NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.5028 8.1876 121.9838 56.0135 30.5726 173.7233 4 K 4.5895 8.4215 124.1870 55.0883 35.9611 173.4186 5 A 4.6241 8.6474 122.4615 49.9962 22.5259 176.6188 6 V 4.1253 8.4138 123.1106 62.7945 31.8256 175.2375 7 I 4.1885 8.6906 122.1754 62.4249 39.0040 176.0055 8 L 4.8164 7.7016 123.5063 52.1462 44.7682 176.5413 9 D 4.7275 8.4518 124.3818 52.0298 42.8577 176.3547 10 E 3.8984 8.6142 118.4495 59.8484 29.3542 178.6413 11 Q 3.9185 8.1362 118.7123 59.1035 29.1566 177.8742 12 A 3.9841 8.5600 122.0224 55.0605 18.3013 179.7067 13 I 3.6391 7.8985 118.3919 64.4797 37.2286 178.5447 14 R 3.8753 8.1741 119.6570 59.6650 29.8565 178.8165 15 R 3.9589 8.3213 117.7655 59.0135 29.9155 178.9575 16 A 3.9922 8.2240 120.7562 55.2425 18.3451 179.7244 17 L 3.9385 8.2217 117.7746 58.1819 41.6456 179.9924 18 T 3.8817 8.0583 115.8316 66.4491 68.3187 176.7900 19 R 3.9471 8.2305 120.7946 59.5387 30.0426 178.6295 20 I 3.7217 8.0996 119.5958 64.2302 37.0285 178.1489 21 A 3.8638 8.1948 121.8223 55.6155 18.1701 179.4003 22 H 4.0588 8.2591 114.5376 59.1129 28.7866 177.9597 23 E 4.0825 8.6575 120.7630 59.6142 29.2795 179.3372 24 M 3.9692 8.2108 119.0639 58.4004 31.8173 178.8525 25 I 3.7032 7.8962 120.0180 64.4537 37.0424 178.4303 26 E 4.0857 8.1971 118.4491 59.4465 29.4063 179.1160 27 R 4.2090 8.1649 117.5566 58.1286 30.1519 176.6360 28 N 4.9498 7.7888 114.4994 52.2282 39.4245 176.0200 29 K 3.8052 7.7776 121.8247 58.3257 31.9039 175.4704 *34 C 4.5092 7.6718 115.1137 59.2382 32.7027 172.8211 35 I 4.6547 8.2529 124.7095 59.5464 39.7434 174.4825 36 L 4.9472 8.6962 127.0755 53.4658 43.8033 175.8613 37 V 4.6693 8.8621 123.2033 61.0486 34.4640 174.8197 38 G 4.2691 8.9549 116.1549 45.7219 0.0000 172.1076 39 I 5.0069 8.2403 115.3930 59.7062 41.0812 174.5270 40 K 4.4410 8.7740 123.4160 56.6787 31.6728 177.1409 41 T 3.8151 8.5149 117.6792 67.3045 68.3184 177.0554 42 R 4.3512 8.1101 118.9423 58.7000 30.1607 179.0964 43 G 4.1733 7.8688 106.9142 47.2327 0.0000 175.7481 44 I 3.6249 7.7132 122.1154 64.4333 37.1124 178.1651 45 Y 4.2129 7.5015 117.6729 61.0510 37.5962 178.5689 46 L 4.0382 8.4959 120.1643 57.7324 41.6569 179.3708 47 A 3.9881 8.2794 120.9002 55.1581 18.3638 179.8844 48 K 3.9412 8.1013 116.9997 59.5381 32.1032 179.8698 49 R 3.9346 8.1994 118.3932 59.2567 29.9342 179.0450 50 L 3.9477 8.2948 118.9140 57.7678 41.6158 179.4221 51 A 3.9469 8.1933 120.7980 55.1755 18.2983 179.3499 52 E 3.9096 8.1588 117.6725 59.3613 29.6974 179.3034 53 R 3.9178 8.1353 118.2304 59.3181 30.1159 179.1007 54 I 3.6892 8.0402 119.9524 64.3814 36.9758 178.3999 55 E 4.2196 8.1563 120.8372 58.9881 29.0565 179.3732 56 Q 4.0002 7.9285 117.1041 58.1819 28.7769 178.3219 57 I 4.0056 7.3672 120.3189 64.0359 37.6858 177.5774 58 E 4.2415 8.6586 117.7699 56.7798 29.7052 177.9756 59 G 3.9981 8.4835 106.5889 44.8799 0.0000 172.8192 60 N 5.0718 7.5803 116.7664 50.0972 41.5436 172.3071 61 P 4.3511 0.0000 0.0000 62.9322 31.9159 175.7651 62 V 4.3532 8.0798 119.1181 61.2169 33.9310 175.3681 63 T 4.2548 8.3642 123.7294 63.3824 69.8605 173.5071 64 V 4.7750 8.4238 124.9596 61.1889 34.2486 174.5053 65 G 4.4812 9.2048 114.7423 44.5593 0.0000 170.8248 66 E 5.2931 8.9897 115.8708 54.9614 33.2762 174.2511 67 I 4.6441 8.4160 122.4128 59.6027 39.9595 174.6739 68 D 4.7034 9.4036 127.6480 53.2352 41.9972 175.0064 69 I 5.1384 8.2721 126.2993 59.6794 40.8236 175.0012 70 T 4.5578 8.8453 120.2203 60.1946 70.3820 173.1518 71 L 4.6448 8.2538 127.5613 54.8674 43.3847 175.9027 72 Y 4.8320 8.0339 118.2773 57.2433 42.8804 174.2170 73 R 4.4529 8.7261 123.5635 54.7933 31.4875 175.9971 *82 N 4.3384 8.4251 120.4819 52.9535 38.6535 171.9861 83 D 4.4695 8.4496 122.9831 54.6400 40.1969 176.4624 84 E 4.5436 8.9487 125.8924 54.1781 30.5313 173.3812 85 P 4.9728 0.0000 0.0000 62.1858 32.4461 175.8637 86 L 4.7148 9.3159 124.6097 53.1410 44.3580 175.8918 87 V 4.3591 8.2543 123.0042 61.9561 31.4288 175.6838 88 K 4.1648 9.2102 129.6357 58.9453 32.8397 177.3373 89 G 4.0920 7.6260 104.6560 46.2337 0.0000 171.8582 90 A 5.1152 8.4398 120.1537 50.5098 22.5421 175.9904 91 D 4.5463 9.3664 120.4185 52.6077 44.1883 174.0419 92 I 4.6451 8.0603 126.6307 58.5803 39.0997 174.8132 93 P 4.5705 0.0000 0.0000 63.7219 31.3106 176.2109 94 V 4.5163 7.1216 110.2382 59.4841 35.7530 174.3619 95 D 4.4214 8.6089 121.6555 54.6051 41.6806 176.0815 96 I 4.2882 8.1754 117.9584 60.7410 38.5390 175.4840 97 T 4.2101 7.8860 119.3827 65.2861 68.5415 173.8010 98 D 4.4691 9.0153 124.6837 55.0278 39.2950 173.2434 99 Q 4.7368 7.8902 118.2176 53.9448 32.7015 174.1903 100 K 4.8573 8.3965 121.6713 55.3574 33.9730 175.0786 101 V 4.8858 8.6157 127.3275 61.1260 34.5594 174.1701 102 I 4.9697 8.5908 128.3666 59.3646 39.6183 175.0693 103 L 4.6493 9.0167 128.5961 54.6263 43.1565 176.4218 104 V 4.9119 8.8250 122.7601 61.1894 34.2544 173.7751 105 D 5.3095 9.0412 127.2757 52.5698 44.4692 176.1057 106 D 4.4039 8.8611 124.2055 56.0047 40.8763 176.2169 107 V 4.8153 7.5343 118.1724 60.5056 34.5536 173.9444 108 L 4.2377 9.1883 131.3091 56.0112 43.1285 174.1377 109 Y 5.0624 9.0383 124.6522 58.4757 39.6430 176.7424 110 T 3.8783 8.7319 113.8953 62.7051 70.3541 177.3104 111 G 3.9951 8.2680 110.0108 45.5257 0.0000 175.2544 112 R 3.9135 7.9258 119.2687 59.2753 29.8331 179.0060 113 T 3.9512 7.7971 115.4528 66.3712 68.5590 176.8384 114 V 3.5671 7.7390 119.7586 65.9499 31.6071 177.7271 115 R 3.8606 8.2270 118.3141 59.5388 29.9131 178.2999 116 A 4.1179 7.9710 120.0966 55.0757 18.3661 179.8941 117 G 3.5447 8.3530 104.5478 48.1639 0.0000 175.8353 118 M 4.0986 8.4427 121.6977 58.3054 31.4580 178.6155 119 D 4.3609 8.2863 118.7273 57.2184 40.8676 178.6698 120 A 4.0279 8.0669 121.2637 55.1742 18.3077 179.6984 121 L 3.9315 7.9892 117.4387 57.9608 41.5698 179.6922 122 V 3.9868 7.5944 117.1007 64.3583 31.5129 176.9561 123 D 4.5738 7.4772 116.6178 56.8135 41.2052 178.1695 124 V 4.1315 7.4453 110.5542 62.2156 32.5024 175.5433 125 G 4.0111 7.3834 106.0134 45.5537 0.0000 172.5483 126 R 5.0054 8.0566 115.0126 53.3556 29.4674 173.9445 127 P 4.9176 0.0000 0.0000 62.9962 31.8345 178.3992 128 S 4.4351 8.8300 117.2289 61.5625 63.7099 174.2131 129 S 4.6772 7.5565 111.9541 57.5374 65.7609 174.5292 130 I 5.1282 8.3763 121.1922 59.9015 40.0508 175.0121 131 Q 4.8581 9.3012 125.8492 54.0737 32.5805 174.1775 132 L 5.2369 9.2727 121.2504 53.5340 45.3927 174.6742 133 A 5.5079 9.3906 128.3655 50.3726 21.8334 175.4404 134 V 5.4063 8.7771 114.6003 58.4485 35.8769 176.7068 135 L 4.1019 8.7057 125.7581 57.7783 43.3661 176.9997 136 V 5.0964 8.1848 110.6817 59.5031 36.5166 174.2577 137 D 5.3534 8.9557 123.7163 52.5793 43.3607 175.9206 138 R 5.0252 8.3996 121.9303 55.0104 30.2787 178.4177 139 G 3.7584 8.6082 109.1199 46.8289 0.0000 172.7783 140 H 4.0521 8.6561 111.1409 56.7968 25.9344 175.2902 141 R 4.4660 7.9768 117.4166 56.2696 30.6377 175.5230 142 E 4.6269 8.7463 122.2893 56.0658 30.4672 175.7938 143 L 4.7908 7.3053 117.6860 52.4003 46.3197 174.8198 144 P 4.6181 0.0000 0.0000 62.2531 30.0719 176.0193 145 I 4.5662 7.2819 119.0623 59.9750 40.1186 175.9821 146 R 4.6348 8.1815 119.4130 54.1465 32.4447 174.5924 147 A 4.3744 8.3767 122.6688 52.0829 19.5498 177.2739 148 D 4.4459 8.7893 121.3042 55.9411 41.9807 176.8231 149 Y 4.8209 7.7851 115.1867 56.1011 42.0519 174.7446 150 I 4.9189 8.4371 123.4274 59.7716 40.3449 175.4339 151 G 3.8222 9.1725 115.4392 48.9644 0.0000 174.1154 152 K 4.7661 8.2646 120.1053 54.7067 37.0890 174.8174 153 N 5.1364 8.7742 122.2855 52.5722 40.1444 174.7075 154 I 4.5401 8.9738 123.6002 58.2643 40.8414 172.4045 155 P 4.8635 0.0000 0.0000 63.1452 31.7534 175.8207 156 T 4.8130 8.3164 111.8065 60.0439 70.9495 173.1427 157 S 4.6772 8.8221 117.2654 56.8432 64.5614 175.5286 158 K 4.0250 8.3813 119.9318 58.7495 31.9760 178.7553 159 S 4.3918 7.3212 113.0362 60.1686 63.6285 174.7598 160 E 4.4652 7.7333 119.4461 56.2455 30.0415 176.6673 161 K 4.6522 9.0456 121.1575 54.5793 35.9812 175.2861 162 V 4.8885 8.2582 122.2089 61.3556 34.0843 174.2651 163 M 4.8298 9.2260 127.2837 53.7882 35.4007 173.8764 164 V 4.6099 8.5456 125.7999 61.7822 33.3133 174.6548 165 Q 5.0065 9.3257 126.8199 54.1684 31.5849 174.6132 166 L 5.2152 8.8886 122.4805 52.4475 45.3441 177.3759 167 D 4.2757 9.4225 122.7561 57.9112 40.5653 179.4824 168 E 3.7082 7.9191 117.3039 58.2961 29.3142 178.3280 169 V 4.2021 7.4333 115.7205 63.0229 33.6232 176.0097 170 D 4.8206 8.5216 115.7714 53.0098 41.4237 176.8862 171 Q 3.8502 8.0240 116.5157 56.1680 26.9559 172.3960 172 N 4.9708 7.3315 113.3315 53.7592 42.5683 173.5789 173 D 5.1244 8.3699 123.7048 53.1656 42.5137 175.3831 174 L 4.5721 8.4939 123.6720 54.1678 46.4868 173.3431 175 V 4.9365 8.8488 124.0532 61.1000 34.3038 174.2294 176 A 5.0417 9.0865 128.5410 50.1226 22.9869 174.1650 177 I 4.7979 8.4197 120.1063 59.4637 40.7545 174.1422 178 Y 5.0005 9.0639 125.4189 56.2369 41.7696 174.6633 179 E 4.6823 8.2683 122.6472 55.5264 31.2871 177.1282 180 N 4.4677 8.8289 118.0911 53.0452 37.5556 175.3555 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 Q 8.19 4.50 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 4 K 8.42 4.59 0.00 0.95 1.47 0.00 1.20 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.28 7.81 5 A 8.65 4.62 1.13 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 0.00 0.00 0.00 0.00 0.00 6 V 8.41 4.13 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 0.80 0.00 0.00 0.88 0.00 0.00 7 I 8.69 4.19 1.85 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 1.24 0.76 0.86 0.00 0.00 8 L 7.70 4.82 0.00 1.62 1.57 0.92 0.99 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 9 D 8.45 4.73 0.00 2.85 2.82 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 10 E 8.61 3.90 0.00 2.05 1.99 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 2.37 2.55 0.00 11 Q 8.14 3.92 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 12 A 8.56 3.98 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 13 I 7.90 3.64 2.03 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 0.80 0.92 0.00 0.00 14 R 8.17 3.88 0.00 1.87 2.21 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 R 8.32 3.96 0.00 2.02 1.97 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 16 A 8.22 3.99 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 17 L 8.22 3.94 0.00 1.69 1.73 0.93 1.04 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 18 T 8.06 3.88 4.39 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 1.28 0.00 0.00 19 R 8.23 3.95 0.00 2.15 2.05 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 20 I 8.10 3.72 1.98 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 1.55 0.72 0.77 0.00 0.00 21 A 8.19 3.86 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 22 H 8.26 4.06 0.00 3.36 3.37 0.00 5.63 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 23 E 8.66 4.08 0.00 2.33 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 0.00 2.43 2.60 0.00 24 M 8.21 3.97 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.50 0.00 25 I 7.90 3.70 2.00 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 1.49 1.19 0.98 0.00 0.00 26 E 8.20 4.09 0.00 2.12 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 2.67 2.50 0.00 27 R 8.16 4.21 0.00 2.08 2.13 0.00 3.19 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 28 N 7.79 4.95 0.00 2.82 2.78 0.00 0.00 7.07 7.77 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 29 K 7.78 3.81 0.00 1.94 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.51 7.81 *34 C 7.67 4.51 0.00 3.01 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 35 I 8.25 4.65 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 1.22 0.68 0.90 0.00 0.00 36 L 8.70 4.95 0.00 1.57 1.54 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.86 4.67 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 1.03 0.00 0.00 0.92 0.00 0.00 38 G 8.95 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.24 5.01 1.87 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 1.38 0.87 0.91 0.00 0.00 40 K 8.77 4.44 0.00 2.03 1.91 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.45 7.81 41 T 8.51 3.82 4.30 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 1.36 0.00 0.00 42 R 8.11 4.35 0.00 2.10 2.05 0.00 3.17 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 43 G 7.87 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 0.00 0.00 0.00 0.00 44 I 7.71 3.62 1.69 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 1.42 0.61 0.68 0.00 0.00 45 Y 7.50 4.21 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 46 L 8.50 4.04 0.00 1.86 1.74 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.28 3.99 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 48 K 8.10 3.94 0.00 2.06 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.63 7.81 49 R 8.20 3.93 0.00 2.03 1.99 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 50 L 8.29 3.95 0.00 1.78 1.66 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.19 3.95 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 52 E 8.16 3.91 0.00 2.17 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 0.00 2.30 2.49 0.00 53 R 8.14 3.92 0.00 1.98 1.92 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 54 I 8.04 3.69 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.87 0.00 0.00 55 E 8.16 4.22 0.00 2.16 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 2.45 2.34 0.00 56 Q 7.93 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 57 I 7.37 4.01 1.79 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 1.47 0.60 0.86 0.00 0.00 58 E 8.66 4.24 0.00 2.00 1.99 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 2.29 2.44 0.00 59 G 8.48 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 60 N 7.58 5.07 0.00 2.71 2.68 0.00 0.00 6.86 8.03 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 61 P 0.00 4.35 0.00 2.17 2.05 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 62 V 8.08 4.35 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 0.80 0.00 0.00 0.96 0.00 0.00 63 T 8.36 4.25 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 1.20 0.00 0.00 64 V 8.42 4.78 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 0.77 0.00 0.00 0.91 0.00 0.00 65 G 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0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 *82 N 8.43 4.34 0.00 2.70 2.81 0.00 0.00 7.19 8.47 0.00 0.00 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 D 8.45 4.47 0.00 2.67 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 84 E 8.95 4.54 0.00 1.96 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 2.25 2.48 0.00 85 P 0.00 4.97 0.00 1.95 1.98 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 86 L 9.32 4.71 0.00 1.69 1.62 0.92 0.68 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 87 V 8.25 4.36 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 0.82 0.00 0.00 0.94 0.00 0.00 88 K 9.21 4.16 0.00 1.79 1.86 0.00 1.85 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.43 7.81 89 G 7.63 4.09 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 0.00 0.00 0.00 90 A 8.44 5.12 1.17 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 91 D 9.37 4.55 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 4.65 1.86 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 1.46 0.82 0.90 0.00 0.00 93 P 0.00 4.57 0.00 2.17 2.15 0.00 3.71 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 1.98 1.97 0.00 94 V 7.12 4.52 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 0.67 0.00 0.00 0.93 0.00 0.00 95 D 8.61 4.42 0.00 2.63 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 96 I 8.18 4.29 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 0.68 0.91 0.00 0.00 97 T 7.89 4.21 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 1.21 0.00 0.00 98 D 9.02 4.47 0.00 2.80 2.78 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 99 Q 7.89 4.74 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 100 K 8.40 4.86 0.00 1.85 1.68 0.00 1.67 0.00 0.00 2.00 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 101 V 8.62 4.89 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 0.92 0.00 0.00 0.93 0.00 0.00 102 I 8.59 4.97 1.86 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 1.31 0.70 0.97 0.00 0.00 103 L 9.02 4.65 0.00 1.61 1.60 0.94 0.59 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 0.00 104 V 8.82 4.91 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 0.98 0.00 0.00 0.97 0.00 0.00 105 D 9.04 5.31 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.40 0.00 2.80 2.94 0.00 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0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 115 R 8.23 3.86 0.00 1.91 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 116 A 7.97 4.12 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 0.00 117 G 8.35 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 0.00 118 M 8.44 4.10 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 119 D 8.29 4.36 0.00 2.92 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 0.00 120 A 8.07 4.03 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 0.00 121 L 7.99 3.93 0.00 1.89 1.73 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.59 3.99 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 0.97 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9.30 4.86 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 132 L 9.27 5.24 0.00 1.73 1.49 1.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.39 5.51 1.24 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 0.00 0.00 0.00 134 V 8.78 5.41 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 0.62 0.00 0.00 1.00 0.00 0.00 135 L 8.71 4.10 0.00 1.80 1.89 0.94 0.91 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 0.00 136 V 8.18 5.10 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 0.63 0.00 0.00 0.98 0.00 0.00 137 D 8.96 5.35 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 5.03 0.00 1.79 1.95 0.00 2.86 0.00 0.00 2.25 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 139 G 8.61 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 0.00 140 H 8.66 4.05 0.00 3.72 3.60 0.00 5.71 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.98 4.47 0.00 1.76 1.83 0.00 3.08 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 142 E 8.75 4.63 0.00 1.87 1.88 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 2.18 2.13 0.00 143 L 7.31 4.79 0.00 1.55 1.49 0.96 1.05 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 0.00 144 P 0.00 4.62 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 145 I 7.28 4.57 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 1.47 0.66 0.92 0.00 0.00 146 R 8.18 4.63 0.00 1.83 1.83 0.00 2.99 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 1.46 1.57 0.00 147 A 8.38 4.37 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 0.00 148 D 8.79 4.45 0.00 2.32 2.14 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 0.00 149 Y 7.79 4.82 0.00 2.89 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 0.00 150 I 8.44 4.92 1.90 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 1.31 0.62 0.97 0.00 0.00 151 G 9.17 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 0.00 0.00 0.00 152 K 8.26 4.77 0.00 1.67 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.57 7.81 153 N 8.77 5.14 0.00 2.59 2.74 0.00 0.00 6.73 7.45 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 0.00 154 I 8.97 4.54 1.86 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 1.27 1.47 0.96 0.00 0.00 155 P 0.00 4.86 0.00 2.12 2.04 0.00 3.76 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 1.98 1.97 0.00 156 T 8.32 4.81 4.26 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 1.21 0.00 0.00 157 S 8.82 4.68 0.00 4.02 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 0.00 158 K 8.38 4.02 0.00 1.74 1.91 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.39 7.81 159 S 7.32 4.39 0.00 4.14 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 0.00 160 E 7.73 4.47 0.00 1.84 1.91 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 2.53 2.29 0.00 161 K 9.05 4.65 0.00 1.70 1.65 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 162 V 8.26 4.89 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 0.78 0.00 0.00 0.87 0.00 0.00 163 M 9.23 4.83 0.00 2.42 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 164 V 8.55 4.61 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 0.88 0.00 0.00 0.96 0.00 0.00 165 Q 9.33 5.01 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 166 L 8.89 5.22 0.00 1.51 1.69 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 167 D 9.42 4.28 0.00 2.58 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 0.00 168 E 7.92 3.71 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 1.90 2.16 0.00 169 V 7.43 4.20 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 0.95 0.00 0.00 0.90 0.00 0.00 170 D 8.52 4.82 0.00 2.63 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 0.00 171 Q 8.02 3.85 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 172 N 7.33 4.97 0.00 2.74 2.62 0.00 0.00 7.03 8.35 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 0.00 173 D 8.37 5.12 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.49 4.57 0.00 1.72 1.44 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.85 4.94 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 0.99 0.00 0.00 0.94 0.00 0.00 176 A 9.09 5.04 0.98 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 0.00 177 I 8.42 4.80 1.81 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 1.19 1.86 0.86 0.00 0.00 178 Y 9.06 5.00 0.00 2.90 2.80 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 0.00 179 E 8.27 4.68 0.00 1.93 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 2.31 2.41 0.00 180 N 8.83 4.47 0.00 2.74 2.62 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.