NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 53.7799 33.5435 175.8530 *2 P 4.1147 0.0000 0.0000 61.1446 32.7695 174.4957 *3 P 4.2936 0.0000 0.0000 62.7340 33.5862 176.5352 *4 M 4.3536 8.2992 119.2033 54.9078 33.2644 175.9508 *5 L 4.2136 8.1792 121.6490 54.7966 43.0668 177.4435 *6 S 4.3713 8.2759 115.5722 57.8426 64.2089 173.8616 *7 G 3.7995 8.3492 112.1831 45.9719 0.0000 174.5508 *8 L 4.1219 8.1792 122.5674 54.6540 42.9104 177.2173 *9 L 4.1908 8.0776 118.8606 54.0045 42.8302 176.4736 *10 A 4.1825 8.2592 124.3609 52.6772 20.0919 177.6765 *11 R 4.1483 8.2492 118.6113 56.6009 31.4568 176.0529 *12 L 4.2136 8.1792 120.8159 54.7511 42.8896 177.6721 *13 V 3.9936 8.0492 118.6872 61.1335 33.5446 176.1101 *14 K 4.1936 8.3092 124.0833 54.9638 33.5305 176.2508 *15 L 4.2136 8.1792 121.7820 54.6540 42.8118 177.2508 *16 L 4.2136 8.1792 121.5453 54.6540 42.8302 177.2508 *17 L 4.2413 8.1259 119.2395 54.0091 42.8302 176.8616 *18 G 3.7995 8.3492 110.5152 46.0593 0.0000 174.7765 *19 R 4.1219 8.2492 120.8738 56.9566 31.4012 175.6464 *20 H 4.6313 8.3859 115.1176 54.2765 29.9501 173.3616 *21 G 3.7995 8.3492 111.2889 46.1145 0.0000 174.7435 *22 S 4.2291 8.2276 116.2154 57.8380 64.2891 173.4400 *23 A 4.1825 8.2592 126.0288 52.5898 19.8962 177.4508 *24 L 4.1483 8.1792 120.3049 55.0098 42.9660 177.0821 *25 H 4.6036 8.4392 118.1529 54.7515 29.8907 173.7994 *26 W 4.5108 8.1676 120.1975 55.9639 30.0975 174.9736 *27 A 4.1597 8.1576 121.4450 51.9403 19.5929 176.6736 *28 A 4.0943 8.1576 120.4357 51.9403 20.2277 176.7757 *29 A 4.1449 8.2059 120.8146 51.9449 20.2277 177.1637 *30 G 3.7113 8.2476 106.5900 45.3224 0.0000 173.8757 *31 A 4.0680 8.1576 122.6983 51.9403 20.1721 176.6400 *32 A 4.1172 8.2592 123.1204 52.9303 20.2277 177.6985 *33 T 4.1583 8.1692 112.4566 61.2869 70.5191 174.8741 *34 V 3.9936 8.0492 121.4418 61.1725 33.6311 175.9508 *35 L 4.2136 8.1792 122.7094 54.6540 42.7340 177.2508 *36 L 4.2136 8.1792 121.5453 54.7511 42.8302 177.6721 *37 V 3.9936 8.0492 118.6872 61.2579 33.5446 176.0239 *38 I 4.0436 8.0192 120.4925 60.3686 37.2938 176.4720 *39 V 3.9936 8.0492 120.3876 61.1725 33.4362 175.9508 *40 L 4.2136 8.1792 122.7094 54.6540 42.7340 177.2508 *41 L 4.1908 8.0776 118.8606 54.0045 42.8302 176.4736 *42 A 4.2102 8.2059 122.0551 51.9449 20.0919 177.0616 *43 G 3.7341 8.3492 109.2747 46.1145 0.0000 174.8456 *44 S 4.2519 8.3292 118.9001 58.7373 64.2891 173.8354 *45 Y 4.4236 8.1392 121.5993 57.1792 38.5932 175.5508 *46 L 4.1908 8.0776 120.0211 54.0045 42.9991 176.4736 *47 A 4.1825 8.2592 124.3609 52.6869 20.0919 177.8721 *48 V 3.9283 8.0492 117.4467 61.1725 33.6804 176.0529 *49 L 4.1908 8.0776 120.0247 54.0045 42.7340 176.4736 *50 A 4.1825 8.2592 124.3609 52.6545 20.0919 177.3087 *51 E 4.1583 8.4392 116.2918 56.3847 31.7768 176.5786 *52 R 4.2413 8.1959 117.7224 55.9559 31.4465 175.5616 *53 G 3.7766 8.2476 107.1011 45.3224 0.0000 173.7736 *54 A 4.0908 8.2592 125.3830 52.1509 20.1721 175.6824 *55 P 4.2560 0.0000 0.0000 61.7956 32.8174 176.6637 *56 G 3.7766 8.2476 107.4617 45.3224 0.0000 173.7736 *57 A 4.0908 8.2592 125.3830 52.7173 20.1721 177.4450 *58 Q 4.1483 8.3392 118.6571 55.3936 30.1690 175.7529 *59 L 4.2136 8.1792 120.8462 54.7394 42.9307 177.3239 *60 I 4.0436 8.0192 119.3284 60.6121 37.3901 176.1964 *61 T 4.2236 8.1692 115.3974 61.4396 70.2750 173.9690 *62 Y 4.4236 8.1392 122.6861 56.7403 38.8754 173.8159 *63 P 4.2708 0.0000 0.0000 61.7911 32.8504 176.1736 *64 A 4.1597 8.1576 121.3074 51.9403 20.0656 176.6736 *65 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *66 L 4.1483 8.1792 120.3049 54.4841 42.9660 177.4015 *67 W 4.5336 8.2692 122.1085 56.4435 30.2042 175.7994 *68 W 4.5336 8.2692 121.8772 56.7560 29.7051 175.9435 *69 S 4.3436 8.3292 117.6468 58.5846 63.7099 174.6721 *70 V 3.9936 8.0492 120.3550 61.2372 33.3488 175.8087 *71 E 4.2236 8.4392 118.6964 56.6378 31.5448 176.3964 *72 T 4.2008 8.0676 111.1889 60.5403 70.5088 173.5736 *73 A 4.1825 8.2592 127.1155 52.9303 20.1785 177.5964 *74 T 4.1583 8.1692 112.4566 61.5303 70.5191 174.5985 *75 T 4.2236 8.1692 116.4517 61.2869 70.4698 174.7720 *76 V 4.0213 7.9959 119.1359 60.5276 33.6311 175.5616 *77 G 3.7995 8.3492 111.6793 46.2217 0.0000 174.1690 *78 Y 4.3596 8.0859 118.6477 56.5343 38.8691 175.1281 *79 G 3.7995 8.3492 111.6757 46.0978 0.0000 174.2930 *80 D 4.4219 8.3592 121.3555 53.6018 41.8091 175.9173 *81 L 4.2136 8.1792 122.0336 54.9039 42.8938 176.8690 *82 Y 4.4236 8.1392 119.9315 56.7403 38.7889 173.8159 *83 P 4.2936 0.0000 0.0000 62.5377 32.8504 177.3721 *84 V 3.9936 8.0492 118.3184 61.5131 33.5182 176.0964 *85 T 4.2236 8.1692 114.8611 61.1898 70.2871 174.3508 *86 L 4.2136 8.1792 124.2999 54.4841 42.9168 177.2994 *87 W 4.5613 8.2159 119.8026 55.9685 30.2042 175.3616 *88 G 3.7995 8.3492 110.2840 46.0593 0.0000 174.7765 *89 R 4.1219 8.2492 120.8738 56.8310 31.4012 175.7194 *90 C 4.4236 8.3392 117.6730 58.2693 29.8835 174.6721 *91 V 3.9708 7.9476 117.0127 60.5230 33.1918 175.1736 *92 A 4.1825 8.2592 125.5250 52.6869 19.9957 177.8721 *93 V 3.9283 8.0492 117.4467 61.2696 33.6804 176.4742 *94 V 3.9936 8.0492 119.8512 61.2696 33.4484 176.3721 *95 V 3.9936 8.0492 119.8512 61.4660 33.4484 175.8705 *96 M 4.3536 8.2992 120.7362 55.0049 33.1945 176.3721 *97 V 3.9708 7.9476 116.1061 60.5230 33.7811 175.1736 *98 A 4.2102 8.2059 123.2191 51.9449 19.9957 177.0616 *99 G 3.7341 8.3492 109.2747 46.0573 0.0000 174.7260 *100 I 3.9519 8.0192 120.3505 60.6121 37.4702 176.1628 *101 T 4.2236 8.1692 115.3974 61.3324 70.2750 174.5435 *102 S 4.3436 8.3292 120.6326 58.5442 64.2955 174.2724 *103 F 4.5213 8.2659 119.1485 56.4154 39.7248 175.0616 *104 G 3.7995 8.3492 112.4729 45.9719 0.0000 174.5508 *105 L 4.1219 8.1792 122.5674 54.7511 42.9104 177.6385 *106 V 3.9936 8.0492 118.6872 61.5131 33.5446 176.0964 *107 T 4.2008 8.0676 112.1764 60.5403 70.2871 173.5736 *108 A 4.1597 8.1576 124.4308 51.9403 20.1785 176.6736 *109 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *110 L 4.1254 8.0776 117.6202 54.0045 42.9660 176.5757 *111 A 4.1825 8.2592 124.3609 52.9303 20.0919 177.5964 *112 T 4.1583 8.1692 112.4566 61.0198 70.5191 174.5015 *113 W 4.5336 8.2692 124.8630 56.6702 30.2907 175.7724 *114 F 4.4936 8.3192 119.5553 57.1574 39.4215 175.8721 *115 V 4.0213 7.9959 118.3390 60.5276 33.4049 175.5616 *116 G 3.7995 8.3492 111.6793 46.0593 0.0000 174.7765 *117 R 4.1219 8.2492 120.8738 56.6656 31.4012 175.7751 *118 E 4.2236 8.4392 116.8029 56.4248 31.7004 176.2786 *119 Q 4.2136 8.3392 120.0741 55.4583 30.1587 175.5087 *120 E 4.2236 8.4392 116.8332 56.3847 31.7416 176.4765 *121 R 4.2136 8.2492 120.0283 56.6883 31.4465 176.1765 *122 R 4.2413 8.1959 116.8165 55.9559 31.3804 175.5616 *123 G 3.7995 8.3492 109.7858 46.3276 0.0000 174.2800 *124 H 4.5119 8.4392 119.1749 54.9781 29.9709 173.7388 *125 F 4.4936 8.3192 120.5602 57.1574 39.8139 175.8721 *126 V 3.9936 8.0492 120.6449 61.2599 33.4049 176.1765 *127 R 4.2136 8.2492 121.0158 56.9566 31.2248 175.6800 *128 H 4.6036 8.4392 117.4235 55.0640 29.9501 173.9435 *129 S 4.3436 8.3292 118.6517 58.5522 64.1023 174.1087 *130 E 4.2236 8.4392 119.2002 56.2583 31.4453 176.4101 *131 K 4.1708 8.2076 120.4111 54.3143 33.7522 175.4736 *132 A 4.1597 8.1576 121.9129 51.9403 20.0735 176.6736 *133 A 4.1172 8.2592 123.1204 52.6545 20.2277 177.4108 *134 E 4.1583 8.4392 116.2918 56.3620 31.7768 176.2108 *135 E 4.2008 8.3376 115.0242 55.6478 31.7665 175.4736 *136 A 4.1825 8.2592 124.5374 52.8396 20.2174 177.0690 *137 Y 4.3583 8.1392 118.6910 57.5197 38.9247 175.7985 *138 T 4.2236 8.1692 114.8575 61.2772 70.5521 174.5765 *139 R 4.2136 8.2492 122.6063 56.9414 31.4076 176.0964 *140 T 4.2236 8.1692 112.9677 61.5303 70.4426 174.4964 *141 T 4.2236 8.1692 116.4517 61.2772 70.4698 174.5765 *142 R 4.1908 8.1476 119.9216 55.9513 31.4076 175.1736 *143 A 4.1825 8.2592 123.6315 52.5898 20.1513 177.4508 *144 L 4.1483 8.1792 120.3049 55.0098 42.9660 177.0821 *145 H 4.6036 8.4392 118.1529 54.9862 29.8907 173.6087 *146 E 4.2236 8.4392 118.3060 56.3847 31.5344 176.4765 *147 R 4.2136 8.2492 120.0283 56.6576 31.4465 175.9724 *148 F 4.4936 8.3192 119.0571 57.1862 39.9799 175.1930 *149 D 4.5136 8.3592 122.2911 53.6893 41.5893 176.1765 *150 R 4.2136 8.2492 120.3400 56.6009 31.3846 175.9508 *151 L 4.2136 8.1792 120.8159 54.7188 42.8896 177.1087 *152 E 4.2236 8.4392 117.5323 56.3847 31.6411 176.4765 *153 R 4.2136 8.2492 120.0283 56.8943 31.4465 175.8705 *154 M 4.3536 8.2992 118.8427 54.9078 33.3500 175.9508 *155 L 4.2136 8.1792 121.6490 54.7799 43.0668 176.9930 *156 D 4.5136 8.3592 120.3334 53.7277 41.7289 175.6930 *157 D 4.5136 8.3592 120.8217 53.6996 41.7925 175.7094 *158 N 4.6136 8.4192 119.0567 52.7716 39.5871 175.0765 *159 R 4.2136 8.2492 119.4258 56.6883 31.4753 176.1765 *160 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 P 0.00 4.11 0.00 1.91 1.89 0.00 3.62 0.00 0.00 3.68 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 *3 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 *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 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 *6 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 *7 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 *8 L 8.18 4.12 0.00 1.42 1.50 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 *9 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 *10 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 *11 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 *12 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 *13 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 *14 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 *15 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 *16 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 *17 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 *18 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 R 8.25 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 *20 H 8.39 4.63 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *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 S 8.23 4.23 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 *23 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 *24 L 8.18 4.15 0.00 1.42 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *25 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 *26 W 8.17 4.51 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 *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 8.16 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 A 8.21 4.14 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 *30 G 8.25 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 *31 A 8.16 4.07 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 *32 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 *33 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 *34 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 *35 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 *36 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 *37 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 *38 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 *39 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 *40 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 *41 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 *42 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 *43 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 *44 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 *45 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 *46 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 *47 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 *48 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 *49 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 *50 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 *51 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 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0.00 0.00 0.00 0.00 0.00 0.00 *126 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 *127 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 *128 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 *129 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 *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 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 *132 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 *133 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 *134 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 *135 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 *136 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 *137 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 *138 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 *139 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 *140 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 *141 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 *142 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 *143 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 *144 L 8.18 4.15 0.00 1.42 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *145 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 *146 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 *147 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 *148 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 *149 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 *150 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 *151 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 *152 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 *153 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 *154 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 *155 L 8.18 4.21 0.00 1.40 1.51 0.92 0.98 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 *156 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 *157 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 *158 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 *159 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 *160 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.