NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.4534 8.4645 119.5546 52.9982 41.9817 175.8530 *2 I 3.8647 7.9869 117.8114 59.5115 37.3915 171.0439 *3 V 3.9936 8.2158 120.1330 61.1725 34.3672 175.6155 *4 L 4.2136 8.1792 122.7094 54.9946 42.7340 177.3964 *5 T 4.2236 8.1692 113.6971 61.3173 70.3833 174.3786 *6 Q 4.2136 8.3392 122.6522 55.5362 30.1198 175.8435 *7 S 4.3436 8.3292 117.1789 58.0486 64.3094 172.5159 *8 P 4.2708 0.0000 0.0000 61.7911 32.4859 176.1736 *9 A 4.1825 8.2592 123.9921 52.7324 20.0656 177.6435 *10 S 4.2783 8.3292 116.6376 58.4875 64.3447 174.3529 *11 L 4.1908 8.0776 120.5285 54.0045 42.6345 176.4736 *12 A 4.1825 8.2592 124.3609 52.6869 20.0919 177.8721 *13 V 3.9283 8.0492 117.4467 61.3151 33.6804 176.2456 *14 S 4.3436 8.3292 119.0421 58.4875 64.1127 174.2508 *15 L 4.2413 8.1259 120.9074 54.0091 42.6345 176.8616 *16 G 3.7995 8.3492 110.5152 46.0994 0.0000 174.5786 *17 Q 4.1219 8.3392 120.9197 55.4810 30.1134 175.8429 *18 R 4.1908 8.1476 116.4679 55.9513 31.4216 175.1736 *19 A 4.1825 8.2592 123.6315 52.9303 20.1513 177.5964 *20 T 4.1583 8.1692 112.4566 61.2752 70.5191 174.5260 *21 I 4.0436 8.0192 122.0830 60.4141 37.4766 176.2435 *22 S 4.3436 8.3292 119.5784 58.7177 64.1006 174.7663 *23 C 4.5836 8.4492 119.8703 55.4596 41.7051 174.4765 *24 R 4.1908 8.1476 118.1773 55.9513 30.9683 175.1736 *25 A 4.1825 8.2592 123.6315 52.7324 20.1513 177.6435 *26 S 4.2783 8.3292 116.6376 58.5522 64.3447 174.2108 *27 E 4.2236 8.4392 119.2002 56.4398 31.4453 176.4435 *28 S 4.3436 8.3292 118.0546 58.5846 64.3344 174.6721 *29 V 3.9936 8.0492 120.3550 61.2696 33.3488 176.3721 *30 V 3.9936 8.0492 119.8512 61.2599 33.4484 176.1765 *31 R 4.2136 8.2492 121.0158 56.8507 31.2248 175.5690 *32 Y 4.4513 8.0859 116.8962 56.5343 38.8482 175.1616 *33 G 3.7995 8.3492 111.6757 46.0697 0.0000 174.3094 *34 N 4.5219 8.4192 119.5906 52.8268 39.6037 175.0099 *35 S 4.3436 8.3292 117.4521 58.5442 64.3632 174.2724 *36 F 4.4936 8.3192 121.4544 57.3537 39.7248 175.3705 *37 M 4.3536 8.2992 121.5298 55.2635 33.1511 175.6800 *38 H 4.6036 8.4392 118.2565 54.7515 30.1272 173.7994 *39 W 4.5336 8.2692 122.8822 56.8633 30.0975 175.3690 *40 Y 4.4236 8.1392 119.7002 57.3067 38.2899 175.5786 *41 Q 4.2136 8.3392 121.0581 55.5211 30.2021 175.6786 *42 Q 4.2136 8.3392 119.1985 55.3546 30.1337 175.8101 *43 K 4.1936 8.3092 122.2201 54.5250 33.7272 174.5159 *44 P 4.3213 0.0000 0.0000 61.7956 32.6631 176.5616 *45 G 3.7995 8.3492 110.1464 46.0994 0.0000 174.5786 *46 Q 4.1219 8.3392 120.9197 54.9547 30.1134 173.8824 *47 P 4.2936 0.0000 0.0000 62.0017 32.7821 175.2159 *48 P 4.2936 0.0000 0.0000 62.4016 32.6553 177.1101 *49 K 4.1936 8.3092 122.5504 54.9638 33.6004 176.2508 *50 L 4.2136 8.1792 121.7820 54.6540 42.8118 177.2508 *51 L 4.2136 8.1792 121.5453 54.7394 42.8302 177.3239 *52 I 4.0436 8.0192 119.3284 60.5214 37.3901 175.6690 *53 Y 4.4236 8.1392 121.6318 57.2666 38.6806 175.7765 *54 R 4.1908 8.1476 118.3275 55.9513 31.4899 175.1736 *55 A 4.1825 8.2592 123.6315 52.7324 20.1513 177.6435 *56 S 4.2783 8.3292 116.6376 58.6301 64.3447 174.5456 *57 S 4.3436 8.3292 119.5459 58.4875 64.0132 174.2508 *58 L 4.2136 8.1792 123.2132 54.7188 42.6345 177.1087 *59 E 4.2236 8.4392 117.5323 56.4398 31.6411 176.4435 *60 S 4.3713 8.2759 115.7487 57.8426 64.3344 173.8616 *61 G 3.7995 8.3492 112.1831 46.0573 0.0000 174.6239 *62 I 3.9519 8.0192 120.3505 59.8327 37.4702 174.2824 *63 P 4.2936 0.0000 0.0000 62.7811 32.5733 177.0964 *64 T 4.2236 8.1692 113.3282 61.2772 70.3570 174.5765 *65 R 4.2136 8.2492 122.6063 56.6576 31.4076 175.9724 *66 F 4.4936 8.3192 119.0571 57.2029 39.9799 175.6435 *67 S 4.3713 8.2759 117.5299 57.8426 64.0693 173.8616 *68 G 3.7995 8.3492 112.1831 46.1145 0.0000 174.7435 *69 S 4.2796 8.2759 116.5943 57.8426 64.2891 173.8281 *70 G 3.7995 8.3492 112.1831 46.1145 0.0000 174.7435 *71 S 4.2519 8.3292 118.9001 58.5749 64.2891 174.4429 *72 R 4.2136 8.2492 121.5196 56.9414 31.1253 176.0964 *73 T 4.2236 8.1692 112.9677 61.3157 70.4426 174.0930 *74 D 4.5136 8.3592 123.0880 53.6585 41.8155 175.9724 *75 F 4.4936 8.3192 120.2747 57.4008 39.9841 175.5964 *76 T 4.2236 8.1692 115.6547 61.1898 70.2437 174.3508 *77 L 4.2136 8.1792 124.2999 54.9946 42.9168 177.3964 *78 T 4.2236 8.1692 113.6971 61.2752 70.3833 174.4239 *79 I 4.0436 8.0192 122.0830 60.3694 37.4766 175.8094 *80 N 4.6136 8.4192 120.2689 52.2453 39.4152 173.1159 *81 P 4.2936 0.0000 0.0000 62.5377 32.8358 177.3721 *82 V 3.9936 8.0492 118.3184 61.2372 33.5182 175.8087 *83 E 4.2008 8.3376 116.0117 55.6478 31.5448 175.4736 *84 A 4.1825 8.2592 124.5374 52.7157 20.2174 177.1930 *85 D 4.4483 8.3592 119.0930 53.7277 41.8647 175.7951 *86 D 4.5136 8.3592 120.8217 53.6989 41.7925 176.3721 *87 V 3.9708 7.9476 116.4907 60.5230 33.6081 175.1736 *88 A 4.1825 8.2592 125.5250 52.9303 19.9957 177.5964 *89 T 4.1583 8.1692 112.4566 61.4396 70.5191 174.0711 *90 Y 4.4236 8.1392 122.6861 57.4290 38.8754 175.1690 *91 Y 4.4236 8.1392 121.0919 57.4094 38.9577 176.0662 *92 C 4.5836 8.4492 119.3629 55.4997 42.0696 174.2786 *93 Q 4.2136 8.3392 120.9079 55.5211 29.6805 175.6786 *94 Q 4.2136 8.3392 119.1985 55.7341 30.1337 175.7964 *95 T 4.2236 8.1692 112.9979 61.2876 70.4838 174.1094 *96 N 4.6136 8.4192 121.3231 52.7813 39.6100 175.2720 *97 V 3.9936 8.0492 118.2612 61.2984 33.6988 175.6930 *98 D 4.5136 8.3592 121.4975 53.1630 41.6327 174.2159 *99 P 4.2936 0.0000 0.0000 62.2706 32.7452 176.9994 *100 W 4.5108 8.1676 119.0549 55.9639 30.1778 174.9736 *101 A 4.1825 8.2592 124.1297 52.6465 19.5929 177.4724 *102 F 4.4560 8.2659 116.2402 56.4154 40.0563 175.1637 *103 G 3.8272 8.2959 110.1670 45.3270 0.0000 174.1616 *104 G 3.7355 8.2959 109.2314 45.3270 0.0000 174.1281 *105 G 3.7078 8.3492 111.5373 46.3124 0.0000 174.6628 *106 T 4.1319 8.1692 114.7191 61.1508 70.4635 174.4766 *107 K 4.1936 8.3092 125.6738 54.9638 33.7132 176.2508 *108 L 4.2136 8.1792 121.7820 54.7188 42.8118 177.1087 *109 E 4.2236 8.4392 117.5323 56.3827 31.6411 176.3239 *110 I 4.0436 8.0192 119.5050 60.2325 37.5155 176.2101 *111 K 4.1936 8.3092 124.6196 55.0512 33.5184 176.4765 *112 R 4.1908 8.1476 117.4037 55.9513 31.3026 175.1736 *113 A 4.1825 8.2592 123.6315 52.7157 20.1513 177.1930 *114 D 4.4254 8.2576 116.4083 52.9523 41.8647 175.2757 *115 A 4.1597 8.1576 122.1644 51.9403 20.1555 176.6736 *116 A 4.1172 8.2592 123.1204 52.1509 20.2277 175.8180 *117 P 4.2283 0.0000 0.0000 62.7811 32.8174 177.1985 *118 T 4.2236 8.1692 113.3282 61.2869 70.3570 174.7720 *119 V 3.9936 8.0492 121.4418 61.3151 33.6311 176.1435 *120 S 4.3436 8.3292 119.0421 58.5729 64.1127 174.3239 *121 I 4.0436 8.0192 120.9963 60.3283 37.1943 176.0724 *122 F 4.4936 8.3192 121.4869 56.6214 39.8122 173.7159 *123 P 4.2936 0.0000 0.0000 62.0017 32.5420 175.2159 *124 P 4.2936 0.0000 0.0000 62.5832 32.6553 177.1435 *125 S 4.3436 8.3292 117.5092 58.6301 64.1826 174.4435 *126 S 4.3436 8.3292 119.5459 58.5522 64.0132 174.1087 *127 E 4.2236 8.4392 119.2002 56.4248 31.4453 176.2786 *128 Q 4.2136 8.3392 120.0741 55.3936 30.1587 175.6508 *129 L 4.2136 8.1792 120.8462 54.9946 42.9307 177.3964 *130 T 4.2236 8.1692 113.6971 61.3324 70.3833 174.5435 *131 S 4.3713 8.2759 118.3268 57.8426 64.2955 173.8616 *132 G 3.8272 8.2959 109.8772 45.3270 0.0000 174.1616 *133 G 3.6849 8.2476 108.8526 45.3224 0.0000 173.7400 *134 A 4.0908 8.2592 125.3830 52.7324 20.1721 177.6099 *135 S 4.2783 8.3292 116.6376 58.5846 64.3447 174.7742 *136 V 3.9936 8.0492 120.3550 61.2696 33.3488 176.3721 *137 V 3.9936 8.0492 119.8512 61.4027 33.4484 176.4663 *138 C 4.5836 8.4492 119.3665 55.4289 41.8046 174.2724 *139 F 4.4936 8.3192 120.7968 57.0603 39.5678 175.4508 *140 L 4.2136 8.1792 123.5030 54.7518 42.6906 177.0094 *141 N 4.6136 8.4192 118.5685 52.7820 39.5235 174.6094 *142 N 4.6136 8.4192 118.1425 52.7409 39.6777 174.8724 *143 F 4.4936 8.3192 119.3605 57.3101 40.0748 175.0690 *144 Y 4.4236 8.1392 121.8891 56.7403 38.6493 173.8159 *145 P 4.2936 0.0000 0.0000 62.4016 32.8504 177.1101 *146 K 4.1936 8.3092 122.5504 55.0897 33.6004 175.9930 *147 D 4.5136 8.3592 120.5701 53.6872 41.7105 176.0239 *148 I 4.0436 8.0192 119.8166 60.3694 37.4536 175.8094 *149 N 4.6136 8.4192 120.2689 52.7813 39.4152 175.2720 *150 V 3.9936 8.0492 118.2612 61.1335 33.6988 176.1101 *151 K 4.1936 8.3092 124.0833 54.7938 33.5305 176.2994 *152 W 4.5336 8.2692 122.3451 56.5745 30.1857 175.9101 *153 K 4.1936 8.3092 122.6880 55.0492 33.1277 176.3239 *154 I 4.0436 8.0192 119.5651 60.3974 37.3716 175.7930 *155 D 4.5136 8.3592 122.0338 53.6893 41.6206 176.1765 *156 R 4.2136 8.2492 120.3400 56.7284 31.3846 175.9786 *157 Q 4.2136 8.3392 119.1682 55.4914 30.0926 175.4094 *158 N 4.6413 8.3659 115.5635 52.0393 39.6240 174.4616 *159 G 3.7995 8.3492 110.0892 46.0690 0.0000 174.9720 *160 V 3.9019 8.0492 119.7093 61.1725 33.6247 175.9173 *161 L 4.2136 8.1792 122.7094 54.7518 42.7340 177.0094 *162 N 4.6136 8.4192 118.5685 52.8268 39.5235 175.0435 *163 S 4.3436 8.3292 117.4521 58.3175 64.3632 174.2994 *164 W 4.5336 8.2692 123.7763 56.9540 30.0084 175.8964 *165 T 4.2236 8.1692 113.4658 61.3157 69.8843 174.0930 *166 D 4.5136 8.3592 123.0880 53.7294 41.8155 175.9786 *167 Q 4.2136 8.3392 120.3858 55.5195 30.0968 175.3930 *168 D 4.5136 8.3592 119.6343 53.7444 41.8294 176.1435 *169 S 4.3436 8.3292 118.3663 58.8280 64.2725 174.3964 *170 T 4.2236 8.1692 115.3649 61.4396 70.1876 173.9690 *171 Y 4.4236 8.1392 122.6861 57.3218 38.8754 175.7435 *172 S 4.3436 8.3292 119.0385 58.7809 64.3778 174.1705 *173 M 4.3536 8.2992 121.2400 55.0504 33.0950 176.1435 *174 S 4.3436 8.3292 117.9817 58.6301 64.4455 174.4435 *175 S 4.3436 8.3292 119.5459 58.8280 64.0132 174.3964 *176 T 4.2236 8.1692 115.3649 61.1898 70.1876 174.3508 *177 L 4.2136 8.1792 124.2999 54.9946 42.9168 177.3964 *178 T 4.2236 8.1692 113.6971 61.1898 70.3833 174.3508 *179 L 4.2136 8.1792 124.2999 54.9946 42.9168 177.3964 *180 T 4.2236 8.1692 113.6971 61.1508 70.3833 174.5101 *181 K 4.1936 8.3092 125.6738 55.0897 33.7132 175.9930 *182 D 4.5136 8.3592 120.5701 53.6665 41.7105 175.8087 *183 E 4.2236 8.4392 118.0205 56.5471 31.7046 175.8690 *184 Y 4.4236 8.1392 120.1080 57.2439 38.9144 175.4087 *185 E 4.2236 8.4392 118.6928 56.3847 31.8099 176.4765 *186 R 4.2136 8.2492 120.0283 56.9566 31.4465 175.6800 *187 H 4.6036 8.4392 117.4235 55.0192 29.9501 173.5094 *188 N 4.6136 8.4192 119.3422 52.8268 39.4169 175.0435 *189 S 4.3436 8.3292 117.4521 58.7373 64.3632 173.8690 *190 Y 4.4236 8.1392 121.5993 57.5197 38.5932 175.6964 *191 T 4.2236 8.1692 114.8575 61.4200 70.5521 174.8663 *192 C 4.5836 8.4492 120.9570 55.4369 41.9874 174.1087 *193 E 4.2008 8.3376 115.8579 55.6478 31.2883 175.4736 *194 A 4.1825 8.2592 124.5374 52.9303 20.2174 177.5964 *195 T 4.1583 8.1692 112.4566 61.3324 70.5191 174.6456 *196 S 4.3436 8.3292 120.6326 58.0486 64.2955 172.5159 *197 P 4.2936 0.0000 0.0000 62.5260 32.4859 177.0239 *198 I 4.0436 8.0192 118.9596 60.3686 37.3637 176.4720 *199 V 3.9936 8.0492 120.3876 61.1335 33.4362 176.1101 *200 K 4.1936 8.3092 124.0833 55.1064 33.5305 176.4435 *201 S 4.3436 8.3292 118.1147 58.5442 64.1905 174.2724 *202 F 4.4936 8.3192 121.4544 57.1581 39.7248 175.2094 *203 N 4.6136 8.4192 120.5262 52.7716 39.3839 175.0765 *204 R 4.2136 8.2492 119.4258 56.6987 31.4753 175.7094 *205 N 4.6136 8.4192 117.8391 52.7489 39.5828 174.7087 *206 E 4.2236 8.4392 117.1063 56.2257 30.5139 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 D 8.46 4.45 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 *2 I 7.99 3.86 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 *3 V 8.22 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 *4 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 *5 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 *6 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 *7 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 *8 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 *9 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 *10 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 *11 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 *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 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 *14 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 *15 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 *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 Q 8.34 4.12 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 *18 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 *19 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 *20 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 *21 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 *22 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 *23 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 *24 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 *25 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 *26 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 *27 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 *28 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 *29 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 *30 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 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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 *106 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 *107 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 *108 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 *109 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 *110 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 *111 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 *112 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 *113 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 *114 D 8.26 4.43 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 *115 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 *116 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 *117 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 *118 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 *119 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 *120 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 *121 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 *122 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 *123 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 *124 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 *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 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 *127 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 *128 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 *129 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 *130 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 *131 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 *132 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 *133 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 *134 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 *135 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 *136 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 *137 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 *138 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 *139 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 *140 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 *141 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 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 *143 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 *144 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 *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 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 *147 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 *148 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 *149 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 *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 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 *152 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 *153 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 *154 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 *155 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 *156 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 *157 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 *158 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 *159 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 *160 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 *161 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 *162 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 *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 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 *165 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 *166 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 *167 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 *168 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 *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 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 *171 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 *172 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 *173 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 *174 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 *175 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 *176 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 *177 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 *178 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 *179 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 *180 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 *181 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 *182 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 *183 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 *184 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 *185 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 *186 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 *187 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 *188 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 *189 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 *190 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 *191 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 *192 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 *193 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 *194 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 *195 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 *196 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 *197 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *198 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 *199 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 *200 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 *201 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 *202 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 *203 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 *204 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 *205 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 *206 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 * Residues marked with a * may have inaccurate shift predictions.