NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.2334 0.0000 0.0000 61.8370 32.9344 176.8530 *2 I 3.8647 7.9869 116.9544 59.4792 37.3466 172.6936 *3 E 4.2236 8.6058 118.9781 56.3827 32.4637 175.9886 *4 I 4.0436 8.0192 119.5050 59.8327 37.5155 174.3159 *5 P 4.2708 0.0000 0.0000 61.7911 32.5733 176.1736 *6 A 4.2102 8.2059 121.6862 51.9449 20.0656 177.0616 *7 G 3.7341 8.3492 109.2747 46.0690 0.0000 175.0741 *8 V 3.9019 8.0492 119.7093 61.5131 33.6247 176.0628 *9 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *10 V 3.9936 8.0492 121.4418 61.5131 33.6311 176.0964 *11 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *12 V 3.9936 8.0492 121.4418 61.2703 33.6311 175.7094 *13 N 4.6413 8.3659 117.4267 52.0393 39.4273 174.4616 *14 G 3.7995 8.3492 110.0892 46.0697 0.0000 174.3094 *15 N 4.5219 8.4192 119.5906 53.0247 39.6037 174.9628 *16 T 4.2236 8.1692 113.2711 61.2869 70.5375 174.7720 *17 V 3.9936 8.0492 121.4418 61.5131 33.6311 176.0964 *18 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *19 V 3.9936 8.0492 121.4418 61.1335 33.6311 176.1101 *20 K 4.2213 8.2559 121.7775 54.3189 33.5305 175.8616 *21 G 3.7995 8.3492 110.7519 45.5330 0.0000 172.8159 *22 P 4.2019 0.0000 0.0000 62.4016 32.7618 177.0766 *23 K 4.2213 8.2559 120.2446 54.3189 33.6004 175.8616 *24 G 3.7995 8.3492 110.7519 46.0366 0.0000 174.4087 *25 E 4.1319 8.4392 118.5544 56.2973 31.7212 176.2173 *26 L 4.2136 8.1792 121.7219 54.9946 42.9557 177.3964 *27 T 4.2236 8.1692 113.6971 61.2772 70.3833 174.5765 *28 R 4.2136 8.2492 122.6063 56.9414 31.4076 176.0964 *29 T 4.2236 8.1692 112.9677 61.2465 70.4426 174.3724 *30 F 4.4936 8.3192 122.5411 57.4160 40.0071 175.1800 *31 H 4.6036 8.4392 120.1105 54.4826 29.7511 172.0159 *32 P 4.2936 0.0000 0.0000 62.5665 32.5750 176.6930 *33 D 4.5136 8.3592 119.9646 53.8953 41.7026 175.8705 *34 M 4.3536 8.2992 120.0603 55.2483 33.3543 176.0964 *35 T 4.2236 8.1692 113.8007 61.2752 70.6198 174.4239 *36 I 4.0436 8.0192 122.0830 60.6121 37.4766 176.1964 *37 T 4.2236 8.1692 115.3974 61.2869 70.2750 174.7720 *38 V 3.9936 8.0492 121.4418 61.2372 33.6311 175.8087 *39 E 4.2513 8.3859 116.3905 55.6523 31.5448 175.8616 *40 G 3.7995 8.3492 110.6917 46.0697 0.0000 174.3094 *41 N 4.5219 8.4192 119.5906 52.7813 39.6037 175.2385 *42 V 3.9936 8.0492 118.2612 61.2579 33.6988 176.0239 *43 I 4.0436 8.0192 120.4925 60.6121 37.2938 176.1964 *44 T 4.2236 8.1692 115.3974 61.2869 70.2750 174.7720 *45 V 3.9936 8.0492 121.4418 61.5131 33.6311 176.0964 *46 T 4.2236 8.1692 114.8611 61.2772 70.2871 174.5765 *47 R 4.2136 8.2492 122.6063 56.1620 31.4076 174.2159 *48 P 4.2936 0.0000 0.0000 62.5832 32.7409 177.1435 *49 S 4.3436 8.3292 117.5092 58.6134 64.1826 173.9930 *50 D 4.5136 8.3592 122.0013 53.6665 41.5332 175.8087 *51 E 4.2236 8.4392 118.0205 56.2583 31.7046 176.4101 *52 K 4.1936 8.3092 123.0958 55.3195 33.7522 175.9800 *53 H 4.6036 8.4392 118.3895 55.2772 29.8723 173.4800 *54 H 4.6036 8.4392 118.9266 55.0089 29.7841 173.9765 *55 R 4.1908 8.1476 117.9408 55.9513 31.2144 175.1736 *56 A 4.1825 8.2592 123.6315 52.5898 20.1513 177.4508 *57 L 4.1483 8.1792 120.3049 55.0098 42.9660 177.0821 *58 H 4.6313 8.3859 115.8470 54.2765 29.8907 173.3616 *59 G 3.7995 8.3492 111.2889 46.3124 0.0000 174.6964 *60 T 4.1319 8.1692 114.7191 61.5303 70.4635 174.4628 *61 T 4.2236 8.1692 116.4517 61.2772 70.4698 174.5765 *62 R 4.2136 8.2492 122.6063 56.7434 31.4076 176.1435 *63 S 4.3436 8.3292 117.1486 58.4875 64.2683 174.2508 *64 L 4.2136 8.1792 123.2132 54.6540 42.6345 177.2508 *65 L 4.1908 8.0776 118.8606 54.0045 42.8302 176.4736 *66 A 4.1825 8.2592 124.3609 52.6876 20.0919 177.2094 *67 N 4.5483 8.4192 117.3280 52.9777 39.6593 174.8726 *68 M 4.3536 8.2992 119.1461 55.0049 33.4449 176.3721 *69 V 3.9936 8.0492 118.7908 61.2372 33.7811 175.8087 *70 E 4.2513 8.3859 116.3905 55.6523 31.5448 175.8616 *71 G 3.7995 8.3492 110.6917 46.0690 0.0000 174.9720 *72 V 3.9019 8.0492 119.7093 61.3151 33.6247 176.1099 *73 S 4.3436 8.3292 119.0421 58.4485 64.1127 174.4101 *74 K 4.2213 8.2559 122.2813 54.3189 33.4310 175.8616 *75 G 3.7995 8.3492 110.7519 46.2217 0.0000 174.1690 *76 Y 4.3319 8.1392 120.9535 57.2439 38.8691 175.3751 *77 E 4.2236 8.4392 118.6928 56.2583 31.8099 176.4101 *78 K 4.1708 8.2076 120.4111 54.3143 33.7522 175.4736 *79 A 4.1825 8.2592 124.5975 52.5898 20.0735 177.4508 *80 L 4.1483 8.1792 120.3049 54.7188 42.9660 177.2108 *81 E 4.2236 8.4392 117.5323 56.2973 31.6411 176.2508 *82 L 4.2136 8.1792 121.7219 54.7511 42.9557 177.6721 *83 V 4.0213 7.9959 116.3814 60.5276 33.5446 175.5616 *84 G 3.7995 8.3492 111.6793 46.0690 0.0000 174.9720 *85 V 3.9296 7.9959 117.4034 60.5276 33.6247 175.5281 *86 G 3.7995 8.3492 111.6793 46.2217 0.0000 174.1690 *87 Y 4.3319 8.1392 120.9535 57.2666 38.8691 175.7429 *88 R 4.1908 8.1476 118.3275 55.9513 31.4899 175.1736 *89 A 4.1825 8.2592 123.6315 52.7324 20.1513 177.6435 *90 S 4.2783 8.3292 116.6376 58.4485 64.3447 174.5122 *91 K 4.1936 8.3092 124.5871 55.0913 33.4310 176.2786 *92 Q 4.2413 8.2859 117.8284 54.7487 30.0148 175.2616 *93 G 3.7995 8.3492 109.8161 45.9329 0.0000 174.7101 *94 K 4.1019 8.3092 123.9413 54.9248 33.7069 176.3766 *95 K 4.1936 8.3092 123.1559 54.9638 33.6082 176.2508 *96 L 4.2136 8.1792 121.7820 54.7511 42.8118 177.6721 *97 V 3.9936 8.0492 118.6872 61.1725 33.5446 175.9508 *98 L 4.2136 8.1792 122.7094 54.7966 42.7340 177.4435 *99 S 4.3436 8.3292 117.8780 58.5846 64.2089 174.6721 *100 V 4.0213 7.9959 118.0492 60.5276 33.3488 175.5616 *101 G 3.7995 8.3492 111.6793 46.2217 0.0000 174.1690 *102 Y 4.3319 8.1392 120.9535 57.3218 38.8691 175.7099 *103 S 4.3436 8.3292 119.0385 58.8432 64.3778 173.9800 *104 H 4.6036 8.4392 119.8207 54.4826 29.6950 172.0159 *105 P 4.2936 0.0000 0.0000 62.5377 32.5750 177.3721 *106 V 3.9936 8.0492 118.3184 61.2372 33.5182 175.8087 *107 E 4.2236 8.4392 118.6964 56.3827 31.5448 176.3239 *108 I 4.0436 8.0192 119.5050 60.3363 37.5155 175.9087 *109 E 4.2236 8.4392 119.2327 55.8584 31.5327 174.5159 *110 P 4.2936 0.0000 0.0000 62.5053 32.8071 176.8087 *111 E 4.2236 8.4392 117.1635 56.3620 31.6147 176.1087 *112 E 4.2513 8.3859 115.4030 55.6523 31.7665 175.8616 *113 G 3.7995 8.3492 110.6917 45.9719 0.0000 174.5508 *114 L 4.1219 8.1792 122.5674 54.7188 42.9104 177.0751 *115 E 4.2236 8.4392 117.5323 56.3827 31.6411 176.3239 *116 I 4.0436 8.0192 119.5050 60.3363 37.5155 175.9087 *117 E 4.2236 8.4392 119.2327 56.3944 31.5327 176.6721 *118 V 3.9936 8.0492 118.8637 60.7337 33.6700 174.2159 *119 P 4.2936 0.0000 0.0000 62.5832 32.5854 177.1435 *120 S 4.3436 8.3292 117.5092 58.6150 64.1826 174.2786 *121 Q 4.2136 8.3392 121.5655 55.7341 29.8375 175.7964 *122 T 4.2236 8.1692 112.9979 61.1508 70.4838 174.5101 *123 K 4.1936 8.3092 125.6738 55.0492 33.7132 176.3239 *124 I 4.0436 8.0192 119.5651 60.3569 37.3716 176.1239 *125 I 4.0436 8.0192 121.0288 60.3686 37.2817 176.4720 *126 V 3.9936 8.0492 120.3876 61.1335 33.4362 176.1101 *127 K 4.2213 8.2559 121.7775 54.3189 33.5305 175.8616 *128 G 3.7766 8.2476 108.0672 45.3224 0.0000 173.7736 *129 A 4.0908 8.2592 125.3830 52.7157 20.1721 177.1595 *130 D 4.4483 8.3592 119.0930 53.5628 41.8647 176.2122 *131 K 4.1936 8.3092 123.4075 55.0913 33.6903 176.2786 *132 Q 4.2136 8.3392 120.1342 55.4810 30.0148 175.8765 *133 R 4.2136 8.2492 119.1526 56.6979 31.4216 176.3721 *134 V 4.0213 7.9959 115.6520 60.5276 33.6039 175.5616 *135 G 3.7995 8.3492 111.6793 46.0366 0.0000 174.4087 *136 E 4.1319 8.4392 118.5544 56.2973 31.7212 176.2173 *137 L 4.1908 8.0776 119.0372 54.0045 42.9557 176.4736 *138 A 4.1597 8.1576 121.6762 51.9403 20.0919 176.6736 *139 A 4.1172 8.2592 123.1204 52.6876 20.2277 177.3115 *140 N 4.5483 8.4192 117.3280 52.7696 39.6593 175.0260 *141 I 4.0436 8.0192 118.9024 60.3590 37.5443 176.2765 *142 R 4.1908 8.1476 118.8674 55.9513 31.2127 175.1736 *143 A 4.1825 8.2592 123.6315 52.6869 20.1513 177.8721 *144 V 3.9283 8.0492 117.4467 61.2599 33.6804 176.2786 *145 R 4.2136 8.2492 121.0158 56.1620 31.2248 174.2159 *146 P 4.2936 0.0000 0.0000 62.0017 32.7409 175.2159 *147 P 4.2936 0.0000 0.0000 62.5053 32.6553 176.8087 *148 E 4.2236 8.4392 117.1635 55.8584 31.6147 174.5159 *149 P 4.2936 0.0000 0.0000 62.6904 32.8071 176.5690 *150 Y 4.4236 8.1392 119.5626 57.1402 38.7626 175.7101 *151 K 4.2213 8.2559 121.7739 54.3189 33.7955 175.8616 *152 G 3.7995 8.3492 110.7519 45.9329 0.0000 174.7101 *153 K 4.1296 8.2559 121.6355 54.3189 33.7069 175.8281 *154 G 3.7995 8.3492 110.7519 46.0573 0.0000 174.6239 *155 I 3.9519 8.0192 120.3505 60.3590 37.4702 176.2429 *156 R 4.2136 8.2492 121.5521 56.8507 31.2127 175.5690 *157 Y 4.4236 8.1392 119.2021 57.2439 38.8482 175.4087 *158 E 4.2513 8.3859 116.3869 55.6523 31.8099 175.8616 *159 G 3.7995 8.3492 110.6917 46.0366 0.0000 174.4087 *160 E 4.1319 8.4392 118.5544 56.2973 31.7212 176.2173 *161 L 4.2136 8.1792 121.7219 54.7511 42.9557 177.6721 *162 V 3.9936 8.0492 118.6872 61.2599 33.5446 176.1765 *163 R 4.2136 8.2492 121.0158 56.6009 31.2248 175.9508 *164 L 4.2136 8.1792 120.8159 54.5824 41.6082 176.4053 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 I 7.99 3.86 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 *3 E 8.61 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 *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 P 0.00 4.27 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 *6 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 *7 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 *8 V 8.05 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 *9 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 *10 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 *11 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 *12 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 *13 N 8.37 4.64 0.00 2.48 2.66 0.00 0.00 6.84 7.51 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 *14 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 *15 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.71 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 *16 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 *17 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 *18 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 *19 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 *20 K 8.26 4.22 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 *21 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 *22 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 *23 K 8.26 4.22 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 *24 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 *25 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 *26 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 *27 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 *28 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 *29 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 *30 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 *31 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 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 *33 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 *34 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 *35 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 *36 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 *37 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 *38 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 *39 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 *40 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 *41 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.67 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 *42 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 *43 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 *44 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 *45 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 *46 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 *47 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 *48 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 *49 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 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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 *125 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 *126 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 *127 K 8.26 4.22 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 *128 G 8.25 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 A 8.26 4.09 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 *130 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 *131 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 *132 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 *133 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 *134 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 *135 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 *136 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 *137 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 *138 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 *139 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 *140 N 8.42 4.55 0.00 2.50 2.64 0.00 0.00 6.76 7.72 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 *141 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 *142 R 8.15 4.19 0.00 1.57 1.77 0.00 3.20 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 *143 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 *144 V 8.05 3.93 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 0.70 0.00 0.00 0.93 0.00 0.00 *145 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 *146 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 *147 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 *148 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 *149 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 *150 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 *151 K 8.26 4.22 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 *152 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 *153 K 8.26 4.13 0.00 1.54 1.64 0.00 1.61 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 *154 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 *155 I 8.02 3.95 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 *156 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 *157 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 *158 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 *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 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 *161 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 *162 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 *163 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 *164 L 8.18 4.21 0.00 1.40 1.51 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.