.02 4.77 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 1.21 0.00 0.00 41 V 8.43 5.15 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 0.76 0.00 0.00 0.93 0.00 0.00 42 S 8.89 4.78 0.00 3.83 3.89 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 43 D 8.65 4.93 0.00 2.59 2.65 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 44 V 8.78 4.62 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 0.74 0.00 0.00 0.96 0.00 0.00 45 R 8.50 4.85 0.00 1.43 0.95 0.00 2.21 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.25 0.00 46 G 9.36 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 0.00 0.00 0.00 47 F 9.31 4.73 0.00 3.06 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 48 G 7.57 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 *64 E 7.77 4.14 0.00 2.03 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 2.24 2.36 0.00 65 D 8.39 4.86 0.00 2.82 2.87 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 66 K 7.85 4.36 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.34 7.81 67 F 7.67 4.88 0.00 2.24 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 68 V 8.74 4.34 2.07 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 0.80 0.00 0.00 0.96 0.00 0.00 69 A 8.72 4.69 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 70 K 9.06 4.80 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.57 7.81 71 V 8.64 4.87 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 0.75 0.00 0.00 0.91 0.00 0.00 72 K 9.05 4.76 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 73 M 9.30 5.11 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 74 E 9.49 5.23 0.00 1.95 1.82 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 2.23 2.23 0.00 75 I 8.65 4.84 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.23 0.92 0.00 0.00 76 V 8.47 4.95 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 0.87 0.00 0.00 0.93 0.00 0.00 77 V 8.68 4.82 2.32 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 0.73 0.00 0.00 1.01 0.00 0.00 78 K 9.74 4.50 0.00 2.01 1.65 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.57 7.81 79 K 8.54 4.16 0.00 2.24 1.91 0.00 2.09 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.68 7.81 80 D 8.07 4.60 0.00 2.81 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 81 Q 8.02 4.43 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 82 V 7.41 3.56 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 0.73 0.00 0.00 0.90 0.00 0.00 83 E 8.19 3.99 0.00 2.04 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 2.52 2.39 0.00 84 S 8.00 4.14 0.00 4.01 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 85 V 7.89 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 86 I 7.95 3.64 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.86 0.00 0.00 87 N 8.12 4.37 0.00 2.77 2.85 0.00 0.00 7.14 7.19 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 88 T 7.92 3.99 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 89 I 7.84 3.69 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.84 0.00 0.00 90 I 7.65 3.61 1.99 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 1.35 0.62 0.87 0.00 0.00 91 E 7.98 4.00 0.00 2.03 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 2.30 2.32 0.00 92 G 8.01 3.63 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 0.00 0.00 0.00 93 A 7.58 4.41 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 94 R 7.95 4.09 0.00 1.72 1.88 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 95 T 8.79 4.39 4.37 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 1.19 0.00 0.00 96 G 8.70 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 97 E 7.74 4.61 0.00 2.06 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 2.28 2.30 0.00 98 I 8.24 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.92 0.00 0.00 99 G 9.02 4.21 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 0.00 0.00 0.00 100 D 7.92 4.28 0.00 2.64 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 0.00 101 G 7.89 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.28 4.56 0.00 1.20 0.89 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.38 7.81 103 I 7.80 4.67 1.71 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 1.22 0.45 0.86 0.00 0.00 104 F 9.32 5.03 0.00 2.92 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 0.00 105 V 8.54 4.85 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 0.46 0.00 0.00 0.77 0.00 0.00 106 L 9.14 5.09 0.00 1.64 1.54 0.99 0.82 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 0.00 107 P 0.00 4.07 0.00 1.95 1.92 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 108 V 8.16 4.27 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 0.94 0.00 0.00 0.96 0.00 0.00 109 S 8.93 4.20 0.00 3.89 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 0.00 110 D 7.45 4.69 0.00 2.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.73 4.31 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 0.74 0.00 0.00 0.10 0.00 0.00 112 I 8.06 5.00 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.88 0.00 0.00 113 R 8.76 4.08 0.00 1.88 1.78 0.00 3.09 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 114 V 8.72 3.52 2.07 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 0.89 0.00 0.00 0.91 0.00 0.00 115 R 8.09 4.01 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 116 T 7.52 4.35 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 1.21 0.00 0.00 117 G 8.70 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.75 4.09 0.00 2.09 1.77 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 2.33 2.28 0.00 119 R 7.65 5.56 0.00 1.83 1.81 0.00 3.55 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 120 G 8.34 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 0.00 121 E 9.03 4.33 0.00 2.04 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 0.00 2.37 2.34 0.00 122 K 7.61 4.20 0.00 1.98 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.