NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 T 4.3406 8.0327 110.9435 61.0288 70.4044 174.2546 33 L 3.7529 8.7783 124.2461 57.5396 41.9142 175.8835 34 E 4.0866 9.0107 120.1776 59.3440 30.0771 177.8354 35 D 4.3751 8.3616 119.0065 57.7000 40.9801 178.5618 36 D 4.4003 8.4028 119.4854 57.5162 40.7373 179.0181 37 L 4.1430 8.5133 119.8757 57.5154 41.5686 179.0929 38 N 4.4019 8.2621 117.0907 56.7603 38.9883 176.8539 39 A 4.0770 8.0556 122.1814 55.4435 18.3930 179.8172 40 T 3.6478 7.9284 114.3485 66.7743 68.4838 176.8543 41 N 4.5826 8.6798 118.8933 56.1528 38.5601 176.8051 42 E 3.9170 8.3703 120.8074 59.5915 29.7412 177.8395 43 Y 4.0054 8.0530 119.1153 61.3723 38.7241 177.9528 44 Y 4.3369 8.0432 117.0764 61.2915 38.1483 179.1984 45 R 4.0440 8.2724 118.7162 59.4793 30.0264 178.9288 46 E 3.9741 8.3131 117.2132 59.3293 29.5722 178.9386 47 R 4.1530 7.7037 114.9520 55.4764 30.4075 176.6394 48 G 3.9134 7.6954 106.3918 46.8660 0.0000 175.6794 49 I 4.0724 8.3216 121.5867 62.8935 37.8103 176.3208 50 A 4.7337 7.5743 118.0142 50.8805 22.2692 176.1686 51 V 4.2981 8.7666 121.2633 61.2890 32.7665 174.1034 52 I 5.2517 8.2407 126.9728 59.7101 40.7350 174.6591 53 H 5.0754 9.1464 122.6100 53.5848 33.1296 172.7306 54 K 3.8879 8.6611 122.8376 56.0140 32.7856 176.6283 55 K 4.1910 8.6846 127.5290 55.3264 32.7025 175.5396 56 P 4.3015 0.0000 0.0000 62.5482 31.9566 176.5002 57 T 4.0097 8.3208 119.5179 62.8197 69.2918 172.5475 58 P 4.5410 0.0000 0.0000 62.8714 32.8145 175.3446 59 V 4.7666 8.1560 121.4455 61.2332 34.7681 174.3053 60 Q 4.4012 9.3392 129.7986 54.9095 29.8584 174.5381 61 I 4.1369 8.3222 128.3687 61.3863 37.3070 176.0714 62 V 4.3286 8.4727 126.1389 63.6838 34.1850 176.0121 63 R 4.5991 7.6976 120.6444 54.9589 33.2030 173.9120 64 V 4.8912 8.5452 125.8128 61.1019 34.5530 173.8231 65 D 5.1298 9.1511 126.1328 52.6703 44.7626 174.4510 66 Y 4.4292 8.6197 120.7856 55.8992 39.9736 173.4588 67 P 4.7243 0.0000 0.0000 61.6635 34.1450 175.5728 68 K 4.1628 8.7919 116.4926 59.8512 32.2049 177.9797 69 R 4.3762 7.7672 113.2322 57.5202 32.7975 176.0258 70 S 4.3256 7.8001 110.0208 57.2701 63.6440 172.8236 71 A 4.1728 8.1741 122.9791 51.3621 18.7678 177.1327 72 A 3.7496 8.1547 121.5317 52.1422 19.2451 177.2635 73 V 4.2297 7.9900 121.4225 60.8648 34.4122 174.6175 74 I 4.4767 8.3833 129.3182 61.5268 36.9690 175.7276 75 T 4.3925 8.9416 117.9673 62.0534 70.3740 174.6052 76 E 4.5564 7.4992 122.6609 54.9593 33.0909 173.3983 77 A 4.6846 7.3330 125.1526 51.6248 22.0744 174.7989 78 Y 4.5322 8.4324 116.6916 55.8618 42.5924 174.9518 79 F 4.8851 8.5754 120.7583 57.5205 39.6374 175.7840 80 R 4.4243 8.5061 122.8821 55.1126 31.3039 176.4833 81 Q 3.9365 8.6248 122.7933 56.0431 29.5573 175.9933 82 A 4.1960 8.5298 128.9114 52.2314 19.0132 177.1303 83 S 4.6173 8.6015 116.1151 58.3930 63.9522 173.4465 84 T 4.4486 7.2575 110.2026 59.3974 71.6524 173.1257 85 T 4.8935 7.8845 111.3280 61.2700 69.5820 174.0049 86 D 4.3900 8.6017 120.6982 56.0220 42.3121 176.0617 87 Y 4.9536 7.8373 116.4287 55.9193 41.6129 174.6620 88 N 5.5273 8.3460 119.3401 50.7057 41.8895 173.6333 89 G 4.2190 7.0081 103.1965 45.7650 0.0000 171.1278 90 V 4.9974 7.8524 118.8650 60.0395 34.3519 174.1043 91 Y 5.0542 8.8141 123.0551 57.4630 41.6379 175.1083 92 R 3.4977 9.3474 126.2945 57.1380 27.7559 177.2551 93 G 4.0069 8.4936 103.8918 45.3075 0.0000 173.9479 94 K 4.6907 7.9806 119.7490 54.1371 34.5174 174.9162 95 Y 4.7192 8.6237 124.0386 58.0498 40.1232 174.5297 96 I 4.8972 8.0822 126.8965 59.5007 40.9494 174.0477 97 D 4.9739 8.7186 125.6483 52.6953 44.9942 173.8589 98 F 5.2655 8.5857 118.7313 56.6629 41.7394 172.2218 99 E 5.1994 8.9062 119.8103 54.3780 32.8777 174.1237 100 A 5.4434 8.8550 126.7630 50.2595 21.4390 175.5085 101 K 4.8613 9.2518 121.4562 54.6749 36.9327 175.3259 102 E 5.4222 8.8191 119.4612 55.1587 33.0056 174.6349 103 T 4.4761 8.9002 114.4512 60.7129 70.8765 174.4845 104 K 4.3195 8.5510 124.3418 56.7004 33.0011 176.9396 105 N 4.3356 7.6425 117.9339 54.1320 39.1058 174.5700 106 K 4.5137 8.6433 122.8556 56.9798 33.2544 176.8434 107 T 4.6483 7.6196 106.9948 61.1788 70.8178 173.2147 108 A 5.0165 8.0523 121.2511 51.2475 22.4955 175.3480 109 F 4.1929 9.1888 123.3191 55.6307 40.9634 173.7998 110 P 4.7545 0.0000 0.0000 62.8644 31.9306 177.5397 111 L 4.5944 9.3248 123.0453 56.6622 41.9983 179.0964 112 K 4.3005 8.1817 116.8707 59.0196 32.5059 177.7603 113 N 4.3516 8.0034 117.0974 55.1041 38.6393 174.9395 114 F 4.9646 8.2631 116.2495 55.7545 41.7979 174.9811 115 H 5.2505 8.5679 120.0865 53.4493 32.6414 175.2908 116 A 3.6993 8.8527 125.8123 56.2048 18.3251 180.1980 117 H 4.2173 8.2684 113.5143 58.9582 28.5150 178.0226 118 Q 4.0368 7.9157 119.0129 58.7918 28.7123 178.1737 119 I 3.6160 7.1140 119.9067 64.2148 37.3269 178.2259 120 R 4.3771 7.7720 120.2186 58.8488 29.7844 179.1836 121 H 3.8323 7.7811 113.8604 57.2060 29.4608 176.4098 *123 E 4.2656 8.1102 120.3375 56.1401 31.6218 178.2850 124 Q 4.0178 8.0184 117.6986 58.7054 28.6267 178.9364 125 V 3.4730 7.9809 119.6157 65.9538 31.6510 177.9869 126 V 3.5853 7.8875 117.2696 66.2974 31.0795 177.6962 127 A 4.0671 8.0296 118.6720 54.8089 18.1780 178.2410 128 H 4.6635 7.7871 112.1146 55.4778 29.0077 175.9484 129 G 3.9007 8.0062 109.1535 45.2439 0.0000 174.1101 130 G 4.1736 7.8237 106.3741 45.3680 0.0000 173.8051 131 I 4.2554 8.5448 122.0113 60.2048 38.7785 174.9037 132 C 5.6839 8.7035 126.6827 57.1331 35.2578 172.5755 133 F 5.3852 8.0075 119.1602 56.1532 41.5556 172.1534 134 A 5.2098 9.7111 120.5002 50.2722 22.1369 175.3254 135 I 4.7970 9.0413 122.8328 59.9102 39.1076 174.7704 136 L 4.9777 9.0719 127.9168 52.7054 44.7703 175.4726 137 R 4.9940 9.0563 124.4884 54.7255 32.9962 175.0377 138 F 5.0071 9.5688 126.9115 56.1936 37.4372 176.4158 139 S 4.2648 8.8479 121.8172 60.9233 63.2403 177.5456 140 L 4.1113 7.9962 120.0174 57.0088 41.5226 177.5525 141 L 4.2889 7.8111 115.8572 53.9914 42.5131 175.5977 142 N 4.1508 7.5404 115.8582 54.6384 37.8106 173.9961 143 E 4.6281 7.8540 115.9433 54.9810 34.2220 176.2728 144 T 5.1195 8.2632 120.5212 61.9515 71.8814 172.7063 145 Y 5.2021 9.1687 123.0417 56.0960 42.6211 173.9740 146 L 5.0531 9.1413 124.1849 53.4850 44.3298 174.8032 147 L 4.9769 9.0217 128.5540 52.8790 44.7026 174.9853 148 D 4.9722 9.1677 125.6773 54.9939 41.9843 177.1216 149 A 4.0509 9.1413 126.7263 55.3943 18.4627 180.1407 150 S 4.0988 8.4201 112.6934 62.4144 62.7290 176.8357 151 H 4.3932 8.0413 119.6280 58.3813 28.4063 177.5792 152 L 3.9877 7.9429 121.7144 58.1843 41.9925 178.7299 153 I 3.7455 8.4325 119.8872 64.4229 36.8352 178.2784 154 A 3.9950 7.7913 119.9021 54.9638 18.2509 179.5364 155 W 4.0525 8.3012 117.3968 59.6288 28.7933 178.6000 156 W 4.0947 8.7047 128.5181 60.7253 30.0184 177.7067 157 N 4.5947 8.5446 114.5661 55.4091 38.0464 176.5815 158 K 4.1159 7.6772 120.3102 57.8283 32.1205 178.3492 159 Q 3.9565 7.8323 117.7584 61.0168 28.7253 179.2163 160 E 2.9742 7.2947 111.0635 58.0748 32.7314 177.4469 161 A 4.1425 7.5609 126.0065 50.2750 16.8358 175.0292 162 G 3.7556 7.4200 111.4146 41.1614 0.0000 172.5438 163 G 3.8024 7.9213 107.7230 43.5470 0.0000 172.9458 164 R 4.1244 8.3701 117.5115 56.6249 30.7902 177.0715 165 K 4.6163 8.6316 119.0690 56.8474 33.1910 176.0337 166 S 5.0727 7.8246 113.5901 57.1325 66.5578 173.4072 167 I 3.4756 8.7022 122.4717 58.8666 37.7922 174.1721 168 P 4.4750 0.0000 0.0000 62.3896 31.9705 177.4548 169 K 3.8634 8.6924 122.1647 59.6565 31.7917 179.4590 170 Q 3.8627 7.8713 118.1245 58.6535 28.5769 177.7682 171 E 3.8031 7.6712 119.5656 59.5102 29.5691 179.1239 172 I 3.5358 7.2105 119.0904 64.0653 37.0305 178.1228 173 E 3.7751 7.8759 119.2009 59.3010 29.3897 179.3092 174 R 4.0370 8.0125 115.2526 58.7938 29.7407 177.0501 175 H 4.6639 8.3277 114.6796 55.4979 30.0007 174.1928 176 G 4.2118 7.6402 106.3493 44.6562 0.0000 172.2245 177 H 5.0215 8.9202 115.9873 53.6397 32.3479 173.6200 178 S 4.2304 9.0746 118.9725 58.5890 62.9825 173.0852 179 I 4.4502 8.3318 128.8027 58.8408 38.1826 173.7589 180 P 4.3291 0.0000 0.0000 62.8081 32.2246 175.5074 181 L 4.5344 8.2062 124.2619 52.7131 43.2032 177.0626 182 G 3.8561 7.9640 112.2843 46.3276 0.0000 173.4547 183 Y 4.6092 8.2467 121.5458 57.0184 41.9205 175.0195 184 Q 2.5200 8.5254 115.5672 56.5632 25.6024 172.1456 185 P 4.0576 0.0000 0.0000 61.1300 33.2909 177.6883 186 R 4.0293 8.3661 117.1601 58.0377 29.9456 176.9805 187 L 4.7462 7.5852 119.5263 52.5386 42.5598 177.4330 188 D 4.6413 8.1044 127.2572 53.2371 37.9812 175.9615 189 Y 4.3772 7.6319 122.3123 59.7621 38.6126 178.1497 190 I 3.2889 7.0699 121.8993 63.8683 36.8547 178.4531 191 S 4.0585 7.6780 114.6648 61.5044 62.8355 176.8389 192 V 3.5491 7.2475 121.7686 65.4321 31.1357 178.2223 193 V 3.7585 7.8747 118.2242 66.0757 31.1818 177.5296 194 D 4.6765 8.2479 117.8833 57.9219 40.7923 178.5443 195 N 4.4958 7.8112 115.2893 55.6739 38.5346 177.2335 196 V 3.6567 7.4347 118.6453 65.0315 32.0601 176.8544 197 Y 4.5237 7.9659 112.5456 57.6745 38.3746 175.8252 198 F 4.3919 7.9574 124.0476 57.5924 39.9381 174.7056 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 32 T 8.03 4.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 33 L 8.78 3.75 0.00 1.89 1.76 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.01 4.09 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 35 D 8.36 4.38 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.40 4.40 0.00 2.82 2.71 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 37 L 8.51 4.14 0.00 1.83 1.76 0.74 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.26 4.40 0.00 2.94 3.06 0.00 0.00 7.01 7.98 0.00 0.00 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 A 8.06 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.93 3.65 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 41 N 8.68 4.58 0.00 2.88 3.22 0.00 0.00 6.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.37 3.92 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 43 Y 8.05 4.01 0.00 3.11 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 44 Y 8.04 4.34 0.00 3.18 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.04 0.00 2.11 2.00 0.00 3.17 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 46 E 8.31 3.97 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 47 R 7.70 4.15 0.00 1.48 1.76 0.00 3.26 0.00 0.00 3.04 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.00 48 G 7.70 3.91 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 0.00 0.00 0.00 49 I 8.32 4.07 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.75 0.00 0.00 50 A 7.57 4.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 4.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 52 I 8.24 5.25 2.14 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 1.15 0.00 0.00 53 H 9.15 5.08 0.00 3.04 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.66 3.89 0.00 1.58 1.56 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.49 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.00 0.31 7.81 55 K 8.68 4.19 0.00 1.57 1.62 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.32 7.81 56 P 0.00 4.30 0.00 2.02 1.97 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 57 T 8.32 4.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 58 P 0.00 4.54 0.00 2.14 2.19 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.98 0.00 59 V 8.16 4.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 60 Q 9.34 4.40 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 61 I 8.32 4.14 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.89 0.00 0.00 62 V 8.47 4.33 2.24 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 0.83 0.00 0.00 1.16 0.00 0.00 63 R 7.70 4.60 0.00 1.92 1.76 0.00 3.23 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 64 V 8.55 4.89 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 0.69 0.00 0.00 0.91 0.00 0.00 65 D 9.15 5.13 0.00 2.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.62 4.43 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.72 0.00 2.14 2.08 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 68 K 8.79 4.16 0.00 1.75 1.92 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 69 R 7.77 4.38 0.00 1.74 1.91 0.00 3.38 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 70 S 7.80 4.33 0.00 3.82 3.79 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 0.00 0.00 0.00 71 A 8.17 4.17 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.15 3.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.99 4.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 74 I 8.38 4.48 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.88 0.00 0.00 75 T 8.94 4.39 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 76 E 7.50 4.56 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 77 A 7.33 4.68 0.99 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 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.43 4.53 0.00 2.82 2.80 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 79 F 8.58 4.89 0.00 3.02 2.99 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 0.00 0.00 0.00 0.00 80 R 8.51 4.42 0.00 1.79 1.89 0.00 3.19 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 81 Q 8.62 3.94 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 82 A 8.53 4.20 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.62 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.26 4.45 3.72 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 0.00 0.00 0.00 1.07 0.00 0.00 85 T 7.88 4.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 86 D 8.60 4.39 0.00 2.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.84 4.95 0.00 1.43 1.85 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 5.53 0.00 2.48 2.76 0.00 0.00 6.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.85 5.00 2.18 0.00 0.00 0.00 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 1.07 0.00 0.00 91 Y 8.81 5.05 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 9.35 3.50 0.00 1.22 1.54 0.00 2.52 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 93 G 8.49 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.98 4.69 0.00 2.14 1.81 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 95 Y 8.62 4.72 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.08 4.90 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 1.16 0.00 0.00 97 D 8.72 4.97 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.59 5.27 0.00 2.48 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.91 5.20 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 100 A 8.85 5.44 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.25 4.86 0.00 1.57 1.77 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.01 0.29 7.81 102 E 8.82 5.42 0.00 2.02 1.93 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 2.18 2.26 0.00 103 T 8.90 4.48 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 104 K 8.55 4.32 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.38 7.81 105 N 7.64 4.34 0.00 2.59 2.90 0.00 0.00 7.09 6.61 0.00 0.00 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 K 8.64 4.51 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 107 T 7.62 4.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 108 A 8.05 5.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.19 4.19 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.75 0.00 2.13 1.92 0.00 2.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 111 L 9.32 4.59 0.00 1.89 1.92 1.20 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.18 4.30 0.00 1.94 2.01 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 113 N 8.00 4.35 0.00 2.90 2.67 0.00 0.00 6.79 7.32 0.00 0.00 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 F 8.26 4.96 0.00 3.14 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.39 0.00 3.38 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.71 5.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.04 4.80 1.79 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.49 0.86 0.00 0.00 136 L 9.07 4.98 0.00 1.46 0.95 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.06 4.99 0.00 1.90 1.82 0.00 3.12 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 138 F 9.57 5.01 0.00 3.19 3.08 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 0.00 0.00 0.00 0.00 139 S 8.85 4.26 0.00 4.05 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.11 0.00 1.70 1.82 0.93 1.05 0.00 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0.00 0.00 0.00 157 N 8.54 4.59 0.00 3.04 2.96 0.00 0.00 7.03 7.16 0.00 0.00 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 K 7.68 4.12 0.00 2.05 1.80 0.00 1.30 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.24 1.32 7.81 159 Q 7.83 3.96 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.34 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 160 E 7.29 2.97 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 161 A 7.56 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 0.00 162 G 7.42 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 0.00 164 R 8.37 4.12 0.00 2.21 2.38 0.00 3.37 0.00 0.00 3.60 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 165 K 8.63 4.62 0.00 1.78 1.85 0.00 1.53 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.49 7.81 166 S 7.82 5.07 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 3.48 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.51 -0.07 0.00 0.00 168 P 0.00 4.47 0.00 2.07 1.94 0.00 2.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 169 K 8.69 3.86 0.00 1.64 1.60 0.00 0.78 0.00 0.00 1.31 0.00 0.00 2.61 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.08 0.77 7.81 170 Q 7.87 3.86 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 171 E 7.67 3.80 0.00 2.05 1.80 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 1.47 2.05 0.00 172 I 7.21 3.54 1.65 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.42 0.00 0.00 173 E 7.88 3.78 0.00 1.78 1.95 0.00 0.00 0.00 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 2.28 0.00 174 R 8.01 4.04 0.00 1.91 1.99 0.00 2.94 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.40 0.00 175 H 8.33 4.66 0.00 3.25 2.97 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 7.64 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.92 5.02 0.00 3.02 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 9.07 4.23 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 8.33 4.45 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.89 0.00 0.00 180 P 0.00 4.33 0.00 2.04 2.13 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 181 L 8.21 4.53 0.00 1.42 1.47 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 182 G 7.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.25 4.61 0.00 2.88 2.69 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 0.00 184 Q 8.53 2.52 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 185 P 0.00 4.06 0.00 1.74 1.35 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 186 R 8.37 4.03 0.00 1.89 1.94 0.00 3.77 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 187 L 7.59 4.75 0.00 1.63 1.56 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 188 D 8.10 4.64 0.00 2.70 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 0.00 189 Y 7.63 4.38 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.07 3.29 0.93 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.34 0.00 0.00 191 S 7.68 4.06 0.00 4.16 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.25 3.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 193 V 7.87 3.76 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.87 0.00 0.00 194 D 8.25 4.68 0.00 2.92 2.79 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 0.00 0.00 0.00 195 N 7.81 4.50 0.00 2.78 2.83 0.00 0.00 6.99 9.02 0.00 0.00 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 V 7.43 3.66 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.51 0.00 0.00 197 Y 7.97 4.52 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 7.96 4.39 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.