NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.3166 33.5435 175.8530 *2 N 4.4347 8.3869 116.6669 51.8838 39.6114 173.9809 *3 F 4.4936 8.4858 119.1060 57.1250 41.0057 174.9734 *4 E 4.2513 8.3859 117.1841 55.6523 31.5014 175.8616 *5 G 3.7995 8.3492 110.6917 45.9329 0.0000 174.7101 *6 K 4.1019 8.3092 123.9413 55.0492 33.7069 176.2904 *7 I 4.0208 7.9176 116.8804 59.6220 37.3716 175.2736 *8 A 4.1825 8.2592 126.0613 52.5898 19.9836 177.4508 *9 L 4.1483 8.1792 120.3049 54.7511 42.9660 177.7742 *10 V 3.9936 8.0492 118.6872 61.5131 33.5446 176.0964 *11 T 4.2513 8.1159 112.5553 60.5449 70.2871 173.9616 *12 G 3.7766 8.2476 110.5851 45.3224 0.0000 173.7736 *13 A 4.0908 8.2592 125.3830 52.7324 20.1721 177.6099 *14 S 4.2783 8.3292 116.6376 58.5749 64.3447 174.5786 *15 R 4.2413 8.1959 119.2138 55.9559 31.1253 175.5616 *16 G 3.7995 8.3492 109.7858 46.0573 0.0000 174.6239 *17 I 3.9796 7.9659 118.0446 59.6266 37.4702 175.6281 *18 G 3.7995 8.3492 112.2156 46.0593 0.0000 174.7765 *19 R 4.0991 8.1476 118.1891 55.9513 31.4012 175.1400 *20 A 4.1825 8.2592 123.6315 52.6752 20.1513 177.5239 *21 I 3.9554 7.9176 115.4032 59.6220 37.5258 175.3757 *22 A 4.1825 8.2592 126.0613 52.6545 19.9836 177.3087 *23 E 4.1583 8.4392 116.2918 56.6378 31.7768 176.4985 *24 T 4.2236 8.1692 113.8736 61.1898 70.5088 174.3508 *25 L 4.1908 8.0776 121.6152 54.0045 42.9168 176.4736 *26 A 4.1597 8.1576 121.6762 51.9403 20.0919 176.6736 *27 A 4.1172 8.2592 123.1204 52.6772 20.2277 177.7786 *28 R 4.1760 8.1959 116.3054 55.9559 31.4568 175.6637 *29 G 3.7766 8.2476 107.1011 45.3224 0.0000 173.7736 *30 A 4.0908 8.2592 125.3830 52.5508 20.1721 177.5766 *31 K 4.1283 8.3092 121.6788 55.0609 33.7625 176.7742 *32 V 3.9936 8.0492 118.9238 61.2579 33.5261 176.0239 *33 I 4.0713 7.9659 118.1866 59.6266 37.2938 175.6616 *34 G 3.7995 8.3492 112.2156 46.3124 0.0000 174.6964 *35 T 4.1091 8.0676 112.0344 60.5403 70.4635 173.5400 *36 A 4.1825 8.2592 127.1155 52.9303 20.1785 177.5964 *37 T 4.1583 8.1692 112.4566 61.3324 70.5191 174.6456 *38 S 4.3436 8.3292 120.6326 58.5522 64.2955 174.1087 *39 E 4.2236 8.4392 119.2002 56.3951 31.4453 176.0094 *40 N 4.6413 8.3659 116.4392 52.0393 39.6490 174.4616 *41 G 3.7766 8.2476 107.4045 45.3224 0.0000 173.7736 *42 A 4.0908 8.2592 125.3830 52.7173 20.1721 177.4450 *43 Q 4.1254 8.2376 115.9724 54.7441 30.1690 174.9757 *44 A 4.1825 8.2592 123.6618 52.6752 20.1924 177.5239 *45 I 3.9783 8.0192 118.0879 60.4141 37.5258 176.3456 *46 S 4.3436 8.3292 119.5784 58.6134 64.1006 173.9930 *47 D 4.5136 8.3592 122.0013 53.8517 41.5332 175.5690 *48 Y 4.4236 8.1392 120.4197 57.1792 38.8525 175.5508 *49 L 4.2413 8.1259 120.4000 54.0091 42.9991 176.8616 *50 G 3.7766 8.2476 107.8305 45.3224 0.0000 173.7736 *51 A 4.0908 8.2592 125.3830 52.6876 20.1721 177.1758 *52 N 4.5760 8.3659 115.0222 52.0393 39.6593 174.5637 *53 G 3.7995 8.3492 110.0892 45.9329 0.0000 174.7101 *54 K 4.1296 8.2559 121.6355 54.3189 33.7069 175.8281 *55 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *56 L 4.1219 8.1792 122.5674 54.9475 42.9104 177.1369 *57 M 4.3536 8.2992 119.5721 54.9078 33.2907 175.9508 *58 L 4.2136 8.1792 121.6490 54.7518 43.0668 177.0094 *59 N 4.6136 8.4192 118.5685 52.7813 39.5235 175.2720 *60 V 3.9936 8.0492 118.2612 61.5131 33.6988 176.0964 *61 T 4.2236 8.1692 114.8611 61.3157 70.2871 174.0930 *62 D 4.5136 8.3592 123.0880 53.1630 41.8155 174.2159 *63 P 4.2708 0.0000 0.0000 61.7911 32.7452 176.1736 *64 A 4.1825 8.2592 123.9921 52.7324 20.0656 177.6435 *65 S 4.2783 8.3292 116.6376 58.5729 64.3447 174.4260 *66 I 4.0436 8.0192 120.9963 60.3363 37.1943 175.9087 *67 E 4.2236 8.4392 119.2327 56.4398 31.5327 176.4435 *68 S 4.3436 8.3292 118.0546 58.5846 64.3344 174.6721 *69 V 3.9936 8.0492 120.3550 61.1725 33.3488 175.9508 *70 L 4.2136 8.1792 122.7094 54.7188 42.7340 177.1087 *71 E 4.2236 8.4392 117.5323 56.2583 31.6411 176.4101 *72 K 4.1936 8.3092 123.0958 55.0492 33.7522 176.3239 *73 I 4.0436 8.0192 119.5651 60.3590 37.3716 176.2765 *74 R 4.1908 8.1476 118.8674 55.9513 31.2127 175.1736 *75 A 4.1825 8.2592 123.6315 52.6545 20.1513 177.3087 *76 E 4.1583 8.4392 116.2918 56.3540 31.7768 176.3745 *77 F 4.5213 8.2659 117.6572 56.4154 40.0460 175.0616 *78 G 3.7995 8.3492 112.4729 46.0366 0.0000 174.4087 *79 E 4.1319 8.4392 118.5544 56.3944 31.7212 176.6385 *80 V 3.9936 8.0492 118.8637 61.2984 33.6700 175.6930 *81 D 4.5136 8.3592 121.4975 53.6872 41.6327 176.0239 *82 I 4.0436 8.0192 119.8166 60.2715 37.4536 176.0508 *83 L 4.2136 8.1792 123.2457 54.7511 42.7219 177.6721 *84 V 3.9936 8.0492 118.6872 61.2703 33.5446 175.7094 *85 N 4.6136 8.4192 119.7325 52.7820 39.4273 174.6094 *86 N 4.5908 8.3176 115.4578 52.0347 39.6777 174.0736 *87 A 4.2102 8.2059 121.6291 51.9449 20.2462 177.0616 *88 G 3.7341 8.3492 109.2747 46.0573 0.0000 174.7260 *89 I 3.9519 8.0192 120.3505 60.6121 37.4702 176.1628 *90 T 4.2236 8.1692 115.3974 61.2772 70.2750 174.5765 *91 R 4.2136 8.2492 122.6063 56.7268 31.4076 175.6930 *92 D 4.5136 8.3592 119.6040 53.6996 41.7883 175.7094 *93 N 4.6136 8.4192 119.0567 52.6842 39.5871 174.8508 *94 L 4.2136 8.1792 121.1194 54.6540 42.9845 177.2508 *95 L 4.2136 8.1792 121.5453 54.9475 42.8302 177.1705 *96 M 4.3536 8.2992 119.5721 54.9952 33.2907 176.1765 *97 R 4.2136 8.2492 119.9554 56.8943 31.5576 175.8705 *98 M 4.3536 8.2992 118.8427 54.8688 33.3500 176.1101 *99 K 4.1936 8.3092 123.0229 55.0897 33.8632 175.9930 *100 D 4.5136 8.3592 120.5701 53.6665 41.7105 175.8087 *101 E 4.2236 8.4392 118.0205 56.3620 31.7046 176.1087 *102 E 4.2236 8.4392 117.7088 56.1273 31.7665 176.2994 *103 W 4.5336 8.2692 122.2850 56.7113 30.3296 175.5094 *104 N 4.6136 8.4192 118.3372 52.8101 39.0244 174.5930 *105 D 4.5136 8.3592 119.9075 53.6872 41.8832 176.0239 *106 I 4.0436 8.0192 119.8166 60.3569 37.4536 176.1239 *107 I 4.0436 8.0192 121.0288 60.3363 37.2817 175.9087 *108 E 4.2236 8.4392 119.2327 56.6378 31.5327 176.3964 *109 T 4.2236 8.1692 113.8736 61.2876 70.5088 174.1094 *110 N 4.6136 8.4192 121.3231 52.6842 39.6100 174.8508 *111 L 4.2136 8.1792 121.1194 54.7966 42.9845 177.4435 *112 S 4.3436 8.3292 117.8780 58.6301 64.2089 174.4435 *113 S 4.3436 8.3292 119.5459 58.5846 64.0132 174.6721 *114 V 3.9936 8.0492 120.3550 61.2292 33.3488 175.9724 *115 F 4.4936 8.3192 120.9506 57.1477 39.8243 175.6765 *116 R 4.2136 8.2492 121.8094 56.6009 31.1814 175.9508 *117 L 4.2136 8.1792 120.8159 54.7966 42.8896 177.4435 *118 S 4.3436 8.3292 117.8780 58.4485 64.2089 174.4101 *119 K 4.1708 8.2076 121.9024 54.3143 33.4310 175.4736 *120 A 4.1825 8.2592 124.5975 52.6869 20.0735 177.8721 *121 V 3.9283 8.0492 117.4467 61.4660 33.6804 175.9726 *122 M 4.3536 8.2992 120.7362 54.9952 33.1945 176.1765 *123 R 4.1908 8.1476 117.2707 55.9513 31.5576 175.1736 *124 A 4.1825 8.2592 123.6315 52.8833 20.1513 177.3705 *125 M 4.2883 8.2992 118.3316 55.2012 33.4265 175.9726 *126 M 4.3536 8.2992 119.6758 54.8688 33.5272 176.1101 *127 K 4.1936 8.3092 123.0229 54.9248 33.8632 176.4101 *128 K 4.1936 8.3092 123.1559 55.0512 33.6082 176.4765 *129 R 4.2136 8.2492 120.0884 56.9566 31.3026 175.6800 *130 H 4.6313 8.3859 115.1176 54.2765 29.9501 173.3616 *131 G 3.7995 8.3492 111.2889 46.0593 0.0000 174.7765 *132 R 4.1219 8.2492 120.8738 56.6862 31.4012 175.9904 *133 I 4.0436 8.0192 118.5990 60.3569 37.4494 176.1239 *134 I 4.0436 8.0192 121.0288 60.6121 37.2817 176.1964 *135 T 4.2236 8.1692 115.3974 61.2752 70.2750 174.4239 *136 I 4.0713 7.9659 119.7772 59.6266 37.4766 175.6616 *137 G 3.8272 8.2959 109.9097 45.3270 0.0000 174.1616 *147 G 3.7078 8.3492 111.5373 46.0994 0.0000 174.5450 *148 Q 4.0991 8.2376 118.2350 54.7441 30.1134 174.8400 *149 A 4.1825 8.2592 123.6618 52.6876 20.1924 177.2094 *150 N 4.5483 8.4192 117.3280 52.9340 39.6593 174.5711 *151 Y 4.4008 8.0376 116.8208 56.5297 38.9431 174.7736 *152 A 4.1597 8.1576 122.8367 51.9403 20.2608 176.6736 *153 A 4.0943 8.1576 120.4357 51.9403 20.2277 176.7757 *154 A 4.1172 8.2592 123.1204 52.5508 20.2277 177.7122 *155 K 4.1054 8.2076 118.9941 54.3143 33.7625 175.5757 *156 A 4.2102 8.2059 122.2917 51.9449 20.0735 177.0616 *157 G 3.7341 8.3492 109.2747 45.9719 0.0000 174.6529 *158 L 4.1219 8.1792 122.5674 54.7394 42.9104 177.2904 *159 I 4.0713 7.9659 117.0226 59.6266 37.3901 175.6616 *160 G 3.7995 8.3492 112.2156 46.0286 0.0000 174.5724 *161 F 4.4019 8.3192 120.8086 57.2029 40.0007 175.6099 *162 S 4.3436 8.3292 119.8357 58.4485 64.0693 174.4101 *163 K 4.1936 8.3092 124.5871 55.1064 33.4310 176.4435 *164 S 4.3436 8.3292 118.1147 58.4875 64.1905 174.2508 *165 L 4.1908 8.0776 120.5285 54.0045 42.6345 176.4736 *166 A 4.1825 8.2592 124.3609 52.6772 20.0919 177.6765 *167 R 4.1483 8.2492 118.6113 56.6656 31.4568 175.9108 *168 E 4.2236 8.4392 116.8029 56.3944 31.7004 176.6721 *169 V 3.9708 7.9476 116.1790 60.5230 33.6700 175.1736 *170 A 4.1825 8.2592 125.5250 52.7324 19.9957 177.6435 *171 S 4.2783 8.3292 116.6376 58.5749 64.3447 174.5786 *172 R 4.2413 8.1959 119.2138 55.9559 31.1253 175.5616 *173 G 3.7995 8.3492 109.7858 46.0573 0.0000 174.6239 *174 I 3.9519 8.0192 120.3505 60.6121 37.4702 176.1628 *175 T 4.2236 8.1692 115.3974 61.2869 70.2750 174.7720 *176 V 3.9936 8.0492 121.4418 61.2703 33.6311 175.7094 *177 N 4.6136 8.4192 119.7325 52.7813 39.4273 175.2720 *178 V 3.9936 8.0492 118.2612 61.2696 33.6988 176.3721 *179 V 3.9708 7.9476 117.1665 60.5230 33.4484 175.1736 *180 A 4.1825 8.2592 125.5250 52.1509 19.9957 175.7159 *181 P 4.2560 0.0000 0.0000 61.7956 32.8174 176.6637 *182 G 3.7995 8.3492 110.1464 46.0286 0.0000 174.5724 *183 F 4.4019 8.3192 120.8086 57.1457 40.0007 175.4904 *184 I 4.0436 8.0192 121.2861 60.3363 37.2504 175.9087 *185 E 4.2236 8.4392 119.2327 56.6378 31.5327 176.3964 *186 T 4.2236 8.1692 113.8736 61.3324 70.5088 174.5435 *193 S 4.3436 8.3292 120.6326 58.6134 64.2955 173.9930 *194 D 4.5136 8.3592 122.0013 53.7277 41.5332 175.6930 *195 D 4.5136 8.3592 120.8217 53.7294 41.7925 175.9786 *196 Q 4.2136 8.3392 120.3858 55.4810 30.0968 175.8765 *197 R 4.1908 8.1476 116.4679 55.9513 31.4216 175.1736 *198 A 4.2102 8.2059 121.3257 51.9449 20.1513 177.0616 *199 G 3.7341 8.3492 109.2747 46.0573 0.0000 174.7260 *200 I 3.9519 8.0192 120.3505 60.2715 37.4702 176.0173 *201 L 4.1908 8.0776 120.5610 54.0045 42.7219 176.4736 *202 A 4.1825 8.2592 124.3609 52.7173 20.0919 177.4786 *203 Q 4.1483 8.3392 118.6571 55.4907 30.1690 176.1741 *204 V 3.9936 8.0492 117.9881 60.7337 33.6451 174.2159 *205 P 4.2708 0.0000 0.0000 61.7911 32.5854 176.1736 *206 A 4.2102 8.2059 121.6862 51.9449 20.0656 177.0616 *207 G 3.7341 8.3492 109.2747 46.0593 0.0000 174.8786 *208 R 4.1219 8.2492 120.8738 56.6009 31.4012 175.9173 *209 L 4.2413 8.1259 118.5101 54.0091 42.8896 176.8616 *210 G 3.8272 8.2959 108.2094 45.3270 0.0000 174.1616 *211 G 3.6849 8.2476 108.8526 45.3224 0.0000 173.7400 *212 A 4.0908 8.2592 125.3830 52.7173 20.1721 177.4450 *213 Q 4.1483 8.3392 118.6571 55.4583 30.1690 175.6108 *214 E 4.2236 8.4392 116.8332 56.3827 31.7416 176.3239 *215 I 4.0208 7.9176 116.8203 59.6220 37.5155 175.2736 *216 A 4.1825 8.2592 126.0613 52.6876 19.9836 177.2094 *217 N 4.5254 8.3176 114.6433 52.0347 39.6593 174.1757 *218 A 4.1825 8.2592 123.9349 52.6869 20.2462 177.8721 *219 V 3.9054 7.9476 114.7620 60.5230 33.6804 175.2757 *220 A 4.1825 8.2592 125.5250 52.6465 19.9957 177.4724 *221 F 4.4283 8.3192 118.5460 57.0603 40.0563 175.5529 *222 L 4.1908 8.0776 120.8183 54.0045 42.6906 176.4736 *223 A 4.1825 8.2592 124.3609 52.7324 20.0919 177.6435 *224 S 4.2783 8.3292 116.6376 58.6134 64.3447 174.0951 *225 D 4.5136 8.3592 122.0013 53.6665 41.5332 175.8087 *226 E 4.2008 8.3376 115.3358 55.6478 31.7046 175.4736 *227 A 4.1597 8.1576 121.8528 51.9403 20.2174 176.6736 *228 A 4.1172 8.2592 123.1204 52.8396 20.2277 177.1711 *229 Y 4.3583 8.1392 118.6910 57.2646 38.9247 175.7260 *230 I 4.0436 8.0192 120.4889 60.6121 37.5589 176.1964 *231 T 4.2513 8.1159 113.0916 60.5449 70.2750 173.9616 *232 G 3.7995 8.3492 113.2698 46.0366 0.0000 174.4087 *233 E 4.1319 8.4392 118.5544 56.6378 31.7212 176.3628 *234 T 4.2236 8.1692 113.8736 61.1898 70.5088 174.3508 *235 L 4.2136 8.1792 124.2999 55.0098 42.9168 176.9800 *236 H 4.6036 8.4392 118.1529 55.0185 29.8907 174.1721 *237 V 3.9936 8.0492 119.4609 61.2703 33.4379 175.7094 *238 N 4.6413 8.3659 117.4267 52.0393 39.4273 174.4616 *239 G 3.8272 8.2959 107.7834 45.3270 0.0000 174.1616 *240 G 3.7078 8.3492 111.5373 46.2653 0.0000 174.4369 *241 M 4.2619 8.2992 120.5942 54.8362 32.0895 175.0717 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 M 8.40 4.29 0.00 1.77 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 *2 N 8.39 4.43 0.00 2.56 2.66 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 F 8.49 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 *4 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 *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 K 8.31 4.10 0.00 1.54 1.64 0.00 1.61 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 *7 I 7.92 4.02 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 *8 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 *9 L 8.18 4.15 0.00 1.42 1.50 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 *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 8.12 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 *12 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 *13 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 *14 S 8.33 4.28 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 *15 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 *16 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 *17 I 7.97 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 1.35 0.60 0.91 0.00 0.00 *18 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 *19 R 8.15 4.10 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 *20 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 *21 I 7.92 3.96 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 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*96 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 *97 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 *98 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 *99 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 *100 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 *101 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 *102 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 *103 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 *104 N 8.42 4.61 0.00 2.48 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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 *113 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 *114 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 *115 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 *116 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 *117 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 *118 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 *119 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 *120 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 *121 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 *122 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 *123 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 *124 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 *125 M 8.30 4.29 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *126 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 *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 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 *130 H 8.39 4.63 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 *131 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 *132 R 8.25 4.12 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 *133 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 *134 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 *135 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 *136 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 *137 G 8.30 3.83 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 0.00 0.00 0.00 *147 G 8.35 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 0.00 0.00 0.00 *148 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 *149 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 *150 N 8.42 4.55 0.00 2.50 2.64 0.00 0.00 6.76 7.55 0.00 0.00 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 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 *152 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 *153 A 8.16 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 *154 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 *155 K 8.21 4.11 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 *156 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 *157 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 *158 L 8.18 4.12 0.00 1.42 1.50 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 *159 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 *160 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 *161 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 *162 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 *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 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 *165 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 *166 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 *167 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 *168 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 *169 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 *170 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 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*193 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 *194 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 *195 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 *196 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 *197 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 *198 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 *199 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 *200 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 *201 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 *202 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 *203 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 *204 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 *205 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 *206 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 *207 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 *208 R 8.25 4.12 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 *209 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 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 *210 G 8.30 3.83 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 0.00 0.00 0.00 *211 G 8.25 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 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 *213 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 *214 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 *215 I 7.92 4.02 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 *216 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 *217 N 8.32 4.53 0.00 2.50 2.64 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 *218 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 *219 V 7.95 3.91 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 0.72 0.00 0.00 0.93 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 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 *222 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 *223 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 *224 S 8.33 4.28 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 *225 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 *226 E 8.34 4.20 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 *227 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 *228 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 *229 Y 8.14 4.36 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 *230 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 *231 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 *232 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 *233 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 *234 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 *235 L 8.18 4.21 0.00 1.40 1.51 0.92 0.92 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 *236 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 *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 8.37 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 *239 G 8.30 3.83 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 0.00 0.00 0.00 *240 G 8.35 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 0.00 0.00 0.00 *241 M 8.30 4.26 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.