NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.4686 33.5435 175.8530 *2 Y 4.2447 8.1069 118.0299 56.4496 38.8768 173.9770 *3 Q 4.2136 8.5058 120.8035 55.4914 31.1330 175.0741 *4 N 4.6136 8.4192 117.8694 52.7409 39.6240 174.8724 *5 F 4.4936 8.3192 119.3605 57.1574 40.0748 175.8721 *6 V 3.9936 8.0492 120.6449 61.5131 33.4049 176.0964 *7 T 4.2236 8.1692 114.8611 61.1508 70.2871 174.5101 *8 K 4.1936 8.3092 125.6738 55.3195 33.7132 175.9800 *9 H 4.6036 8.4392 118.3895 55.0473 29.8723 173.4930 *10 D 4.5136 8.3592 121.1071 53.9424 41.6223 176.0964 *11 T 4.2008 8.0676 111.5006 60.5403 70.4469 173.5736 *12 A 4.1825 8.2592 127.1155 52.6752 20.1785 177.5239 *13 I 3.9783 8.0192 118.0879 60.3991 37.5258 176.1807 *14 Q 4.2136 8.3392 121.5980 55.7341 29.9249 175.7964 *15 T 4.2236 8.1692 112.9979 61.3324 70.4838 174.5435 *16 S 4.3436 8.3292 120.6326 58.5749 64.2955 174.4765 *17 R 4.2136 8.2492 121.5196 56.6576 31.1253 175.9724 *18 F 4.4936 8.3192 119.0571 57.2029 39.9799 175.6435 *19 S 4.3436 8.3292 119.8357 58.5846 64.0693 174.6721 *20 V 3.9936 8.0492 120.3550 61.5131 33.3488 176.0964 *21 T 4.2513 8.1159 112.5553 60.5449 70.2871 173.9616 *22 G 3.7995 8.3492 113.2698 46.0697 0.0000 174.3094 *23 N 4.5219 8.4192 119.5906 52.7813 39.6037 175.2385 *24 V 3.9936 8.0492 118.2612 61.2579 33.6988 176.0239 *25 I 4.0436 8.0192 120.4925 59.8327 37.2938 174.3159 *26 P 4.2708 0.0000 0.0000 61.7911 32.5733 176.1736 *27 A 4.1597 8.1576 121.3074 51.9403 20.0656 176.6736 *28 A 4.1172 8.2592 123.1204 52.1509 20.2277 175.8180 *29 P 4.2283 0.0000 0.0000 62.7811 32.8174 177.1985 *30 T 4.2513 8.1159 111.0224 60.5449 70.3570 173.9616 *31 G 3.7995 8.3492 113.2698 46.0697 0.0000 174.3094 *32 N 4.5219 8.4192 119.5906 52.7696 39.6037 174.8904 *33 I 4.0436 8.0192 118.9024 59.8327 37.5443 174.3159 *34 P 4.2936 0.0000 0.0000 62.5377 32.5733 177.3721 *35 V 3.9936 8.0492 118.3184 61.2579 33.5182 176.0239 *36 I 4.0436 8.0192 120.4925 60.3694 37.2938 175.8094 *37 N 4.6413 8.3659 117.9630 52.0393 39.4152 174.4616 *38 G 3.8272 8.2959 107.7834 45.3270 0.0000 174.1616 *39 G 3.7078 8.3492 111.5373 46.1145 0.0000 174.7099 *40 S 4.2519 8.3292 118.9001 58.5729 64.2891 174.2904 *41 I 4.0436 8.0192 120.9963 60.6121 37.1943 176.1964 *42 T 4.2008 8.0676 112.7127 60.5403 70.2750 173.5736 *43 A 4.1825 8.2592 127.1155 52.6545 20.1785 177.3087 *44 E 4.1583 8.4392 116.2918 56.3847 31.7768 176.5786 *45 R 4.1908 8.1476 117.3436 55.9513 31.4465 175.1736 *46 A 4.1825 8.2592 123.6315 52.6869 20.1513 177.8721 *47 V 3.9283 8.0492 117.4467 61.2696 33.6804 176.4742 *48 V 3.9936 8.0492 119.8512 61.2703 33.4484 175.7094 *49 N 4.6136 8.4192 119.7325 52.6842 39.4273 174.8508 *50 L 4.2136 8.1792 121.1194 54.9039 42.9845 176.8690 *51 Y 4.4008 8.0376 117.2468 56.5297 38.7889 174.7736 *52 A 4.1825 8.2592 125.5214 52.6876 20.2608 177.2094 *53 N 4.5483 8.4192 117.3280 52.9777 39.6593 174.8726 *54 M 4.3536 8.2992 119.1461 55.0056 33.4449 175.7094 *55 N 4.6136 8.4192 118.6721 52.7813 39.7600 175.2720 *56 V 3.9936 8.0492 118.2612 61.3151 33.6988 176.1435 *57 S 4.3436 8.3292 119.0421 58.8280 64.1127 174.3964 *58 T 4.2236 8.1692 115.3649 61.3324 70.1876 174.5435 *59 S 4.3436 8.3292 120.6326 58.6301 64.2955 174.4435 *60 S 4.3436 8.3292 119.5459 58.6134 64.0132 173.9930 *61 D 4.5413 8.3059 119.6955 52.9569 41.5332 175.5616 *62 G 3.7995 8.3492 111.0034 46.1145 0.0000 174.7435 *63 S 4.2519 8.3292 118.9001 58.5442 64.2891 174.2388 *64 F 4.4936 8.3192 121.4544 57.1457 39.7248 175.5239 *65 I 4.0436 8.0192 121.2861 60.3686 37.2504 176.4720 *66 V 3.9708 7.9476 117.7029 60.5230 33.4362 175.1736 *67 A 4.1825 8.2592 125.5250 52.8833 19.9957 177.3705 *68 M 4.2883 8.2992 118.3316 54.8688 33.4265 176.2122 *69 K 4.1936 8.3092 123.0229 55.0609 33.8632 176.6721 *70 V 3.9936 8.0492 118.9238 61.2984 33.5261 175.6930 *71 D 4.5136 8.3592 121.4975 53.9424 41.6327 176.0964 *72 T 4.2236 8.1692 114.1853 61.3324 70.4469 174.5435 *73 S 4.3436 8.3292 120.6326 58.0486 64.2955 172.5159 *74 P 4.2936 0.0000 0.0000 62.7811 32.4859 177.0964 *75 T 4.2236 8.1692 113.3282 61.3157 70.3570 174.0930 *76 D 4.5136 8.3592 123.0880 53.1630 41.8155 174.2159 *77 P 4.2936 0.0000 0.0000 62.5384 32.7452 176.7094 *78 N 4.6136 8.4192 118.1997 52.9144 39.4972 175.3663 *79 C 4.5836 8.4492 117.7765 55.4693 42.0550 174.6721 *80 V 3.9936 8.0492 119.6974 61.2579 33.1918 176.0239 *81 I 4.0436 8.0192 120.4925 60.4141 37.2938 176.2435 *82 S 4.3208 8.2276 116.8937 57.8380 64.1006 173.4736 *83 A 4.2102 8.2059 123.7229 51.9449 19.8962 177.0616 *84 G 3.7341 8.3492 109.2747 46.0690 0.0000 175.0741 *85 V 3.9019 8.0492 119.7093 61.2703 33.6247 175.6758 *86 N 4.6136 8.4192 119.7325 52.6842 39.4273 174.8508 *87 L 4.2136 8.1792 121.1194 54.7966 42.9845 177.4435 *88 S 4.3436 8.3292 117.8780 58.5442 64.2089 174.2724 *89 F 4.4708 8.2176 118.7697 56.4108 39.7248 174.6736 *90 A 4.2102 8.2059 124.0127 51.9449 19.9523 177.0616 *91 G 3.7341 8.3492 109.2747 46.3124 0.0000 174.7985 *92 T 4.1319 8.1692 114.7191 61.3324 70.4635 174.5099 *93 S 4.3436 8.3292 120.6326 58.7373 64.2955 173.8690 *94 Y 4.4236 8.1392 121.5993 56.7403 38.5932 173.8159 *95 P 4.2936 0.0000 0.0000 62.5260 32.8504 177.0239 *96 I 4.0436 8.0192 118.9596 60.3686 37.3637 176.4720 *97 V 4.0213 7.9959 118.0817 60.5276 33.4362 175.5616 *98 G 3.7995 8.3492 111.6793 46.0573 0.0000 174.6239 *99 I 3.9519 8.0192 120.3505 60.3686 37.4702 176.4385 *100 V 3.9936 8.0492 120.3876 61.2599 33.4362 176.1765 *101 R 4.2136 8.2492 121.0158 56.6576 31.2248 175.9724 *102 F 4.4936 8.3192 119.0571 57.1250 39.9799 175.3087 *103 E 4.2236 8.4392 119.4900 56.4398 31.5014 176.4435 *104 S 4.3208 8.2276 115.3699 57.8380 64.3344 173.4736 *105 A 4.1825 8.2592 126.0288 52.7324 19.8962 177.6435 *106 S 4.2783 8.3292 116.6376 58.5522 64.3447 174.2108 *107 E 4.2236 8.4392 119.2002 56.4248 31.4453 176.2786 *108 Q 4.2136 8.3392 120.0741 54.9547 30.1587 173.9159 *109 P 4.2936 0.0000 0.0000 62.7811 32.7821 177.0964 *110 T 4.2236 8.1692 113.3282 61.3324 70.3570 174.5435 *111 S 4.3436 8.3292 120.6326 58.5729 64.2955 174.3239 *112 I 4.0208 7.9176 118.3116 59.6220 37.1943 175.2736 *113 A 4.2102 8.2059 123.7554 51.9449 19.9836 177.0616 *114 G 3.7341 8.3492 109.2747 46.1145 0.0000 174.8456 *115 S 4.2519 8.3292 118.9001 58.5522 64.2891 174.0751 *116 E 4.2236 8.4392 119.2002 56.3944 31.4453 176.6721 *117 V 3.9936 8.0492 118.8637 61.2372 33.6700 175.8087 *118 E 4.2236 8.4392 118.6964 56.6530 31.5448 175.9800 *119 H 4.6036 8.4392 118.3294 55.1713 30.0162 173.3690 *120 Y 4.4236 8.1392 120.7052 56.7403 38.6823 173.8159 *121 P 4.2936 0.0000 0.0000 62.5260 32.8504 177.0239 *122 I 4.0436 8.0192 118.9596 60.3363 37.3637 175.9087 *123 E 4.2236 8.4392 119.2327 56.5907 31.5327 176.1705 *124 M 4.3536 8.2992 119.7486 55.0504 33.4162 176.1435 *125 S 4.3436 8.3292 117.9817 58.5846 64.4455 174.6721 *126 V 4.0213 7.9959 118.0492 60.5276 33.3488 175.5616 *127 G 3.7995 8.3492 111.6793 46.1145 0.0000 174.7435 *128 S 4.2796 8.2759 116.5943 57.8426 64.2891 173.8281 *129 G 3.8272 8.2959 109.8772 45.3270 0.0000 174.1616 *130 G 3.7078 8.3492 111.5373 46.0690 0.0000 174.9385 *131 V 3.9019 8.0492 119.7093 61.4027 33.6247 176.4327 *132 C 4.5836 8.4492 119.3665 55.5148 41.8046 174.4435 *133 S 4.3208 8.2276 116.2036 57.8380 63.8562 173.4736 *134 A 4.1825 8.2592 126.0288 52.6772 19.8962 177.6765 *135 R 4.1483 8.2492 118.6113 56.7268 31.4568 175.7951 *136 D 4.5136 8.3592 119.6040 53.8320 41.7883 176.4663 *137 C 4.5608 8.3476 116.0060 54.7227 41.9644 173.4736 *138 A 4.1825 8.2592 125.3712 52.9303 19.7392 177.5964 *139 T 4.1583 8.1692 112.4566 61.2869 70.5191 174.8741 *140 V 3.9936 8.0492 121.4418 61.2984 33.6311 175.6930 *141 D 4.5136 8.3592 121.4975 53.6872 41.6327 176.0239 *142 I 4.0436 8.0192 119.8166 60.6273 37.4536 175.7800 *143 H 4.6036 8.4392 119.8532 54.4826 29.7824 172.0159 *144 P 4.2936 0.0000 0.0000 62.5280 32.5750 177.1765 *145 R 4.2136 8.2492 119.4829 56.9414 31.2947 176.0964 *146 T 4.2236 8.1692 112.9677 61.3324 70.4426 174.5435 *147 S 4.3713 8.2759 118.3268 57.8426 64.2955 173.8616 *148 G 3.7995 8.3492 112.1831 46.0697 0.0000 174.3094 *149 N 4.5219 8.4192 119.5906 52.7820 39.6037 174.5758 *150 N 4.6136 8.4192 118.1425 52.7813 39.6777 175.2720 *151 V 3.9936 8.0492 118.2612 61.2292 33.6988 175.9724 *152 F 4.4936 8.3192 120.9506 57.1574 39.8243 175.8721 *153 V 4.0213 7.9959 118.3390 60.5276 33.4049 175.5616 *154 G 3.7995 8.3492 111.6793 46.0690 0.0000 174.9720 *155 V 3.9019 8.0492 119.7093 61.2579 33.6247 175.9904 *156 I 4.0436 8.0192 120.4925 60.5017 37.2938 176.5662 *157 C 4.5836 8.4492 119.9028 55.5148 41.7925 174.4435 *158 S 4.3436 8.3292 118.8883 58.6301 63.8562 174.4435 *159 S 4.3208 8.2276 116.8612 57.8380 64.0132 173.4736 *160 A 4.1825 8.2592 126.0288 52.5508 19.8962 177.6101 *161 K 4.1283 8.3092 121.6788 54.7938 33.7625 176.4015 *162 W 4.5336 8.2692 122.3451 56.9540 30.1857 175.8964 *163 T 4.2236 8.1692 113.4658 61.3324 69.8843 174.5435 *164 S 4.3713 8.2759 118.3268 57.8426 64.2955 173.8616 *165 G 3.7995 8.3492 112.1831 46.0593 0.0000 174.7765 *166 R 4.1219 8.2492 120.8738 56.6979 31.4012 176.3385 *167 V 3.9936 8.0492 117.9578 61.2579 33.6039 176.0239 *168 I 4.0713 7.9659 118.1866 59.6266 37.2938 175.6616 *169 G 3.7995 8.3492 112.2156 46.3124 0.0000 174.6964 *170 T 4.1319 8.1692 114.7191 61.2752 70.4635 174.3904 *171 I 4.0208 7.9176 119.3983 59.6220 37.4766 175.2736 *172 A 4.1825 8.2592 126.0613 52.9303 19.9836 177.5964 *173 T 4.1583 8.1692 112.4566 61.5303 70.5191 174.5985 *174 T 4.2236 8.1692 116.4517 61.3173 70.4698 174.3786 *175 Q 4.2136 8.3392 122.6522 55.4907 30.1198 176.0721 *176 V 3.9936 8.0492 117.9881 61.2579 33.6451 176.0239 *177 I 4.0436 8.0192 120.4925 60.6273 37.2938 175.7800 *178 H 4.6036 8.4392 119.8532 54.9862 29.7824 173.6087 *179 E 4.2236 8.4392 118.3060 56.5471 31.5344 175.8690 *180 Y 4.4236 8.1392 120.1080 57.3067 38.9144 175.5786 *181 Q 4.2136 8.3392 121.0581 55.4907 30.2021 176.0721 *182 V 3.9936 8.0492 117.9881 61.1725 33.6451 175.9508 *183 L 4.2136 8.1792 122.7094 54.7816 42.7340 177.2786 *184 Q 4.2136 8.3392 119.8976 54.9547 30.0332 173.9159 *185 P 4.2936 0.0000 0.0000 62.4406 32.7821 176.9508 *186 L 4.2136 8.1792 121.1765 54.6150 42.8039 177.4101 *187 K 4.1936 8.3092 122.9193 54.8922 32.3453 175.4053 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 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 Y 8.11 4.24 0.00 2.15 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 *3 Q 8.51 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 *4 N 8.42 4.61 0.00 2.48 2.66 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 *5 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 *6 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 *7 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 *8 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 *9 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 *10 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 *11 T 8.07 4.20 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 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 *13 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 *14 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 *15 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 *16 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 *17 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 *18 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 *19 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 *20 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 *21 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 *22 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 *23 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 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 *25 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 *26 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 *27 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 *28 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 *29 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 *30 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 *31 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 *32 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *33 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 *34 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 *35 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 *36 I 8.02 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *37 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 *38 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 *39 G 8.35 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 *114 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 *115 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 *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 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 *118 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 *119 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 *120 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 *121 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 *122 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 *123 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 *124 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 *125 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 *126 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 *127 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 *128 S 8.28 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 *129 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 *130 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 *131 V 8.05 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 *132 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 *133 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 *134 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 *135 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 *136 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 *137 C 8.35 4.56 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 *138 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 *139 T 8.17 4.16 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 *140 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 *141 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 *142 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 *143 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 *144 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 *145 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *146 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 *147 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 *148 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 *149 N 8.42 4.52 0.00 2.50 2.64 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 *150 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 *151 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 *152 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 *153 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 *154 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 V 8.05 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 *156 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 *157 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 *158 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 *159 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 *160 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 *161 K 8.31 4.13 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 *162 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 *163 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 *164 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 *165 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 *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 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 *168 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 *169 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 *170 T 8.17 4.13 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 *171 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 *172 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 *173 T 8.17 4.16 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 *174 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 *175 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 *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 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 *178 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 *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 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 *181 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 *182 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 *183 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 *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 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 *186 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 *187 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 * Residues marked with a * may have inaccurate shift predictions.