NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *45 N 4.5534 8.5245 117.7897 52.3357 39.7763 174.7530 *46 T 4.0447 8.1369 111.2659 60.2937 70.4301 172.8428 *47 K 4.1936 8.4758 125.4193 55.1940 34.6442 176.4309 *48 C 4.5836 8.4492 118.4391 54.9333 41.8824 172.5159 *49 P 4.2936 0.0000 0.0000 62.5832 32.3289 177.1435 *50 S 4.3713 8.2759 115.2034 57.8426 64.1826 173.8616 *51 G 3.7995 8.3492 112.1831 46.2021 0.0000 175.0662 *52 C 4.4919 8.4492 119.2245 55.4596 41.9810 174.4429 *53 R 4.2136 8.2492 120.8620 56.8943 30.9683 175.8705 *54 M 4.3536 8.2992 118.8427 54.8688 33.3500 176.1101 *55 K 4.2213 8.2559 120.7170 54.3189 33.8632 175.8616 *56 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *57 L 4.1219 8.1792 122.5674 54.7394 42.9104 177.2904 *58 I 4.0436 8.0192 119.3284 60.3974 37.3901 175.7930 *59 D 4.5136 8.3592 122.0338 53.6665 41.6206 175.8087 *60 E 4.2236 8.4392 118.0205 56.3944 31.7046 176.6721 *61 V 3.9936 8.0492 118.8637 61.2984 33.6700 175.6930 *62 D 4.5136 8.3592 121.4975 53.7294 41.6327 175.9786 *63 Q 4.2136 8.3392 120.3858 55.5195 30.0968 175.3930 *64 D 4.5136 8.3592 119.6343 53.6585 41.8294 175.9724 *65 F 4.4936 8.3192 120.2747 57.4008 39.9841 175.5964 *66 T 4.2236 8.1692 115.6547 61.3324 70.2437 174.5435 *67 S 4.3436 8.3292 120.6326 58.5749 64.2955 174.4765 *68 R 4.2136 8.2492 121.5196 56.6862 31.1253 176.0239 *69 I 4.0436 8.0192 118.5990 60.3694 37.4494 175.8094 *70 N 4.6136 8.4192 120.2689 52.6452 39.4152 175.0101 *71 K 4.1936 8.3092 122.4933 54.9638 33.7809 176.2508 *72 L 4.2136 8.1792 121.7820 54.7415 42.8118 177.4765 *73 R 4.2136 8.2492 119.8517 56.7268 31.3211 175.6930 *74 D 4.5136 8.3592 119.6040 53.7444 41.7883 176.1435 *75 S 4.3436 8.3292 118.3663 58.4875 64.2725 174.2508 *76 L 4.2136 8.1792 123.2132 54.7107 42.6345 177.2724 *77 F 4.4936 8.3192 119.7865 57.1581 39.9206 175.2094 *78 N 4.6136 8.4192 120.5262 52.9340 39.3839 174.4690 *79 Y 4.4236 8.1392 119.5055 57.3067 38.9431 175.5786 *80 Q 4.2136 8.3392 121.0581 55.3546 30.2021 175.8101 *81 K 4.1936 8.3092 122.2201 55.0616 33.7272 176.0094 *82 N 4.6136 8.4192 118.8051 52.8268 39.5050 175.0435 *83 S 4.3436 8.3292 117.4521 58.4485 64.3632 174.4101 *84 K 4.1936 8.3092 124.5871 55.0897 33.4310 175.9930 *85 D 4.5136 8.3592 120.5701 53.7444 41.7105 176.1435 *86 S 4.3436 8.3292 118.3663 58.5853 64.2725 174.0094 *87 N 4.6136 8.4192 120.2363 53.0247 39.3278 174.9964 *88 T 4.2236 8.1692 113.2711 61.1898 70.5375 174.3508 *89 L 4.2136 8.1792 124.2999 54.9946 42.9168 177.3964 *90 T 4.2236 8.1692 113.6971 61.1508 70.3833 174.5101 *91 K 4.1936 8.3092 125.6738 55.0616 33.7132 176.0094 *92 N 4.6136 8.4192 118.8051 52.7696 39.5050 174.9239 *93 I 4.0436 8.0192 118.9024 60.3686 37.5443 176.4720 *94 V 3.9936 8.0492 120.3876 61.2372 33.4362 175.8087 *95 E 4.2236 8.4392 118.6964 56.2973 31.5448 176.2508 *96 L 4.2136 8.1792 121.7219 54.9475 42.9557 177.1705 *97 M 4.3536 8.2992 119.5721 54.9952 33.2907 176.1765 *98 R 4.2413 8.1959 117.6495 55.9559 31.5576 175.5616 *99 G 3.7995 8.3492 109.7858 46.0978 0.0000 174.2930 *100 D 4.4219 8.3592 121.3555 53.6585 41.8091 175.9388 *101 F 4.4708 8.2176 117.5901 56.4108 39.9841 174.6736 *102 A 4.1825 8.2592 126.3186 52.5508 19.9523 177.6101 *103 K 4.1054 8.2076 118.9941 54.3143 33.7625 175.5757 *104 A 4.1825 8.2592 124.5975 52.6876 20.0735 177.2094 *105 N 4.5483 8.4192 117.3280 52.7820 39.6593 174.7115 *106 N 4.6136 8.4192 118.1425 52.7820 39.6777 174.6094 *107 N 4.6136 8.4192 118.1425 52.8101 39.6777 174.5930 *108 D 4.5136 8.3592 119.9075 53.6996 41.8832 175.7094 *109 N 4.6136 8.4192 119.0567 53.0247 39.5871 174.9964 *110 T 4.2236 8.1692 113.2711 61.2465 70.5375 174.3724 *111 F 4.4936 8.3192 122.5411 57.0213 40.0071 175.6101 *112 K 4.1936 8.3092 124.8769 55.0913 33.4871 176.2786 *113 Q 4.2136 8.3392 120.1342 55.4790 30.0148 175.7239 *114 I 4.0436 8.0192 118.6293 60.3694 37.4905 175.8094 *115 N 4.6136 8.4192 120.2689 52.7489 39.4152 174.7087 *116 E 4.2236 8.4392 117.1063 56.4232 31.7953 175.9930 *117 D 4.5136 8.3592 120.5100 53.6018 41.8544 175.9508 *118 L 4.2136 8.1792 122.0336 54.7415 42.8938 177.4765 *119 R 4.2136 8.2492 119.8517 56.7434 31.3211 176.1435 *120 S 4.3436 8.3292 117.1486 58.5749 64.2683 174.4765 *121 R 4.2136 8.2492 121.5196 56.6862 31.1253 176.0239 *122 I 4.0436 8.0192 118.5990 60.3363 37.4494 175.9087 *123 E 4.2236 8.4392 119.2327 56.3827 31.5327 176.3239 *124 I 4.0436 8.0192 119.5050 60.2715 37.5155 176.0508 *125 L 4.2136 8.1792 123.2457 54.7415 42.7219 177.4765 *126 R 4.2136 8.2492 119.8517 56.6883 31.3211 176.1765 *127 R 4.2136 8.2492 119.1224 56.5619 31.3804 176.1101 *128 K 4.1936 8.3092 122.1899 55.0609 33.6860 176.6721 *129 V 3.9936 8.0492 118.9238 61.2579 33.5261 176.0239 *130 I 4.0436 8.0192 120.4925 60.3363 37.2938 175.9087 *131 E 4.2236 8.4392 119.2327 56.4248 31.5327 176.2786 *132 Q 4.2136 8.3392 120.0741 55.4907 30.1587 176.0721 *133 V 3.9936 8.0492 117.9881 61.3000 33.6451 175.9786 *134 Q 4.2136 8.3392 121.0617 55.4810 29.9370 175.8765 *135 R 4.2136 8.2492 119.1526 56.6862 31.4216 176.0239 *136 I 4.0436 8.0192 118.5990 60.3694 37.4494 175.8094 *137 N 4.6136 8.4192 120.2689 52.6842 39.4152 174.8508 *138 L 4.2136 8.1792 121.1194 54.6540 42.9845 177.2508 *139 L 4.2136 8.1792 121.5453 54.7816 42.8302 177.2786 *140 Q 4.2136 8.3392 119.8976 55.3546 30.0332 175.8101 *141 K 4.1936 8.3092 122.2201 55.0616 33.7272 176.0094 *142 N 4.6136 8.4192 118.8051 52.7813 39.5050 175.2720 *143 V 3.9936 8.0492 118.2612 61.2599 33.6988 176.1765 *144 R 4.2136 8.2492 121.0158 56.7268 31.2248 175.6930 *145 D 4.5136 8.3592 119.6040 53.7294 41.7883 175.9786 *146 Q 4.2136 8.3392 120.3858 55.3936 30.0968 175.6508 *147 L 4.2136 8.1792 120.8462 54.7511 42.9307 177.6721 *148 V 3.9936 8.0492 118.6872 61.2984 33.5446 175.6930 *149 D 4.5136 8.3592 121.4975 53.8953 41.6327 175.8705 *150 M 4.3536 8.2992 120.0603 54.8688 33.3543 176.1101 *151 K 4.1936 8.3092 123.0229 55.0512 33.8632 176.4765 *152 R 4.2136 8.2492 120.0884 56.6009 31.3026 175.9508 *153 L 4.2136 8.1792 120.8159 54.7188 42.8896 177.1087 *154 E 4.2236 8.4392 117.5323 56.3944 31.6411 176.6721 *155 V 3.9936 8.0492 118.8637 61.2984 33.6700 175.6930 *156 D 4.5136 8.3592 121.4975 53.6872 41.6327 176.0239 *157 I 4.0436 8.0192 119.8166 60.3974 37.4536 175.7930 *158 D 4.5136 8.3592 122.0338 53.6872 41.6206 176.0239 *159 I 4.0436 8.0192 119.8166 60.2325 37.4536 176.2101 *160 K 4.1936 8.3092 124.6196 55.0492 33.5184 176.3239 *161 I 4.0436 8.0192 119.5651 60.3590 37.3716 176.2765 *162 R 4.2136 8.2492 121.5521 56.7434 31.2127 176.1435 *163 S 4.3436 8.3292 117.1486 58.7177 64.2683 174.7663 *164 C 4.5836 8.4492 119.8703 55.3332 41.7051 174.4101 *165 K 4.2213 8.2559 121.6237 54.3189 33.2740 175.8616 *166 G 3.7995 8.3492 110.7519 46.1145 0.0000 174.7435 *167 S 4.2519 8.3292 118.9001 58.7177 64.2891 174.7327 *168 C 4.5836 8.4492 119.8703 55.5148 41.7051 174.4435 *169 S 4.3436 8.3292 118.8883 58.5749 63.8562 174.4765 *170 R 4.1908 8.1476 118.8349 55.9513 31.1253 175.1736 *171 A 4.1825 8.2592 123.6315 52.5898 20.1513 177.4508 *172 L 4.1483 8.1792 120.3049 54.7188 42.9660 177.2108 *173 E 4.2236 8.4392 117.5323 56.6530 31.6411 175.9800 *174 H 4.6036 8.4392 118.3294 54.8824 30.0162 173.9101 *175 K 4.1936 8.3092 123.6929 55.0609 33.5201 176.6721 *176 V 3.9936 8.0492 118.9238 61.2984 33.5261 175.6930 *177 D 4.5136 8.3592 121.4975 53.6018 41.6327 175.9508 *178 L 4.2136 8.1792 122.0336 54.7188 42.8938 177.1087 *179 E 4.2236 8.4392 117.5323 56.4232 31.6411 175.9930 *180 D 4.5136 8.3592 120.5100 53.8517 41.8544 175.5690 *181 Y 4.4236 8.1392 120.4197 57.1402 38.8525 175.7101 *182 K 4.1936 8.3092 124.0797 55.0616 33.7955 176.0094 *183 N 4.6136 8.4192 118.8051 52.8117 39.5050 174.8786 *184 Q 4.2136 8.3392 119.4716 55.5211 30.1874 175.6786 *185 Q 4.2136 8.3392 119.1985 55.3546 30.1337 175.8101 *186 K 4.1936 8.3092 122.2201 55.0913 33.7272 176.2786 *187 Q 4.2136 8.3392 120.1342 55.3936 30.0148 175.6508 *188 L 4.2136 8.1792 120.8462 54.7188 42.9307 177.1087 *189 E 4.2236 8.4392 117.5323 56.4248 31.6411 176.2786 *190 Q 4.2136 8.3392 120.0741 55.4907 30.1587 176.0721 *191 V 3.9936 8.0492 117.9881 61.2579 33.6451 176.0239 *192 I 4.0208 7.9176 117.8078 59.6220 37.2938 175.2736 *193 A 4.1825 8.2592 126.0613 52.6752 19.9836 177.5239 *194 I 3.9783 8.0192 118.0879 60.3694 37.5258 175.9115 *195 N 4.6136 8.4192 120.2689 52.6842 39.4152 174.8508 *196 L 4.2136 8.1792 121.1194 54.6540 42.9845 177.2508 *197 L 4.2136 8.1792 121.5453 54.2152 42.8302 175.5159 *198 P 4.2936 0.0000 0.0000 62.5832 32.6816 177.1435 *199 S 4.3436 8.3292 117.5092 58.5749 64.1826 174.4765 *200 R 4.2136 8.2492 121.5196 56.7268 31.1253 175.6930 *201 D 4.5136 8.3592 119.6040 53.6872 41.7883 176.0239 *202 I 4.0436 8.0192 119.8166 60.3991 37.4536 176.0786 *203 Q 4.2136 8.3392 121.5980 55.6434 29.9249 175.2690 *204 Y 4.4236 8.1392 119.2323 57.1792 38.8894 175.5508 *205 L 4.2136 8.1792 122.7058 54.2152 42.9991 175.5159 *206 P 4.2936 0.0000 0.0000 62.5260 32.6816 177.0239 *207 I 4.0436 8.0192 118.9596 60.2715 37.3637 176.0508 *208 L 4.2136 8.1792 123.2457 54.6150 42.7219 177.4101 *209 K 4.1936 8.3092 122.9193 55.2573 33.6267 176.1705 *210 M 4.3536 8.2992 119.8088 55.0504 33.2722 176.1435 *211 S 4.3436 8.3292 117.9817 58.8280 64.4455 174.3964 *212 T 4.2236 8.1692 115.3649 61.2752 70.1876 174.4239 *213 I 4.0436 8.0192 122.0830 60.6121 37.4766 176.1964 *214 T 4.2513 8.1159 113.0916 60.5449 70.2750 173.9616 *215 G 3.7995 8.3492 113.2698 45.5330 0.0000 172.8159 *216 P 4.2019 0.0000 0.0000 62.5377 32.7618 177.3385 *217 V 3.9936 8.0492 118.3184 60.7337 33.5182 174.2159 *218 P 4.2936 0.0000 0.0000 62.5280 32.5854 177.1765 *219 R 4.2136 8.2492 119.4829 56.6656 31.2947 175.8087 *220 E 4.2236 8.4392 116.8029 56.3540 31.7004 176.2724 *221 F 4.4936 8.3192 119.9631 57.0213 40.0460 175.6101 *222 K 4.1936 8.3092 124.8769 55.1064 33.4871 176.4435 *223 S 4.3436 8.3292 118.1147 58.6150 64.1905 174.2786 *224 Q 4.2136 8.3392 121.5655 55.3220 28.5562 174.8053 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *45 N 8.52 4.55 0.00 2.48 2.66 0.00 0.00 6.55 6.83 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 *46 T 8.14 4.04 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 K 8.48 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 *48 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 *49 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 *50 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 *51 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 *52 C 8.45 4.49 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 *53 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 *54 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 *55 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 *56 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 *57 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 *58 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 *59 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 *60 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 *61 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 *62 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 *63 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 *64 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 *65 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 *66 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 *67 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 *68 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 *69 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 *70 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 *71 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 *72 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 *73 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 *74 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 *75 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 *76 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 *77 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 *78 N 8.42 4.61 0.00 2.48 2.66 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 *79 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 *80 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 *81 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 *82 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 *83 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 *84 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 *85 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 *86 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 *87 N 8.42 4.61 0.00 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 *88 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 *89 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 *90 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 *91 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 *92 N 8.42 4.61 0.00 2.48 2.66 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 *93 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 *94 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 *95 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 *96 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 *97 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 *98 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 *99 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 *100 D 8.36 4.42 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 *101 F 8.22 4.47 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.21 0.00 0.00 *111 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 *112 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 *113 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 *114 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 *115 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 *116 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 *117 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 *118 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 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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 *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 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 *130 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 *131 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 *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 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 *134 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 *135 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 *136 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 *137 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 *138 L 8.18 4.21 0.00 1.40 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *139 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 *140 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 *141 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 *142 N 8.42 4.61 0.00 2.48 2.66 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 *143 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.91 0.00 0.00 *160 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 *161 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 *162 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 *163 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *164 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 *165 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 *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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *168 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 *169 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 *170 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 *171 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 *172 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 *173 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 *174 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 *175 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 *176 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 *177 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 *178 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 *179 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 *180 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 *181 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 *182 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 *183 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *184 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 *185 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 *186 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 *187 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 *188 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 *189 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 *190 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 *191 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 *192 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 *193 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 *194 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 *195 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 *196 L 8.18 4.21 0.00 1.40 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *197 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 *198 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 *199 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 *200 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 *201 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 *202 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 *203 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *204 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 *205 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 *206 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 *207 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 *208 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 *209 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 *210 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 *211 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 *212 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 *213 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 *214 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 *215 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 *216 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 *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 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 *219 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 *220 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 *221 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 *222 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 *223 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 *224 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.