NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.1534 8.4445 119.1188 54.8305 30.2860 175.5530 *3 D 4.3347 8.3269 117.6291 52.9749 41.7489 174.9774 *4 C 4.6113 8.5335 117.2832 54.7273 42.8953 173.5263 *5 G 3.7995 8.3492 111.5255 45.9719 0.0000 174.5508 *6 L 4.1219 8.1792 122.5674 54.2152 42.9104 175.4824 *7 P 4.2936 0.0000 0.0000 62.0017 32.6816 175.2159 *8 P 4.2936 0.0000 0.0000 62.5665 32.6553 176.6930 *9 D 4.5136 8.3592 119.9646 53.6989 41.7026 176.3721 *10 V 3.9936 8.0492 119.1754 60.7337 33.6081 174.2159 *11 P 4.2936 0.0000 0.0000 62.5384 32.5854 176.7094 *12 N 4.5908 8.3176 115.5150 52.0347 39.4972 174.0736 *13 A 4.1825 8.2592 123.9349 52.7173 20.2462 177.4786 *14 Q 4.1483 8.3392 118.6571 54.9547 30.1690 174.0180 *15 P 4.2708 0.0000 0.0000 61.7911 32.7821 176.1736 *16 A 4.1825 8.2592 123.9921 52.5898 20.0656 177.4508 *17 L 4.1483 8.1792 120.3049 54.7188 42.9660 177.2108 *18 E 4.2513 8.3859 115.2265 55.6523 31.6411 175.8616 *19 G 3.7995 8.3492 110.6917 46.0593 0.0000 174.7765 *20 R 4.1219 8.2492 120.8738 56.9414 31.4012 176.0628 *21 T 4.2236 8.1692 112.9677 61.3324 70.4426 174.5435 *22 S 4.3436 8.3292 120.6326 58.5442 64.2955 174.2724 *23 F 4.4936 8.3192 121.4544 56.6214 39.7248 173.7159 *24 P 4.2936 0.0000 0.0000 62.5053 32.5420 176.8087 *25 E 4.2236 8.4392 117.1635 56.4232 31.6147 175.9930 *26 D 4.5136 8.3592 120.5100 53.9424 41.8544 176.0964 *27 T 4.2236 8.1692 114.1853 61.2869 70.4469 174.7720 *28 V 3.9936 8.0492 121.4418 61.2579 33.6311 176.0239 *29 I 4.0436 8.0192 120.4925 60.6121 37.2938 176.1964 *30 T 4.2236 8.1692 115.3974 61.4396 70.2750 173.9690 *31 Y 4.4236 8.1392 122.6861 57.1402 38.8754 175.7101 *32 K 4.1936 8.3092 124.0797 55.1940 33.7955 176.7663 *33 C 4.5836 8.4492 118.4391 55.4369 41.8824 174.1087 *34 E 4.2236 8.4392 118.5426 56.3620 31.2883 176.1087 *35 E 4.2236 8.4392 117.7088 56.4398 31.7665 176.4435 *36 S 4.3436 8.3292 118.0546 58.5442 64.3344 174.2724 *37 F 4.4936 8.3192 121.4544 57.1574 39.7248 175.8721 *38 V 3.9936 8.0492 120.6449 61.1335 33.4049 176.1101 *39 K 4.1936 8.3092 124.0833 55.0492 33.5305 176.3239 *40 I 4.0436 8.0192 119.5651 59.8327 37.3716 174.3159 *41 P 4.3213 0.0000 0.0000 61.7956 32.5733 176.5616 *42 G 3.7995 8.3492 110.1464 46.0366 0.0000 174.4087 *43 E 4.1319 8.4392 118.5544 56.2583 31.7212 176.3766 *44 K 4.1936 8.3092 123.0958 55.0897 33.7522 175.9930 *45 D 4.5136 8.3592 120.5701 53.7444 41.7105 176.1435 *46 S 4.3436 8.3292 118.3663 58.5846 64.2725 174.6721 *47 V 3.9936 8.0492 120.3550 61.2579 33.3488 176.0239 *48 I 4.0436 8.0192 120.4925 60.5017 37.2938 176.5662 *49 C 4.5836 8.4492 119.9028 55.3722 41.7925 174.2508 *50 L 4.2136 8.1792 122.5556 54.6150 42.4775 177.4101 *51 K 4.2213 8.2559 120.6134 54.3189 33.6267 175.8616 *52 G 3.7995 8.3492 110.7519 46.1145 0.0000 174.7435 *53 S 4.2519 8.3292 118.9001 58.6150 64.2891 174.2450 *54 Q 4.2136 8.3392 121.5655 55.2236 29.8375 175.6994 *55 W 4.5336 8.2692 121.4093 56.7560 30.3046 175.9435 *56 S 4.3436 8.3292 117.6468 58.6134 63.7099 173.9930 *57 D 4.5136 8.3592 122.0013 53.6872 41.5332 176.0239 *58 I 4.0436 8.0192 119.8166 60.3363 37.4536 175.9087 *59 E 4.2236 8.4392 119.2327 56.3620 31.5327 176.1087 *60 E 4.2236 8.4392 117.7088 56.3540 31.7665 176.2724 *61 F 4.4936 8.3192 119.9631 57.2905 40.0460 175.9663 *62 C 4.5836 8.4492 120.1601 55.4700 41.7612 174.0094 *63 N 4.6136 8.4192 119.5787 52.7716 39.1707 175.0765 *64 R 4.2136 8.2492 119.4258 56.7434 31.4753 176.1435 *65 S 4.3436 8.3292 117.1486 58.7177 64.2683 174.7663 *66 C 4.5836 8.4492 119.8703 55.4369 41.7051 174.1087 *67 E 4.2236 8.4392 118.5426 56.3944 31.2883 176.6721 *68 V 3.9936 8.0492 118.8637 60.7337 33.6700 174.2159 *69 P 4.2936 0.0000 0.0000 62.7811 32.5854 177.0964 *70 T 4.2236 8.1692 113.3282 61.2772 70.3570 174.5765 *71 R 4.2136 8.2492 122.6063 56.6009 31.4076 175.9508 *72 L 4.2136 8.1792 120.8159 54.7518 42.8896 177.0094 *73 N 4.6136 8.4192 118.5685 52.8268 39.5235 175.0435 *74 S 4.3208 8.2276 114.7674 57.8380 64.3632 173.4736 *75 A 4.1825 8.2592 126.0288 52.7324 19.8962 177.6435 *76 S 4.2783 8.3292 116.6376 58.4875 64.3447 174.3529 *77 L 4.2136 8.1792 123.2132 54.6150 42.6345 177.4101 *78 K 4.1936 8.3092 122.9193 55.0913 33.6267 176.2786 *79 Q 4.2136 8.3392 120.1342 54.9547 30.0148 173.9159 *80 P 4.2936 0.0000 0.0000 62.6904 32.7821 176.5690 *81 Y 4.4236 8.1392 119.5626 57.2646 38.7626 175.6239 *82 I 4.0436 8.0192 120.4889 60.6121 37.5589 176.1964 *83 T 4.2236 8.1692 115.3974 61.3173 70.2750 174.3786 *84 Q 4.2136 8.3392 122.6522 55.4914 30.1198 175.4094 *85 N 4.6136 8.4192 117.8694 52.9340 39.6240 174.4690 *86 Y 4.4236 8.1392 119.5055 57.2359 38.9431 175.5724 *87 F 4.4936 8.3192 120.9470 56.6214 40.0894 173.7159 *88 P 4.2936 0.0000 0.0000 62.5377 32.5420 177.3721 *89 V 4.0213 7.9959 116.0125 60.5276 33.5182 175.5616 *90 G 3.7995 8.3492 111.6793 46.3124 0.0000 174.6964 *91 T 4.1319 8.1692 114.7191 61.2869 70.4635 174.7385 *92 V 3.9936 8.0492 121.4418 61.2696 33.6311 176.3721 *93 V 3.9936 8.0492 119.8512 61.2372 33.4484 175.8087 *94 E 4.2236 8.4392 118.6964 56.5471 31.5448 175.8690 *95 Y 4.4236 8.1392 120.1080 57.2439 38.9144 175.4087 *96 E 4.2236 8.4392 118.6928 56.5274 31.8099 176.7663 *97 C 4.5836 8.4492 118.3790 55.4596 42.0263 174.4765 *98 R 4.2136 8.2492 120.8620 56.1620 30.9683 174.2159 *99 P 4.3213 0.0000 0.0000 61.7956 32.7409 176.5616 *100 G 3.7995 8.3492 110.1464 46.2217 0.0000 174.1690 *101 Y 4.3319 8.1392 120.9535 57.2666 38.8691 175.7429 *102 R 4.2136 8.2492 121.0122 56.6883 31.4899 176.1765 *103 R 4.2136 8.2492 119.1224 56.6656 31.3804 175.8087 *104 E 4.2236 8.4392 116.8029 55.8584 31.7004 174.5159 *105 P 4.2936 0.0000 0.0000 62.5832 32.8071 177.1435 *106 S 4.3436 8.3292 117.5092 58.4875 64.1826 174.2508 *107 L 4.2136 8.1792 123.2132 54.7966 42.6345 177.4435 *108 S 4.3436 8.3292 117.8780 58.0486 64.2089 172.5159 *109 P 4.2936 0.0000 0.0000 62.4016 32.4859 177.1101 *110 K 4.1936 8.3092 122.5504 54.9638 33.6004 176.2508 *111 L 4.2136 8.1792 121.7820 54.9946 42.8118 177.3964 *112 T 4.2236 8.1692 113.6971 61.4200 70.3833 174.8663 *113 C 4.5836 8.4492 120.9570 55.3722 41.9874 174.2508 *114 L 4.2136 8.1792 122.5556 54.7816 42.4775 177.2786 *115 Q 4.2136 8.3392 119.8976 55.4914 30.0332 175.4094 *116 N 4.6136 8.4192 117.8694 52.6842 39.6240 174.8508 *117 L 4.2136 8.1792 121.1194 54.6150 42.9845 177.4101 *118 K 4.1936 8.3092 122.9193 54.7938 33.6267 176.2994 *119 W 4.5336 8.2692 122.3451 56.7560 30.1857 175.9435 *120 S 4.3436 8.3292 117.6468 58.8280 63.7099 174.3964 *121 T 4.2008 8.0676 112.6802 60.5403 70.1876 173.5736 *122 A 4.1825 8.2592 127.1155 52.6869 20.1785 177.8721 *123 V 3.9283 8.0492 117.4467 61.2372 33.6804 175.9108 *124 E 4.2236 8.4392 118.6964 56.3540 31.5448 176.2724 *125 F 4.4936 8.3192 119.9631 57.2905 40.0460 175.9663 *126 C 4.5836 8.4492 120.1601 55.3332 41.7612 174.4101 *127 K 4.1936 8.3092 123.9295 54.9248 33.2740 176.4101 *128 K 4.1936 8.3092 123.1559 54.9248 33.6082 176.4101 *129 K 4.1936 8.3092 123.1559 55.1064 33.6082 176.4435 *130 S 4.3436 8.3292 118.1147 58.7177 64.1905 174.7663 *131 C 4.5836 8.4492 119.8703 54.9333 41.7051 172.5159 *132 P 4.2936 0.0000 0.0000 62.5384 32.3289 176.7094 *133 N 4.6136 8.4192 118.1997 52.2453 39.4972 173.1159 *134 P 4.3213 0.0000 0.0000 61.7956 32.8358 176.5616 *135 G 3.7995 8.3492 110.1464 46.0366 0.0000 174.4087 *136 E 4.1319 8.4392 118.5544 56.3827 31.7212 176.2904 *137 I 4.0436 8.0192 119.5050 60.3590 37.5155 176.2765 *138 R 4.2136 8.2492 121.5521 56.6987 31.2127 175.7094 *139 N 4.6413 8.3659 115.5333 52.0393 39.5828 174.4616 *140 G 3.7995 8.3492 110.0892 46.0994 0.0000 174.5786 *141 Q 4.1219 8.3392 120.9197 55.4790 30.1134 175.6904 *142 I 4.0436 8.0192 118.6293 60.3974 37.4905 175.7930 *143 D 4.5136 8.3592 122.0338 53.6989 41.6206 176.3721 *144 V 3.9936 8.0492 119.1754 60.7337 33.6081 174.2159 *145 P 4.3213 0.0000 0.0000 61.7956 32.5854 176.5616 *146 G 3.8272 8.2959 107.8405 45.3270 0.0000 174.1616 *147 G 3.7078 8.3492 111.5373 46.0573 0.0000 174.5904 *148 I 3.9519 8.0192 120.3505 60.2715 37.4702 176.0173 *149 L 4.2136 8.1792 123.2457 54.7107 42.7219 177.2724 *150 F 4.5213 8.2659 117.4807 56.4154 39.9206 175.0616 *151 G 3.7766 8.2476 109.7882 45.3224 0.0000 173.7736 *152 A 4.0908 8.2592 125.3830 52.9303 20.1721 177.5628 *153 T 4.1583 8.1692 112.4566 61.2752 70.5191 174.5260 *154 I 4.0436 8.0192 122.0830 60.4141 37.4766 176.2435 *155 S 4.3436 8.3292 119.5784 58.5442 64.1006 174.2724 *156 F 4.4936 8.3192 121.4544 57.2029 39.7248 175.6435 *157 S 4.3436 8.3292 119.8357 58.7177 64.0693 174.7663 *158 C 4.5836 8.4492 119.8703 55.4700 41.7051 174.0094 *159 N 4.6136 8.4192 119.5787 53.0247 39.1707 174.9964 *160 T 4.2513 8.1159 110.9652 60.5449 70.5375 173.9616 *161 G 3.7995 8.3492 113.2698 46.2217 0.0000 174.1690 *162 Y 4.3319 8.1392 120.9535 57.1402 38.8691 175.6766 *163 K 4.1936 8.3092 124.0797 54.9638 33.7955 176.2508 *164 L 4.2136 8.1792 121.7820 54.7107 42.8118 177.2724 *165 F 4.5213 8.2659 117.4807 56.4154 39.9206 175.0616 *166 G 3.7995 8.3492 112.4729 46.1145 0.0000 174.7435 *167 S 4.2519 8.3292 118.9001 58.8280 64.2891 174.3628 *168 T 4.2236 8.1692 115.3649 61.3324 70.1876 174.5435 *169 S 4.3436 8.3292 120.6326 58.6301 64.2955 174.4435 *170 S 4.3436 8.3292 119.5459 58.5442 64.0132 174.2724 *171 F 4.4936 8.3192 121.4544 57.2905 39.7248 175.9663 *172 C 4.5836 8.4492 120.1601 55.3722 41.7612 174.2508 *173 L 4.2136 8.1792 122.5556 54.7394 42.4775 177.3239 *174 I 4.0436 8.0192 119.3284 60.4141 37.3901 176.2435 *175 S 4.3713 8.2759 117.2726 57.8426 64.1006 173.8616 *176 G 3.7995 8.3492 112.1831 46.1145 0.0000 174.7435 *177 S 4.2519 8.3292 118.9001 58.6301 64.2891 174.4099 *178 S 4.3436 8.3292 119.5459 58.5846 64.0132 174.6721 *179 V 3.9936 8.0492 120.3550 61.3000 33.3488 175.9786 *180 Q 4.2136 8.3392 121.0617 55.2236 29.9370 175.6994 *181 W 4.5336 8.2692 121.4093 56.7560 30.3046 175.9435 *182 S 4.3436 8.3292 117.6468 58.6134 63.7099 173.9930 *183 D 4.5136 8.3592 122.0013 53.1630 41.5332 174.2159 *184 P 4.2936 0.0000 0.0000 62.4406 32.7452 176.9508 *185 L 4.2136 8.1792 121.1765 54.2152 42.8039 175.5159 *186 P 4.2936 0.0000 0.0000 62.5053 32.6816 176.8087 *187 E 4.2236 8.4392 117.1635 56.5274 31.6147 176.7663 *188 C 4.5836 8.4492 118.3790 55.4596 42.0263 174.4765 *189 R 4.2136 8.2492 120.8620 56.6656 30.9683 175.8087 *190 E 4.2236 8.4392 116.8029 56.3827 31.7004 176.3239 *191 I 4.0436 8.0192 119.5050 60.5214 37.5155 175.6690 *192 Y 4.4236 8.1392 121.6318 57.4094 38.6806 176.0662 *193 C 4.5836 8.4492 119.3629 54.9333 42.0696 172.5159 *194 P 4.2708 0.0000 0.0000 61.7911 32.3289 176.1736 *195 A 4.1825 8.2592 123.9921 52.1509 20.0656 175.7159 *196 P 4.2283 0.0000 0.0000 62.0017 32.8174 175.3180 *197 P 4.2936 0.0000 0.0000 62.5681 32.6553 176.9786 *198 Q 4.2136 8.3392 119.5288 55.4790 30.0069 175.7239 *199 I 4.0436 8.0192 118.6293 60.3974 37.4905 175.7930 *200 D 4.5136 8.3592 122.0338 53.6996 41.6206 175.7094 *201 N 4.6413 8.3659 116.7509 52.0393 39.5871 174.4616 *202 G 3.7995 8.3492 110.0892 46.0573 0.0000 174.6239 *203 I 3.9519 8.0192 120.3505 60.3569 37.4702 176.0904 *204 I 4.0436 8.0192 121.0288 60.3991 37.2817 176.0786 *205 Q 4.2413 8.2859 119.2921 54.7487 29.9249 175.2616 *206 G 3.7995 8.3492 109.8161 46.0366 0.0000 174.4087 *207 E 4.1319 8.4392 118.5544 56.3847 31.7212 176.4429 *208 R 4.2136 8.2492 120.0283 56.7268 31.4465 175.6930 *209 D 4.5136 8.3592 119.6040 53.9576 41.7883 175.6800 *210 H 4.6036 8.4392 118.6411 55.1713 29.9543 173.3690 *211 Y 4.4513 8.0859 118.3993 56.5343 38.6823 175.1616 *212 G 3.7995 8.3492 111.6757 46.2217 0.0000 174.1690 *213 Y 4.3319 8.1392 120.9535 57.2666 38.8691 175.7429 *214 R 4.2136 8.2492 121.0122 56.7284 31.4899 175.9786 *215 Q 4.2136 8.3392 119.1682 55.5362 30.0926 175.8435 *216 S 4.3436 8.3292 117.1789 58.5846 64.3094 174.6721 *217 V 3.9936 8.0492 120.3550 61.5131 33.3488 176.0964 *218 T 4.2236 8.1692 114.8611 61.4396 70.2871 173.9690 *219 Y 4.4008 8.0376 120.0014 56.5297 38.8754 174.7736 *220 A 4.1825 8.2592 125.5214 52.8200 20.2608 177.9663 *221 C 4.5183 8.4492 116.9620 55.4700 42.0366 174.1115 *222 N 4.6136 8.4192 119.5787 52.6452 39.1707 175.0101 *223 K 4.2213 8.2559 120.1874 54.3189 33.7809 175.8616 *224 G 3.7995 8.3492 110.7519 46.0286 0.0000 174.5724 *225 F 4.4019 8.3192 120.8086 57.4008 40.0007 175.5628 *226 T 4.2236 8.1692 115.6547 61.4833 70.2437 174.2705 *227 M 4.3536 8.2992 122.3267 54.9932 33.3772 176.0239 *228 I 4.0713 7.9659 117.1262 59.6266 37.6266 175.6616 *229 G 3.7995 8.3492 112.2156 46.0366 0.0000 174.4087 *230 E 4.1319 8.4392 118.5544 56.6530 31.7212 175.9464 *231 H 4.6036 8.4392 118.3294 55.0640 30.0162 173.9435 *232 S 4.3436 8.3292 118.6517 58.5729 64.1023 174.3239 *233 I 4.0436 8.0192 120.9963 60.5214 37.1943 175.6690 *234 Y 4.4236 8.1392 121.6318 57.4094 38.6806 176.0662 *235 C 4.5836 8.4492 119.3629 55.7127 42.0696 174.3964 *236 T 4.2236 8.1692 114.7073 61.2869 70.0306 174.7720 *237 V 3.9936 8.0492 121.4418 61.2703 33.6311 175.7094 *238 N 4.6136 8.4192 119.7325 52.7820 39.4273 174.6094 *239 N 4.6136 8.4192 118.1425 52.8101 39.6777 174.5930 *240 D 4.5136 8.3592 119.9075 53.6665 41.8832 175.8087 *241 E 4.2513 8.3859 115.7147 55.6523 31.7046 175.8616 *242 G 3.7995 8.3492 110.6917 46.0366 0.0000 174.4087 *243 E 4.1319 8.4392 118.5544 56.1273 31.7212 176.2659 *244 W 4.5336 8.2692 122.2850 56.7560 30.3296 175.9435 *245 S 4.3713 8.2759 115.3409 57.8426 63.7099 173.8616 *246 G 3.7995 8.3492 112.1831 45.5330 0.0000 172.8159 *247 P 4.2019 0.0000 0.0000 62.0017 32.7618 175.1824 *248 P 4.2936 0.0000 0.0000 62.0017 32.6553 175.2159 *249 P 4.2936 0.0000 0.0000 62.5053 32.6553 176.8087 *250 E 4.2236 8.4392 117.1635 56.5274 31.6147 176.7663 *251 C 4.5836 8.4492 118.3790 55.4596 42.0263 174.4765 *252 R 4.2413 8.1959 118.5562 55.9559 30.9683 175.5616 *253 G 3.7995 8.3492 109.7858 45.9003 0.0000 173.7052 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 *2 Q 8.44 4.15 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *3 D 8.33 4.33 0.00 2.52 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 *4 C 8.53 4.61 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *5 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 *6 L 8.18 4.12 0.00 1.42 1.50 0.92 0.87 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 *7 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 *8 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 *9 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 *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 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 *12 N 8.32 4.59 0.00 2.48 2.66 0.00 0.00 6.84 7.46 0.00 0.00 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 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 *14 Q 8.34 4.15 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 2.42 0.00 *15 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 *16 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 *17 L 8.18 4.15 0.00 1.42 1.50 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 *18 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 *19 G 8.35 3.80 0.00 0.00 0.00 0.00 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*110 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 *111 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 *112 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 *113 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *114 L 8.18 4.21 0.00 1.40 1.51 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 *115 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 *116 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.79 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 *117 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 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 *118 K 8.31 4.19 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 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 *128 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 *129 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 *130 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 *131 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *132 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 *133 N 8.42 4.61 0.00 2.48 2.66 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 *134 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 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2.48 2.66 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 *160 T 8.12 4.25 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 *161 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 *162 Y 8.14 4.33 0.00 2.09 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 0.00 0.00 0.00 0.00 *163 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 *164 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 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 *165 F 8.27 4.52 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 *166 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 *167 S 8.33 4.25 0.00 3.61 3.69 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 *184 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 *185 L 8.18 4.21 0.00 1.40 1.51 0.92 0.87 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 *186 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 *187 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 *188 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *189 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 *190 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 *191 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 *192 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 *193 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *194 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 *195 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 *196 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 *197 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 *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 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 *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 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 *202 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 *203 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 *204 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 *205 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 *206 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 *207 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 *208 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 *209 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 *210 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 *211 Y 8.09 4.45 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 *212 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 *213 Y 8.14 4.33 0.00 2.09 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 0.00 0.00 0.00 0.00 *214 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 *215 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 *216 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 *217 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 *218 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 *219 Y 8.04 4.40 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 *220 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 *221 C 8.45 4.52 0.00 2.71 2.91 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 *222 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *223 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 *224 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 *225 F 8.32 4.40 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 *226 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 *227 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 *228 I 7.97 4.07 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 1.35 0.97 0.91 0.00 0.00 *229 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 *230 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 *231 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 *232 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 *233 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 *234 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 *235 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *236 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 *237 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 *238 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.99 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 *239 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 8.06 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 *240 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 *241 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 *242 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 *243 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 *244 W 8.27 4.53 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 *245 S 8.28 4.37 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 *246 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 *247 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 *248 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 *249 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 *250 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 *251 C 8.45 4.58 0.00 2.69 2.93 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 0.00 0.00 0.00 0.00 *252 R 8.20 4.24 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 *253 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 * Residues marked with a * may have inaccurate shift predictions.