NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.1798 33.5435 175.8530 *2 K 4.0147 8.2769 121.0177 54.2493 33.7146 174.7594 *3 S 4.3436 8.4958 117.8602 58.7809 65.1214 173.8352 *4 M 4.3536 8.2992 121.2400 55.1576 33.0950 175.5690 *5 Y 4.4008 8.0376 117.3504 56.5297 39.0254 174.7736 *6 A 4.1825 8.2592 125.5214 52.8396 20.2608 177.0690 *7 Y 4.3583 8.1392 118.6910 57.2646 38.9247 175.7260 *8 I 4.0436 8.0192 120.4889 60.3590 37.5589 176.2765 *9 R 4.2136 8.2492 121.5521 56.6656 31.2127 175.8087 *10 E 4.2008 8.3376 114.1182 55.6478 31.7004 175.4736 *11 A 4.1825 8.2592 124.5374 52.4198 20.2174 177.4994 *12 W 4.4683 8.2692 120.8680 56.5745 30.3399 176.0122 *13 K 4.1936 8.3092 122.6880 55.0512 33.1277 176.4765 *14 R 4.2136 8.2492 120.0884 56.1620 31.3026 174.2159 *15 P 4.2936 0.0000 0.0000 62.6904 32.7409 176.5690 *16 Y 4.4236 8.1392 119.5626 57.2439 38.7626 175.4087 *17 E 4.2513 8.3859 116.3869 55.6523 31.8099 175.8616 *18 G 3.7995 8.3492 110.6917 46.2217 0.0000 174.1690 *19 Y 4.3319 8.1392 120.9535 57.2763 38.8691 175.9385 *20 V 4.0213 7.9959 117.5418 60.5276 33.7134 175.5616 *21 G 3.7995 8.3492 111.6793 46.0366 0.0000 174.4087 *22 E 4.1319 8.4392 118.5544 56.2973 31.7212 176.2173 *23 L 4.2136 8.1792 121.7219 54.9475 42.9557 177.1705 *24 M 4.3536 8.2992 119.5721 54.7378 33.2907 175.9994 *25 W 4.5336 8.2692 122.2121 56.9692 30.4407 175.4800 *26 H 4.6036 8.4392 117.9216 55.0089 29.3917 173.9765 *27 R 4.2136 8.2492 120.6254 56.6009 31.2144 175.9508 *28 L 4.2136 8.1792 120.8159 54.7816 42.8896 177.2786 *29 Q 4.2136 8.3392 119.8976 55.3546 30.0332 175.8101 *30 K 4.1936 8.3092 122.2201 54.7938 33.7272 176.2994 *31 W 4.5336 8.2692 122.3451 56.7009 30.1857 175.9765 *32 R 4.2136 8.2492 119.6205 56.6883 30.8220 176.1765 *33 R 4.2136 8.2492 119.1224 56.6656 31.3804 175.8087 *34 E 4.2236 8.4392 116.8029 55.8584 31.7004 174.5159 *35 P 4.2708 0.0000 0.0000 61.7911 32.8071 176.1736 *36 A 4.1825 8.2592 123.9921 52.6869 20.0656 177.8721 *37 V 3.9283 8.0492 117.4467 61.2696 33.6804 176.4742 *38 V 3.9936 8.0492 119.8512 61.2599 33.4484 176.1765 *39 R 4.2136 8.2492 121.0158 56.6862 31.2248 176.0239 *40 I 4.0436 8.0192 118.5990 59.8327 37.4494 174.3159 *41 P 4.2936 0.0000 0.0000 62.5280 32.5733 177.1765 *42 R 4.2136 8.2492 119.4829 56.1620 31.2947 174.2159 *43 P 4.2936 0.0000 0.0000 62.7811 32.7409 177.0964 *44 T 4.2236 8.1692 113.3282 61.2772 70.3570 174.5765 *45 R 4.2136 8.2492 122.6063 56.6009 31.4076 175.9508 *46 L 4.2136 8.1792 120.8159 54.7799 42.8896 176.9930 *47 D 4.5136 8.3592 120.3334 53.6893 41.7289 176.1765 *48 R 4.1908 8.1476 117.6553 55.9513 31.3846 175.1736 *49 A 4.1825 8.2592 123.6315 52.6772 20.1513 177.6765 *50 R 4.1254 8.1476 115.9266 55.9513 31.4568 175.2757 *51 A 4.1825 8.2592 123.6315 52.5898 20.1513 177.4508 *52 L 4.1760 8.1259 117.9990 54.0091 42.9660 176.9637 *53 G 3.7995 8.3492 110.5152 46.2217 0.0000 174.1690 *54 Y 4.3319 8.1392 120.9535 57.1402 38.8691 175.6766 *55 K 4.1708 8.2076 121.3950 54.3143 33.7955 175.4736 *56 A 4.1825 8.2592 124.5975 52.5508 20.0735 177.6101 *57 K 4.1283 8.3092 121.6788 54.9248 33.7625 176.5122 *58 K 4.2213 8.2559 120.8501 54.3189 33.6082 175.8616 *59 G 3.7995 8.3492 110.7519 46.0573 0.0000 174.6239 *60 I 3.9519 8.0192 120.3505 60.3569 37.4702 176.0904 *61 I 4.0436 8.0192 121.0288 60.3686 37.2817 176.4720 *62 V 3.9936 8.0492 120.3876 61.2696 33.4362 176.3721 *63 V 3.9936 8.0492 119.8512 61.2599 33.4484 176.1765 *64 R 4.2136 8.2492 121.0158 56.6979 31.2248 176.3721 *65 V 3.9936 8.0492 117.9578 61.2599 33.6039 176.1765 *66 R 4.2136 8.2492 121.0158 56.6862 31.2248 176.0239 *67 I 4.0436 8.0192 118.5990 60.3590 37.4494 176.2765 *68 R 4.2136 8.2492 121.5521 56.6883 31.2127 176.1765 *69 R 4.2413 8.1959 116.8165 55.9559 31.3804 175.5616 *70 G 3.8272 8.2959 107.4800 45.3270 0.0000 174.1616 *71 G 3.7078 8.3492 111.5373 46.0593 0.0000 174.7429 *72 R 4.1219 8.2492 120.8738 56.6883 31.4012 176.1429 *73 R 4.1908 8.1476 116.4377 55.9513 31.3804 175.1736 *74 A 4.1825 8.2592 123.6315 52.9303 20.1513 177.5964 *75 T 4.1583 8.1692 112.4566 61.2772 70.5191 174.6786 *76 R 4.2136 8.2492 122.6063 56.1620 31.4076 174.2159 *77 P 4.2936 0.0000 0.0000 62.5384 32.7409 176.7094 *78 N 4.6136 8.4192 118.1997 52.6452 39.4972 175.0101 *79 K 4.2213 8.2559 120.1874 54.3189 33.7809 175.8616 *80 G 3.7995 8.3492 110.7519 46.0593 0.0000 174.7765 *81 R 4.1219 8.2492 120.8738 56.5619 31.4012 176.0766 *82 K 4.1936 8.3092 122.1899 55.1064 33.6860 176.4435 *83 S 4.3436 8.3292 118.1147 58.4485 64.1905 174.4101 *84 K 4.1936 8.3092 124.5871 54.9248 33.4310 176.4101 *85 K 4.1936 8.3092 123.1559 55.2573 33.6082 176.1705 *86 M 4.3536 8.2992 119.8088 55.2012 33.2722 175.8705 *87 M 4.3536 8.2992 119.6758 55.0049 33.5272 176.3721 *88 V 3.9936 8.0492 118.7908 61.2703 33.7811 175.7094 *89 N 4.6136 8.4192 119.7325 52.7716 39.4273 175.0765 *90 R 4.2136 8.2492 119.4258 56.6883 31.4753 176.1765 *91 R 4.2136 8.2492 119.1224 56.1620 31.3804 174.2159 *92 P 4.2936 0.0000 0.0000 62.5280 32.7409 177.1765 *93 R 4.2136 8.2492 119.4829 56.5619 31.2947 176.1101 *94 K 4.1936 8.3092 122.1899 54.9248 33.6860 176.4101 *95 K 4.1936 8.3092 123.1559 55.0616 33.6082 176.0094 *96 N 4.6136 8.4192 118.8051 52.6842 39.5050 174.8508 *97 L 4.2136 8.1792 121.1194 54.7816 42.9845 177.2786 *98 Q 4.2136 8.3392 119.8976 55.2236 30.0332 175.6994 *99 W 4.5336 8.2692 121.4093 56.6988 30.3046 175.8239 *100 I 4.0208 7.9176 116.4125 59.6220 36.8910 175.2736 *101 A 4.1825 8.2592 126.0613 52.6545 19.9836 177.3087 *102 E 4.1583 8.4392 116.2918 56.3620 31.7768 176.2108 *103 E 4.2236 8.4392 117.7088 56.3847 31.7665 176.4765 *104 R 4.1908 8.1476 117.3436 55.9513 31.4465 175.1736 *105 A 4.1825 8.2592 123.6315 52.6876 20.1513 177.2094 *106 N 4.5483 8.4192 117.3280 52.7716 39.6593 175.1786 *107 R 4.2136 8.2492 119.4258 56.5619 31.4753 176.1101 *108 K 4.1936 8.3092 122.1899 55.2136 33.6860 175.8690 *109 Y 4.4236 8.1392 120.1681 56.7403 38.7705 173.8159 *110 P 4.2936 0.0000 0.0000 62.5384 32.8504 176.7094 *111 N 4.6136 8.4192 118.1997 52.9777 39.4972 174.7705 *112 M 4.3536 8.2992 119.1461 54.9725 33.4449 175.8087 *113 E 4.2236 8.4392 117.6359 56.3944 31.8776 176.6721 *114 V 3.9936 8.0492 118.8637 61.1725 33.6700 175.9508 *115 L 4.2136 8.1792 122.7094 54.7518 42.7340 177.0094 *116 N 4.6136 8.4192 118.5685 52.8268 39.5235 175.0435 *117 S 4.3436 8.3292 117.4521 58.7373 64.3632 173.8690 *118 Y 4.4236 8.1392 121.5993 57.0092 38.5932 175.5994 *119 W 4.5336 8.2692 123.2689 56.7105 30.3730 176.1721 *120 V 4.0213 7.9959 116.1501 60.5276 33.0455 175.5616 *121 G 3.7995 8.3492 111.6793 46.0366 0.0000 174.4087 *122 E 4.1319 8.4392 118.5544 56.4232 31.7212 175.9595 *123 D 4.5413 8.3059 118.2041 52.9569 41.8544 175.5616 *124 G 3.7995 8.3492 111.0034 46.0593 0.0000 174.7765 *125 R 4.1219 8.2492 120.8738 56.8507 31.4012 175.5354 *126 Y 4.4236 8.1392 119.2021 57.1402 38.8482 175.7101 *127 K 4.1936 8.3092 124.0797 54.7938 33.7955 176.2994 *128 W 4.5336 8.2692 122.3451 56.6702 30.1857 175.7724 *129 F 4.4936 8.3192 119.5553 57.1250 39.4215 175.3087 *130 E 4.2236 8.4392 119.4900 56.3944 31.5014 176.6721 *131 V 3.9936 8.0492 118.8637 61.2579 33.6700 176.0239 *132 I 4.0436 8.0192 120.4925 60.2715 37.2938 176.0508 *133 L 4.2136 8.1792 123.2457 54.7511 42.7219 177.6721 *134 V 3.9936 8.0492 118.6872 61.2984 33.5446 175.6930 *135 D 4.5136 8.3592 121.4975 53.6893 41.6327 176.1765 *136 R 4.2136 8.2492 120.3400 56.7268 31.3846 175.6930 *137 D 4.5136 8.3592 119.6040 53.9576 41.7883 175.6800 *138 H 4.6036 8.4392 118.6411 54.4826 29.9543 172.0159 *139 P 4.2708 0.0000 0.0000 61.7911 32.5750 176.1736 *140 A 4.1825 8.2592 123.9921 52.6752 20.0656 177.5239 *141 I 3.9783 8.0192 118.0879 60.2325 37.5258 176.3122 *142 K 4.1936 8.3092 124.6196 55.1064 33.5184 176.4435 *143 S 4.3436 8.3292 118.1147 58.6134 64.1905 173.9930 *144 D 4.5136 8.3592 122.0013 53.1630 41.5332 174.2159 *145 P 4.2936 0.0000 0.0000 62.5681 32.7452 176.9786 *146 Q 4.2136 8.3392 119.5288 55.3936 30.0069 175.6508 *147 L 4.2136 8.1792 120.8462 54.7966 42.9307 177.4435 *148 S 4.3436 8.3292 117.8780 58.3175 64.2089 174.2994 *149 W 4.5336 8.2692 123.7763 56.7105 30.0084 176.1721 *150 V 3.9936 8.0492 118.4559 61.3151 33.0455 176.1435 *151 S 4.3436 8.3292 119.0421 58.5749 64.1127 174.4765 *152 R 4.2136 8.2492 121.5196 56.9414 31.1253 176.0964 *153 T 4.2236 8.1692 112.9677 61.2772 70.4426 174.5765 *154 R 4.2413 8.1959 120.3005 55.9559 31.4076 175.5616 *155 G 3.7995 8.3492 109.7858 46.0593 0.0000 174.7765 *156 R 4.1219 8.2492 120.8738 56.6979 31.4012 176.3385 *157 V 3.9936 8.0492 117.9578 61.4223 33.6039 175.5690 *158 Y 4.4236 8.1392 121.0955 57.2666 38.6927 175.7765 *159 R 4.2413 8.1959 118.7064 55.9559 31.4899 175.5616 *160 G 3.7995 8.3492 109.7858 45.9719 0.0000 174.5508 *161 L 4.1219 8.1792 122.5674 54.9946 42.9104 177.3628 *162 T 4.2236 8.1692 113.6971 61.3324 70.3833 174.5435 *163 S 4.3208 8.2276 117.9479 57.8380 64.2955 173.4736 *164 A 4.2102 8.2059 123.7229 51.9449 19.8962 177.0616 *165 G 3.7341 8.3492 109.2747 46.0593 0.0000 174.8786 *166 R 4.1219 8.2492 120.8738 56.5619 31.4012 176.0766 *167 K 4.1708 8.2076 119.5052 54.3143 33.6860 175.4736 *168 A 4.1825 8.2592 124.5975 52.6772 20.0735 177.6765 *169 R 4.1760 8.1959 116.3054 55.9559 31.4568 175.6637 *170 G 3.7995 8.3492 109.7858 45.9719 0.0000 174.5508 *171 L 4.1219 8.1792 122.5674 54.7415 42.9104 177.4429 *172 R 4.2136 8.2492 119.8517 56.6883 31.3211 176.1765 *173 R 4.2136 8.2492 119.1224 56.5619 31.3804 176.1101 *174 K 4.2213 8.2559 119.8840 54.3189 33.6860 175.8616 *175 G 3.7995 8.3492 110.7519 46.0593 0.0000 174.7765 *176 R 4.1496 8.1959 118.5680 55.9559 31.4012 175.5281 *177 G 3.7766 8.2476 107.1011 45.3224 0.0000 173.7736 *178 A 4.0908 8.2592 125.3830 52.6545 20.1721 177.2751 *179 E 4.1583 8.4392 116.2918 56.2583 31.7768 176.5122 *180 K 4.1936 8.3092 123.0958 55.0609 33.7522 176.6721 *181 V 3.9936 8.0492 118.9238 61.2599 33.5261 176.1765 *182 R 4.2136 8.2492 121.0158 56.1620 31.2248 174.2159 *183 P 4.2936 0.0000 0.0000 62.5832 32.7409 177.1435 *184 S 4.3436 8.3292 117.5092 58.4875 64.1826 174.2508 *185 L 4.2136 8.1792 123.2132 54.7415 42.6345 177.4765 *186 R 4.1908 8.1476 117.1671 55.9513 31.3211 175.1736 *187 A 4.1825 8.2592 123.6315 52.6876 20.1513 177.2094 *188 N 4.5483 8.4192 117.3280 52.7409 39.6593 174.9745 *189 F 4.4936 8.3192 119.3605 57.1477 40.0748 175.6765 *190 R 4.2136 8.2492 121.8094 56.5619 31.1814 176.1101 *191 K 4.1936 8.3092 122.1899 54.9248 33.6860 176.4101 *192 K 4.1936 8.3092 123.1559 55.0512 33.6082 176.4765 *193 R 4.2136 8.2492 120.0884 56.6883 31.3026 176.1765 *194 R 4.2136 8.2492 119.1224 56.5293 30.0991 175.1053 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 K 8.28 4.01 0.00 1.60 1.65 0.00 1.58 0.00 0.00 1.73 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 *3 S 8.50 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 *4 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 *5 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 *6 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 *7 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 *8 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 *9 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 *10 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 *11 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 *12 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 *13 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 *14 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 *15 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 *16 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 *17 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 *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 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 *20 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 *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 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 *23 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 *24 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 *25 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 *26 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 *27 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 *28 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 *29 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 *30 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 *31 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 *32 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 *33 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 *34 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 *35 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 *36 A 8.26 4.18 1.24 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 0.00 1.84 2.08 0.00 *111 N 8.42 4.61 0.00 2.48 2.66 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 *112 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 *113 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 *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 L 8.18 4.21 0.00 1.40 1.51 0.92 0.96 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 *116 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.64 0.00 0.00 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 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 *118 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 *119 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 *120 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 *121 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 *122 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 *123 D 8.31 4.54 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 *124 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 *125 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 *126 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 *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 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 *129 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 *130 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 *131 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 *132 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 *133 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 *134 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 *135 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 *136 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 *137 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 *138 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 *139 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 *140 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 *141 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 *142 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 *143 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 *144 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 *145 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 *146 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 *147 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 *148 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 *149 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 *150 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 *151 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 *152 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 *153 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 *154 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 *155 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 *156 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 *157 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 *158 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 *159 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 *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 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 *162 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 *163 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 *164 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 *165 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 *166 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 *167 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 *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 R 8.20 4.18 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 *170 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 *171 L 8.18 4.12 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 *172 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 *173 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 *174 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 *175 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 *176 R 8.20 4.15 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 *177 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 *178 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 *179 E 8.44 4.16 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 *180 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 *181 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 *182 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 *183 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 *184 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 *185 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 *186 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 *187 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 *188 N 8.42 4.55 0.00 2.50 2.64 0.00 0.00 6.76 7.43 0.00 0.00 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 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 *190 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 *191 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 *192 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 *193 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 *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 * Residues marked with a * may have inaccurate shift predictions.