NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.2334 0.0000 0.0000 61.8487 32.9344 176.8530 *2 V 3.8147 8.0169 116.3132 60.4125 33.5011 170.9439 *3 V 3.9936 8.2158 119.5967 61.2579 34.3793 175.6886 *4 I 4.0436 8.0192 120.4925 60.2325 37.2938 176.2101 *5 K 4.1936 8.3092 124.6196 55.3044 33.5184 176.3964 *6 T 4.2236 8.1692 113.9337 61.2545 70.3649 174.2087 *7 E 4.2513 8.3859 117.9811 55.6523 31.7276 175.8616 *8 G 3.7995 8.3492 110.6917 45.5330 0.0000 172.8159 *9 P 4.1791 0.0000 0.0000 61.7911 32.7618 176.1400 *10 A 4.1825 8.2592 123.9921 52.4198 20.0656 177.4994 *11 W 4.4683 8.2692 120.8680 56.9540 30.3399 175.9985 *12 T 4.2236 8.1692 113.4658 60.7510 69.8843 172.6159 *13 P 4.2936 0.0000 0.0000 62.4406 32.7681 176.9508 *14 L 4.2136 8.1792 121.1765 54.7188 42.8039 177.1087 *15 E 4.2236 8.4392 117.5323 55.8584 31.6411 174.5159 *16 P 4.2936 0.0000 0.0000 62.4016 32.8071 177.1101 *17 K 4.1936 8.3092 122.5504 54.9638 33.6004 176.2508 *18 L 4.2136 8.1792 121.7820 54.7394 42.8118 177.3239 *19 I 4.0436 8.0192 119.3284 60.6121 37.3901 176.1964 *20 T 4.2236 8.1692 115.3974 61.2772 70.2750 174.5765 *21 R 4.2136 8.2492 122.6063 56.6009 31.4076 175.9508 *22 L 4.1908 8.0776 118.1313 54.0045 42.8896 176.4736 *23 A 4.1825 8.2592 124.3609 52.7157 20.0919 177.1930 *24 D 4.4483 8.3592 119.0930 53.9424 41.8647 176.1985 *25 T 4.2236 8.1692 114.1853 61.2869 70.4469 174.7720 *26 V 3.9936 8.0492 121.4418 61.2599 33.6311 176.1765 *27 R 4.2136 8.2492 121.0158 56.9414 31.2248 176.0964 *28 T 4.2236 8.1692 112.9677 61.1508 70.4426 174.5101 *29 K 4.2213 8.2559 123.3680 54.3189 33.7132 175.8616 *30 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *31 L 4.1219 8.1792 122.5674 54.7415 42.9104 177.4429 *32 R 4.2136 8.2492 119.8517 56.7434 31.3211 176.1435 *33 S 4.3436 8.3292 117.1486 58.0486 64.2683 172.5159 *34 P 4.2936 0.0000 0.0000 62.5260 32.4859 177.0239 *35 I 4.0436 8.0192 118.9596 60.6121 37.3637 176.1964 *36 T 4.2236 8.1692 115.3974 61.4833 70.2750 174.2705 *37 M 4.3308 8.1976 119.6420 54.2583 33.3772 175.1736 *38 A 4.1825 8.2592 124.4645 52.6545 20.3285 177.3087 *39 E 4.1583 8.4392 116.2918 56.3944 31.7768 176.7742 *40 V 3.9936 8.0492 118.8637 61.2372 33.6700 175.8087 *41 E 4.2008 8.3376 116.0117 55.6478 31.5448 175.4736 *42 A 4.1825 8.2592 124.5374 52.5898 20.2174 177.4508 *43 L 4.1483 8.1792 120.3049 54.9475 42.9660 177.2726 *44 M 4.3536 8.2992 119.5721 55.0504 33.2907 176.1435 *45 S 4.3436 8.3292 117.9817 58.6301 64.4455 174.4435 *46 S 4.3436 8.3292 119.5459 58.0486 64.0132 172.5159 *47 P 4.2936 0.0000 0.0000 62.4406 32.4859 176.9508 *48 L 4.2136 8.1792 121.1765 54.6540 42.8039 177.2508 *49 L 4.2136 8.1792 121.5453 54.2152 42.8302 175.5159 *50 P 4.2936 0.0000 0.0000 62.7963 32.6816 176.6800 *51 H 4.6036 8.4392 117.7840 55.0473 29.8644 173.4930 *52 D 4.5136 8.3592 121.1071 53.6989 41.6223 176.3721 *53 V 3.9936 8.0492 119.1754 61.5131 33.6081 176.0964 *54 T 4.2236 8.1692 114.8611 61.2876 70.2871 174.1094 *55 N 4.6136 8.4192 121.3231 52.6842 39.6100 174.8508 *56 L 4.2136 8.1792 121.1194 54.9475 42.9845 177.1705 *57 M 4.3536 8.2992 119.5721 54.9952 33.2907 176.1765 *58 R 4.2136 8.2492 119.9554 56.6979 31.5576 176.3721 *59 V 3.9936 8.0492 117.9578 61.2579 33.6039 176.0239 *60 I 4.0436 8.0192 120.4925 60.2715 37.2938 176.0508 *61 L 4.2413 8.1259 120.9399 54.0091 42.7219 176.8616 *62 G 3.7995 8.3492 110.5152 45.5330 0.0000 172.8159 *63 P 4.1791 0.0000 0.0000 61.7911 32.7618 176.1400 *64 A 4.1825 8.2592 123.9921 52.1509 20.0656 175.7159 *65 P 4.2283 0.0000 0.0000 62.6904 32.8174 176.6711 *66 Y 4.4008 8.0376 116.8779 56.5297 38.7626 174.7736 *67 A 4.1825 8.2592 125.5214 52.5898 20.2608 177.4508 *68 L 4.1483 8.1792 120.3049 54.4841 42.9660 177.4015 *69 W 4.5336 8.2692 122.1085 56.9069 30.2042 175.6705 *70 M 4.3536 8.2992 119.3409 55.0337 32.7916 175.6930 *71 D 4.4908 8.2576 117.7524 52.9523 41.9655 175.1736 *72 A 4.1825 8.2592 124.8491 52.4198 20.1555 177.4994 *73 W 4.4960 8.2159 118.5621 55.9685 30.3399 175.4637 *74 G 3.7995 8.3492 110.2840 46.0690 0.0000 174.9720 *75 V 3.9019 8.0492 119.7093 61.3000 33.6247 175.9450 *76 Q 4.2136 8.3392 121.0617 55.3936 29.9370 175.6508 *77 L 4.2136 8.1792 120.8462 54.7816 42.9307 177.2786 *78 Q 4.2136 8.3392 119.8976 55.7341 30.0332 175.7964 *79 T 4.2236 8.1692 112.9979 61.2869 70.4838 174.7720 *80 V 3.9936 8.0492 121.4418 61.2579 33.6311 176.0239 *81 I 4.0208 7.9176 117.8078 59.6220 37.2938 175.2736 *82 A 4.1597 8.1576 123.3766 51.9403 19.9836 176.6736 *83 A 4.0943 8.1576 120.4357 51.9403 20.2277 176.7757 *84 A 4.1172 8.2592 123.1204 52.9303 20.2277 177.6985 *85 T 4.1583 8.1692 112.4566 61.2772 70.5191 174.6786 *86 R 4.2136 8.2492 122.6063 56.7268 31.4076 175.6930 *87 D 4.5136 8.3592 119.6040 53.1630 41.7883 174.2159 *88 P 4.2936 0.0000 0.0000 62.5280 32.7452 177.1765 *89 R 4.2136 8.2492 119.4829 56.9566 31.2947 175.6800 *90 H 4.6036 8.4392 117.4235 54.4826 29.9501 172.0159 *91 P 4.2708 0.0000 0.0000 61.7911 32.5750 176.1736 *92 A 4.1825 8.2592 123.9921 52.6876 20.0656 177.2094 *93 N 4.5760 8.3659 115.0222 52.0393 39.6593 174.5637 *94 G 3.7995 8.3492 110.0892 46.0994 0.0000 174.5786 *95 Q 4.1496 8.2859 118.6138 54.7487 30.1134 175.2281 *96 G 3.7995 8.3492 109.8161 46.0593 0.0000 174.7765 *97 R 4.1496 8.1959 118.5680 55.9559 31.4012 175.5281 *98 G 3.7995 8.3492 109.7858 46.0366 0.0000 174.4087 *99 E 4.1319 8.4392 118.5544 56.3847 31.7212 176.4429 *100 R 4.2136 8.2492 120.0283 56.9414 31.4465 176.0964 *101 T 4.2236 8.1692 112.9677 61.2876 70.4426 174.1094 *102 N 4.6136 8.4192 121.3231 52.6842 39.6100 174.8508 *103 L 4.2136 8.1792 121.1194 54.7518 42.9845 177.0094 *104 N 4.6136 8.4192 118.5685 52.7716 39.5235 175.0765 *105 R 4.2136 8.2492 119.4258 56.6009 31.4753 175.9508 *106 L 4.2136 8.1792 120.8159 54.6150 42.8896 177.4101 *107 K 4.2213 8.2559 120.6134 54.3189 33.6267 175.8616 *108 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *109 L 4.0991 8.0776 119.8827 54.0045 42.9104 176.4400 *110 A 4.1825 8.2592 124.3609 52.7157 20.0919 177.1930 *111 D 4.4760 8.3059 116.7871 52.9569 41.8647 175.6637 *112 G 3.7995 8.3492 111.0034 46.2653 0.0000 174.4705 *113 M 4.2619 8.2992 120.5942 55.0049 33.3709 176.3385 *114 V 4.0213 7.9959 116.4850 60.5276 33.7811 175.5616 *115 G 3.7995 8.3492 111.6793 46.0697 0.0000 174.3094 *116 N 4.5219 8.4192 119.5906 52.2453 39.6037 173.0824 *117 P 4.2936 0.0000 0.0000 62.5681 32.8358 176.9786 *118 Q 4.2413 8.2859 117.2229 54.7487 30.0069 175.2616 *119 G 3.7995 8.3492 109.8161 46.0994 0.0000 174.5786 *120 Q 4.0991 8.2376 118.2350 54.7441 30.1134 174.8400 *121 A 4.1597 8.1576 120.9771 51.9403 20.1924 176.6736 *122 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *123 L 4.1483 8.1792 120.3049 54.6540 42.9660 177.3529 *124 L 4.2136 8.1792 121.5453 54.7415 42.8302 177.4765 *125 R 4.2136 8.2492 119.8517 56.1620 31.3211 174.2159 *126 P 4.3213 0.0000 0.0000 61.7956 32.7409 176.5616 *127 G 3.7995 8.3492 110.1464 46.0366 0.0000 174.4087 *128 E 4.1319 8.4392 118.5544 56.2973 31.7212 176.2173 *129 L 4.2136 8.1792 121.7219 54.7511 42.9557 177.6721 *130 V 3.9708 7.9476 116.0025 60.5230 33.5446 175.1736 *131 A 4.1825 8.2592 125.5250 52.6752 19.9957 177.5239 *132 I 3.9783 8.0192 118.0879 60.6121 37.5258 176.2985 *133 T 4.2008 8.0676 112.7127 60.5403 70.2750 173.5736 *134 A 4.1825 8.2592 127.1155 52.7324 20.1785 177.6435 *135 S 4.2554 8.2276 113.9529 57.8380 64.3447 173.5757 *136 A 4.1825 8.2592 126.0288 52.5898 19.8962 177.4508 *137 L 4.1483 8.1792 120.3049 54.7816 42.9660 177.3807 *138 Q 4.1908 8.2376 117.2129 54.7441 30.0332 174.8736 *139 A 4.1825 8.2592 123.6618 52.6465 20.1924 177.4724 *140 F 4.4283 8.3192 118.5460 57.1477 40.0563 175.7786 *141 R 4.2136 8.2492 121.8094 56.6656 31.1814 175.8087 *142 E 4.2236 8.4392 116.8029 56.3944 31.7004 176.6721 *143 V 3.9708 7.9476 116.1790 60.5230 33.6700 175.1736 *144 A 4.1825 8.2592 125.5250 52.6772 19.9957 177.6765 *145 R 4.1483 8.2492 118.6113 56.6009 31.4568 176.0529 *146 L 4.1908 8.0776 118.1313 54.0045 42.8896 176.4736 *147 A 4.2102 8.2059 122.0551 51.9449 20.0919 177.0616 *151 G 3.7341 8.3492 109.2747 45.5330 0.0000 172.9180 *152 P 4.2019 0.0000 0.0000 62.2706 32.7618 176.9659 *153 W 4.5108 8.1676 119.0549 55.9639 30.1778 174.9736 *154 A 4.1825 8.2592 124.1297 52.7157 19.5929 177.1930 *155 D 4.4483 8.3592 119.0930 53.6872 41.8647 176.1260 *156 I 4.0436 8.0192 119.8166 60.5650 37.4536 175.9705 *157 M 4.3536 8.2992 121.2725 55.0353 33.1824 175.9786 *158 Q 4.2413 8.2859 117.6954 54.7487 30.2698 175.2616 *159 G 3.7995 8.3492 109.8161 45.5330 0.0000 172.8159 *160 P 4.2019 0.0000 0.0000 62.5832 32.7618 177.1099 *161 S 4.3436 8.3292 117.5092 58.5522 64.1826 174.1087 *162 E 4.2236 8.4392 119.2002 56.4398 31.4453 176.4435 *163 S 4.3436 8.3292 118.0546 58.5442 64.3344 174.2724 *164 F 4.4936 8.3192 121.4544 57.1574 39.7248 175.8721 *165 V 3.9936 8.0492 120.6449 61.2984 33.4049 175.6930 *166 D 4.5136 8.3592 121.4975 53.6585 41.6327 175.9724 *167 F 4.4708 8.2176 117.5901 56.4108 39.9841 174.6736 *168 A 4.1825 8.2592 126.3186 52.6876 19.9523 177.2094 *169 N 4.5483 8.4192 117.3280 52.7716 39.6593 175.1786 *170 R 4.2136 8.2492 119.4258 56.6009 31.4753 175.9508 *171 L 4.2136 8.1792 120.8159 54.7394 42.8896 177.3239 *172 I 4.0436 8.0192 119.3284 60.2325 37.3901 176.2101 *173 K 4.1708 8.2076 121.9349 54.3143 33.5184 175.4736 *174 A 4.1825 8.2592 124.5975 52.6869 20.0735 177.8721 *175 V 3.9283 8.0492 117.4467 61.2372 33.6804 175.9108 *176 E 4.2513 8.3859 116.3905 55.6523 31.5448 175.8616 *177 G 3.7995 8.3492 110.6917 46.1145 0.0000 174.7435 *178 S 4.2519 8.3292 118.9001 58.6134 64.2891 173.9595 *179 D 4.5136 8.3592 122.0013 53.6018 41.5332 175.9508 *180 L 4.2136 8.1792 122.0336 54.2152 42.8938 175.5159 *181 P 4.2936 0.0000 0.0000 62.0017 32.6816 175.2159 *182 P 4.2936 0.0000 0.0000 62.5832 32.6553 177.1435 *183 S 4.3208 8.2276 114.8245 57.8380 64.1826 173.4736 *184 A 4.1825 8.2592 126.0288 52.6772 19.8962 177.6765 *185 R 4.1254 8.1476 115.9266 55.9513 31.4568 175.2757 *186 A 4.1825 8.2592 123.6315 52.1509 20.1513 175.7159 *187 P 4.2283 0.0000 0.0000 62.5377 32.8174 177.4742 *188 V 3.9936 8.0492 118.3184 61.2579 33.5182 176.0239 *189 I 4.0436 8.0192 120.4925 60.3569 37.2938 176.1239 *190 I 4.0436 8.0192 121.0288 60.3974 37.2817 175.7930 *191 D 4.5136 8.3592 122.0338 53.8320 41.6206 175.7530 *192 C 4.4236 8.3392 118.8907 58.2289 29.8877 174.2724 *193 F 4.4936 8.3192 120.7968 57.1477 39.5678 175.6765 *194 R 4.2136 8.2492 121.8094 56.7284 31.1814 175.9786 *195 Q 4.2136 8.3392 119.1682 55.3546 30.0926 175.8101 *196 K 4.1936 8.3092 122.2201 55.1064 33.7272 176.4435 *197 S 4.3436 8.3292 118.1147 58.6150 64.1905 174.2786 *198 Q 4.2136 8.3392 121.5655 54.9547 29.8375 173.9159 *199 P 4.2936 0.0000 0.0000 62.5665 32.7821 176.6930 *200 D 4.5136 8.3592 119.9646 53.6872 41.7026 176.0239 *201 I 4.0436 8.0192 119.8166 60.3991 37.4536 176.0786 *202 Q 4.2136 8.3392 121.5980 55.5211 29.9249 175.6786 *203 Q 4.2136 8.3392 119.1985 55.3936 30.1337 175.6508 *204 L 4.2136 8.1792 120.8462 54.7394 42.9307 177.3239 *205 I 4.0436 8.0192 119.3284 60.3590 37.3901 176.2765 *206 R 4.2136 8.2492 121.5521 56.9414 31.2127 176.0964 *207 T 4.2008 8.0676 110.2830 60.5403 70.4426 173.5736 *208 A 4.1825 8.2592 127.1155 52.1509 20.1785 175.7159 *209 P 4.2283 0.0000 0.0000 62.5832 32.8174 177.2456 *210 S 4.3436 8.3292 117.5092 58.8280 64.1826 174.3964 *211 T 4.2236 8.1692 115.3649 61.1898 70.1876 174.3508 *212 L 4.2136 8.1792 124.2999 54.9946 42.9168 177.3964 *213 T 4.2236 8.1692 113.6971 61.5303 70.3833 174.4964 *214 T 4.2236 8.1692 116.4517 60.7510 70.4698 172.6159 *215 P 4.3213 0.0000 0.0000 61.7956 32.7681 176.5616 *216 G 3.7995 8.3492 110.1464 46.0366 0.0000 174.4087 *217 E 4.1319 8.4392 118.5544 56.3827 31.7212 176.2904 *218 I 4.0436 8.0192 119.5050 60.3569 37.5155 176.1239 *219 I 4.0436 8.0192 121.0288 60.2325 37.2817 176.2101 *220 K 4.1936 8.3092 124.6196 55.2136 33.5184 175.8690 *221 Y 4.4236 8.1392 120.1681 57.2763 38.7705 175.9720 *222 V 3.9936 8.0492 119.8476 61.1725 33.7134 175.9508 *223 L 4.2136 8.1792 122.7094 54.7799 42.7340 176.9930 *224 D 4.5136 8.3592 120.3334 53.6893 41.7289 176.1765 *225 R 4.2136 8.2492 120.3400 56.7284 31.3846 175.9786 *226 Q 4.2136 8.3392 119.1682 55.3220 28.8112 174.8053 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 P 0.00 4.23 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *2 V 8.02 3.81 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 *3 V 8.22 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 0.82 0.00 0.00 0.93 0.00 0.00 *4 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *5 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *6 T 8.17 4.22 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 *7 E 8.39 4.25 0.00 1.73 1.79 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 2.13 2.38 0.00 *8 G 8.35 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 *9 P 0.00 4.18 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *10 A 8.26 4.18 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 *11 W 8.27 4.47 0.00 2.28 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 0.00 0.00 0.00 *12 T 8.17 4.22 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 *13 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *14 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *15 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *16 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *17 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *18 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 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 *19 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *20 T 8.17 4.22 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 *21 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *22 L 8.08 4.19 0.00 1.40 1.51 0.92 0.80 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 *23 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 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*114 V 8.00 4.02 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 0.84 0.00 0.00 0.93 0.00 0.00 *115 G 8.35 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 *116 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.75 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 *117 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *118 Q 8.29 4.24 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 *119 G 8.35 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 *120 Q 8.24 4.10 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 *121 A 8.16 4.16 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 *122 A 8.26 4.12 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 *123 L 8.18 4.15 0.00 1.42 1.50 0.92 0.89 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 *124 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *125 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *126 P 0.00 4.32 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *127 G 8.35 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 *128 E 8.44 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 *129 L 8.18 4.21 0.00 1.40 1.51 0.92 0.85 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 *130 V 7.95 3.97 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 0.84 0.00 0.00 0.93 0.00 0.00 *131 A 8.26 4.18 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 *132 I 8.02 3.98 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 1.27 0.60 0.91 0.00 0.00 *133 T 8.07 4.20 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 *134 A 8.26 4.18 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 *135 S 8.23 4.26 0.00 3.61 3.69 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 *136 A 8.26 4.18 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 *137 L 8.18 4.15 0.00 1.42 1.50 0.92 0.78 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 *138 Q 8.24 4.19 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 *139 A 8.26 4.18 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 *140 F 8.32 4.43 0.00 2.06 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 0.00 0.00 0.00 *141 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *142 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *143 V 7.95 3.97 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 0.84 0.00 0.00 0.93 0.00 0.00 *144 A 8.26 4.18 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 *145 R 8.25 4.15 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *146 L 8.08 4.19 0.00 1.40 1.51 0.92 0.80 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 *147 A 8.21 4.21 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 *151 G 8.35 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 P 0.00 4.20 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 *153 W 8.17 4.51 0.00 2.26 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 0.00 0.00 0.00 *154 A 8.26 4.18 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 *155 D 8.36 4.45 0.00 2.46 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 *156 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *157 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *158 Q 8.29 4.24 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 *159 G 8.35 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 *160 P 0.00 4.20 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 *161 S 8.33 4.34 0.00 3.59 3.71 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 *162 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *163 S 8.33 4.34 0.00 3.59 3.71 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 *164 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 *165 V 8.05 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 0.82 0.00 0.00 0.93 0.00 0.00 *166 D 8.36 4.51 0.00 2.44 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 *167 F 8.22 4.47 0.00 2.04 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 0.00 0.00 0.00 *168 A 8.26 4.18 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 *169 N 8.42 4.55 0.00 2.50 2.64 0.00 0.00 6.76 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 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *171 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 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 *172 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *173 K 8.21 4.17 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *174 A 8.26 4.18 1.24 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 1.84 2.08 0.00 *183 S 8.23 4.32 0.00 3.59 3.71 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 *184 A 8.26 4.18 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 *185 R 8.15 4.13 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *186 A 8.26 4.18 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 *187 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 *188 V 8.05 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 0.82 0.00 0.00 0.93 0.00 0.00 *189 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *190 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *191 D 8.36 4.51 0.00 2.44 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 *192 C 8.34 4.42 0.00 2.69 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 *193 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 *194 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *195 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *196 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *197 S 8.33 4.34 0.00 3.59 3.71 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 *198 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *199 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *200 D 8.36 4.51 0.00 2.44 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 *201 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *202 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *203 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *204 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 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 *205 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *206 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *207 T 8.07 4.20 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 *208 A 8.26 4.18 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 *209 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 *210 S 8.33 4.34 0.00 3.59 3.71 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 *211 T 8.17 4.22 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 *212 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 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 *213 T 8.17 4.22 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 *214 T 8.17 4.22 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 *215 P 0.00 4.32 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *216 G 8.35 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 *217 E 8.44 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 *218 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *219 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *220 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *221 Y 8.14 4.42 0.00 2.07 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 *222 V 8.05 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 0.82 0.00 0.00 0.93 0.00 0.00 *223 L 8.18 4.21 0.00 1.40 1.51 0.92 0.98 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 *224 D 8.36 4.51 0.00 2.44 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 *225 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *226 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.