NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4087 8.0327 110.9603 61.2655 70.4503 173.9606 3 L 3.9258 8.3395 121.6217 57.7799 41.9779 175.5209 4 E 4.0119 8.9986 119.6937 59.1642 29.9321 178.6821 5 W 4.1614 8.0275 118.3712 59.3563 29.2474 178.1816 6 E 4.0569 8.3583 119.1180 59.4755 28.8737 178.7970 7 E 4.0180 8.0928 117.0881 59.5497 29.6494 178.9184 8 F 4.3150 8.0155 118.9099 60.8927 39.6760 176.4546 9 L 4.4379 8.2407 117.4044 55.7695 41.7760 178.2626 10 D 4.4782 7.9635 119.8102 57.2478 40.8535 177.3082 11 P 4.2471 0.0000 0.0000 66.2048 31.1900 177.9369 12 Y 4.0222 7.7310 115.9138 60.7120 37.9625 178.3125 13 I 3.7621 8.2931 121.2453 64.4609 37.2501 178.1852 14 Q 3.9909 8.6449 120.5551 59.1069 28.7732 178.3510 15 A 4.0836 8.0977 121.7866 55.0650 18.3917 179.5660 16 V 3.5620 7.8931 116.9653 66.1395 31.4972 178.1340 17 G 3.7998 7.8893 104.8752 48.2218 0.0000 175.4183 18 E 4.0419 8.3139 121.4123 58.9233 29.5147 179.5356 19 L 3.8665 8.1877 119.4847 57.4033 41.6173 179.4051 20 K 3.8465 8.2650 118.8614 59.7000 32.2040 179.2383 21 I 3.7133 7.5125 119.2014 64.4014 36.5751 178.6076 22 K 3.9766 8.3495 119.5672 59.6749 31.4453 179.4862 23 L 4.0727 8.5532 119.4293 57.7537 41.3966 179.6587 24 R 3.8729 8.2926 118.2531 59.1535 29.9517 179.0960 25 G 3.7262 8.0256 104.7085 46.8948 0.0000 175.9253 26 I 3.7432 7.4586 121.7564 64.4673 37.1884 178.0784 27 R 4.2563 7.4387 120.3045 59.0712 29.9686 178.6827 28 K 4.0560 7.9146 117.9711 59.6132 31.7529 179.3752 29 Q 4.0446 8.1210 118.4378 58.8428 28.5854 178.2613 30 Y 4.0354 7.9296 117.5460 61.0047 38.0028 178.3515 31 R 3.9981 8.1930 119.0687 59.2065 29.9861 179.0567 32 K 3.9708 8.0686 118.6969 59.1341 32.3132 177.0640 33 Q 4.4051 7.6803 114.7346 55.2953 29.1655 175.8740 34 N 4.1944 7.9066 112.6373 54.1318 36.2385 173.5730 35 K 4.7257 8.3509 116.1452 54.3248 37.0260 176.4691 36 H 4.1212 8.8582 120.8545 56.5441 30.2169 174.7806 37 S 3.7293 8.4721 122.1272 56.6712 62.5475 172.7988 38 P 4.0811 0.0000 0.0000 65.1914 31.2617 176.2205 39 I 4.2825 7.2299 119.1456 60.2132 38.2142 174.6310 40 E 4.4134 8.6434 124.9153 57.5446 30.4076 175.9277 41 F 4.9493 7.0755 109.6463 55.7726 40.6783 172.9818 42 V 4.7991 8.2841 120.1522 61.4844 34.4645 174.1458 43 T 4.8342 8.8041 116.1653 60.4715 72.8466 172.3167 44 G 4.4230 8.4463 107.0294 46.2850 0.0000 172.4897 45 R 4.7628 8.1810 115.4576 54.9990 33.2645 173.9706 46 V 4.5055 8.2260 120.2310 61.7471 32.6031 175.7293 47 K 3.8909 8.7831 127.5234 56.3806 32.6994 175.2432 48 P 4.2891 0.0000 0.0000 62.6250 32.4685 177.0686 49 I 3.2004 8.4789 124.2670 64.4246 36.6827 177.8217 50 E 3.8012 8.0695 117.5979 60.0050 28.8558 179.4067 51 S 4.2273 7.6932 114.7314 60.8006 63.0042 176.5648 52 I 3.8569 7.5681 122.0840 64.2655 36.7617 178.1459 53 K 3.9137 7.4422 117.3654 59.6865 32.0028 178.7692 54 E 4.2828 7.3326 117.0650 58.5713 30.3163 178.4634 55 K 4.1077 7.4134 119.9972 55.2458 30.6736 176.0313 *57 A 4.2389 8.1259 125.4909 52.0271 20.3568 177.4966 *68 H 4.6588 7.9130 114.0812 54.7482 31.5469 172.7968 69 D 4.9271 8.1250 115.9890 55.0439 39.5102 172.9685 70 L 4.6178 7.4517 119.0770 52.9873 42.6786 175.4179 71 Q 4.2690 8.6957 127.9559 57.5298 29.4361 176.0033 72 D 5.0055 7.8424 115.2702 53.0371 40.2471 176.4804 73 I 3.8038 8.1375 122.3440 64.9000 38.0426 175.5298 74 A 4.8182 8.2100 124.5517 50.6805 20.5412 176.1337 75 G 4.4217 8.8469 109.7749 44.4601 0.0000 171.6329 76 L 5.3352 9.0948 123.6272 52.6673 46.1481 175.5051 77 R 5.0847 9.3913 122.6258 54.8992 33.0115 174.6896 78 V 4.5554 8.7273 127.3617 61.0806 35.1595 174.3465 *80 V 4.2023 7.9486 112.1931 61.4562 32.6223 177.4310 81 Q 3.7029 8.7823 121.5964 58.2301 29.1706 176.8376 82 F 5.0169 8.0058 114.5198 54.7327 42.7501 176.1521 83 V 3.6358 8.6428 122.1278 66.5885 30.5125 178.1941 84 D 4.3506 8.2367 117.7673 57.3125 40.7243 178.1507 85 D 4.4565 8.0683 118.6349 56.4507 40.7284 178.7449 86 V 3.5188 7.8565 120.1132 65.7281 31.5392 178.0752 87 K 3.8496 7.4860 118.9615 59.5462 32.5248 178.8289 88 E 3.8937 7.9270 120.3688 59.1822 29.6145 178.8150 89 V 3.6076 7.6738 118.1508 65.8418 31.5917 178.1883 90 V 3.5900 7.7039 118.1111 66.0517 31.4306 177.7823 91 D 4.3521 8.1337 118.6791 57.3289 40.4144 178.7143 92 I 3.7601 7.4246 118.8672 64.4925 37.5128 178.1075 93 L 4.1707 8.0257 119.7206 58.1639 41.1980 179.2734 94 H 4.1660 8.1848 115.2730 58.7488 28.7795 177.3907 95 K 4.2203 7.7549 117.2401 56.7339 32.4268 177.5378 96 R 4.2143 7.2093 119.0205 55.9487 30.6433 176.3079 97 Q 4.3662 8.6172 121.8916 56.5290 29.7206 175.1925 98 D 4.6599 7.8473 115.9836 53.8619 40.1737 175.7335 *100 R 4.0901 7.8383 119.6676 56.9746 31.4959 174.1476 101 I 4.3568 8.4466 127.5555 61.6120 37.1159 175.7137 102 I 4.3248 8.8649 128.1993 62.6837 39.0524 176.4504 103 Q 4.6179 7.5807 117.5728 54.9623 33.0661 173.1131 104 E 5.2051 8.9277 122.6624 54.5964 33.1934 175.6148 105 R 3.9565 8.5523 122.1367 54.4164 33.6109 174.2881 106 D 4.1350 8.0324 125.0758 53.2305 40.7275 175.2343 107 Y 5.6270 7.9861 118.6037 57.4572 38.8167 177.3569 108 I 3.8115 7.9925 121.2913 64.5028 37.7723 177.6240 109 T 3.9126 8.1895 115.5100 65.9047 68.4848 174.1639 110 H 4.7671 7.7579 117.8177 53.1986 29.5007 173.4216 111 R 4.6856 8.1586 120.4196 55.5628 30.3584 176.9908 112 K 4.2184 8.6451 118.3600 55.4239 32.8986 178.4335 113 A 4.0666 8.4597 123.5425 55.2878 18.3323 179.5178 114 S 4.3133 8.0443 110.2883 59.9145 63.4598 175.4635 115 G 3.5508 7.7577 107.7778 45.3012 0.0000 173.7456 116 Y 3.9881 7.8295 121.9304 57.9155 39.2276 174.8408 117 R 5.2090 7.2078 124.7449 53.4035 33.5894 174.6250 118 S 4.5940 7.9142 114.5737 57.9282 66.0581 173.7784 119 Y 4.7598 9.1486 127.1704 56.3150 40.6887 173.8201 120 H 5.5199 8.8610 125.0339 54.1412 31.3480 174.1384 121 V 4.8676 9.2565 123.5386 59.9950 33.8441 174.6040 122 V 4.7119 9.1255 126.6636 61.4970 33.1587 175.0707 123 V 5.0747 8.7596 120.3018 59.5692 35.9344 174.5753 124 E 4.8230 8.8783 123.4340 56.2633 30.4856 175.6536 125 Y 4.8032 9.0667 124.2049 56.2162 42.5837 173.7392 126 T 5.0210 7.7215 122.2890 61.5498 71.3506 173.8621 127 V 4.3342 8.6252 125.1059 59.9067 34.4558 174.0960 128 D 5.1450 8.6446 124.0446 53.3230 42.1136 175.8516 129 T 4.6982 8.1846 112.9780 59.1656 71.7843 174.9056 130 I 3.8599 8.2806 114.4725 63.0382 37.6952 176.3577 131 N 4.6946 8.1634 118.1928 52.8627 38.6083 175.5887 132 G 3.9265 7.9768 104.5222 44.4877 0.0000 173.1862 133 A 4.4092 8.0042 120.3982 51.9907 19.3584 177.4377 134 K 4.4687 8.8533 119.7758 55.0731 36.3478 175.3866 135 T 5.0171 8.5721 122.0770 61.9004 70.1367 173.9654 136 I 4.6410 8.6880 119.2533 58.9570 41.5036 174.2193 137 L 5.1402 8.6060 121.6579 53.8591 43.2351 176.2427 138 A 4.9328 9.0717 122.8338 50.3516 23.2112 174.4470 139 E 4.8731 9.2131 122.3913 54.6394 32.0135 174.6192 140 I 4.7716 9.0108 128.5602 59.9018 39.5908 174.5660 141 Q 5.0860 9.6852 128.3900 54.5189 30.6110 174.7724 142 I 4.9679 9.2343 126.4137 59.9945 39.0695 175.2169 143 R 5.0160 8.5881 122.2139 55.0287 32.5542 174.9234 144 T 4.9807 8.2557 109.9818 60.5672 70.0096 174.5785 145 L 4.0990 8.5406 121.4789 58.1821 41.9886 180.2781 146 A 4.3372 7.5241 118.3875 53.0168 17.8338 178.4614 *148 N 4.7421 8.1902 119.9334 55.0372 40.7655 176.2981 149 F 4.2966 8.8761 120.3124 61.0849 39.3153 177.0222 150 W 3.2285 8.1187 127.1922 60.2419 30.5750 177.8778 151 A 4.0553 8.3092 120.2917 55.4113 17.8775 179.5553 152 T 3.8071 7.9659 114.2188 66.8571 68.5447 177.0312 153 I 3.5535 7.1194 121.2976 64.1456 37.1327 177.9020 154 E 3.5236 7.5310 120.4355 59.4882 29.2519 178.2656 155 H 4.0752 8.3736 118.3884 59.5099 29.8908 177.3874 156 S 4.1184 8.0087 116.7742 61.4991 62.4419 176.5833 157 L 4.0995 7.8209 120.5701 58.0965 41.6370 178.8188 158 N 3.9653 8.4541 116.2373 56.6902 38.2844 176.4717 159 Y 3.9440 7.8809 120.1760 60.8192 38.9343 178.0807 160 K 4.1563 8.2656 118.4630 56.1434 32.7302 176.7568 161 Y 4.1837 8.4000 118.2858 57.1921 37.9595 179.6538 162 Q 2.6600 8.6661 107.3671 56.5586 27.1134 173.5506 *164 D 4.2911 8.3323 124.6750 53.6881 42.1092 175.5476 165 F 4.0801 8.3209 122.0751 57.1084 39.7169 174.1162 166 P 4.4992 0.0000 0.0000 62.7546 33.0630 177.4954 167 D 4.3879 8.6093 119.4916 57.7169 40.9336 178.7653 168 E 3.9176 8.2010 119.1916 59.2122 29.5092 178.8354 169 I 3.6560 7.5421 119.4837 63.8396 37.3575 177.8618 170 K 3.9298 7.9889 120.5191 59.5096 31.9442 178.9725 171 K 4.0104 8.4127 119.0550 59.6159 32.0019 179.6208 172 R 3.9449 7.8772 117.8648 59.1686 30.0694 179.1292 173 L 4.2004 8.1610 119.0575 57.6152 41.5861 179.1560 174 E 4.1844 8.1991 120.7489 58.7891 29.6385 178.8627 175 I 3.7215 7.9987 120.1974 64.7457 37.1490 178.5626 176 T 4.0173 8.2092 110.2337 64.7934 68.5798 176.3291 177 A 3.4229 7.9430 123.3283 54.5477 18.2010 179.5301 178 R 3.7607 7.9539 117.2648 59.7162 30.2032 178.9333 179 I 3.7565 7.9615 119.3790 64.2326 37.1058 178.0797 180 A 4.1245 8.4154 122.0288 55.5341 18.0474 179.3078 181 H 4.0832 8.1701 116.2044 59.5909 29.9464 177.2613 182 Q 3.9500 8.0120 119.8013 59.2093 28.2673 179.4963 183 L 3.9648 7.7167 118.8992 57.8166 41.7746 178.7215 184 D 4.5396 7.7521 117.5377 57.4880 40.9978 178.5001 185 E 4.1432 8.3217 119.1418 59.3193 29.4017 180.5392 186 E 4.3028 8.3132 117.6323 56.4618 29.6030 178.6947 *188 G 3.9153 8.0587 107.5460 45.1896 0.0000 175.8391 189 E 3.9600 8.4397 120.5488 58.9427 29.3240 179.5973 190 I 3.6848 8.1238 120.2600 64.2410 37.3197 178.2685 191 R 3.7398 7.9325 118.9936 59.5123 29.8312 177.9439 192 D 4.2364 7.9449 118.3372 57.6883 40.8336 178.7734 193 D 4.6244 8.3616 119.0754 56.8496 40.4439 179.0663 194 I 3.6908 7.4209 120.4220 64.3887 37.4954 177.9974 195 Q 4.0297 7.8357 118.0631 59.1408 28.4963 178.0237 196 E 3.7637 8.5812 121.4591 58.8285 29.4137 178.2810 197 A 3.3883 7.2263 115.8113 52.5970 18.0818 177.5735 198 Q 4.1424 7.4770 116.8904 58.0954 31.9976 176.9331 199 A 4.0626 8.3120 120.3630 54.1772 18.4583 178.0759 200 L 4.5813 7.4096 113.4953 55.8778 42.3681 176.3189 201 F 4.4966 7.1273 118.4849 57.1217 37.6803 173.8969 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 2 T 8.03 4.41 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 3 L 8.34 3.93 0.00 1.83 1.75 1.03 0.75 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 4 E 9.00 4.01 0.00 2.04 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 2.37 2.41 0.00 5 W 8.03 4.16 0.00 3.61 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.06 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 7 E 8.09 4.02 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 8 F 8.02 4.31 0.00 2.88 2.98 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 0.00 0.00 0.00 9 L 8.24 4.44 0.00 2.01 1.83 1.14 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.96 4.48 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 1.85 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 12 Y 7.73 4.02 0.00 3.11 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 13 I 8.29 3.76 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.95 0.00 0.00 14 Q 8.64 3.99 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 15 A 8.10 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.89 3.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 17 G 7.89 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 18 E 8.31 4.04 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 2.39 2.60 0.00 19 L 8.19 3.87 0.00 1.57 1.54 0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.26 3.85 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 21 I 7.51 3.71 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.36 0.93 0.00 0.00 22 K 8.35 3.98 0.00 1.93 1.89 0.00 1.88 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.60 7.81 23 L 8.55 4.07 0.00 1.66 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.29 3.87 0.00 2.14 2.02 0.00 3.26 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 25 G 8.03 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 26 I 7.46 3.74 2.14 0.00 0.00 0.90 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 0.95 1.14 0.00 0.00 27 R 7.44 4.26 0.00 1.74 2.18 0.00 3.45 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 28 K 7.91 4.06 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.71 7.81 29 Q 8.12 4.04 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 30 Y 7.93 4.04 0.00 3.24 3.13 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 31 R 8.19 4.00 0.00 1.92 2.02 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 32 K 8.07 3.97 0.00 1.94 1.84 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 33 Q 7.68 4.41 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.24 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 34 N 7.91 4.19 0.00 2.82 2.82 0.00 0.00 6.61 6.95 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 35 K 8.35 4.73 0.00 1.97 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.64 7.81 36 H 8.86 4.12 0.00 3.07 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.47 3.73 0.00 3.88 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.09 2.10 0.00 2.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 39 I 7.23 4.28 1.83 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 0.49 0.88 0.00 0.00 40 E 8.64 4.41 0.00 1.91 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 41 F 7.08 4.95 0.00 3.15 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 42 V 8.28 4.80 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 0.90 0.00 0.00 0.93 0.00 0.00 43 T 8.80 4.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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8.70 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 72 D 7.84 5.01 0.00 2.77 2.78 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 0.00 0.00 0.00 73 I 8.14 3.80 1.29 0.00 0.00 0.53 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 0.52 0.27 0.00 0.00 74 A 8.21 4.82 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 75 G 8.85 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 0.00 0.00 0.00 0.00 76 L 9.09 5.34 0.00 1.56 1.49 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 R 9.39 5.08 0.00 1.97 1.71 0.00 3.28 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 78 V 8.73 4.56 2.04 0.00 0.00 0.00 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 0.91 0.00 0.00 *80 V 7.95 4.20 2.08 0.00 0.00 0.00 0.00 0.00 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8.16 4.69 0.00 2.73 2.84 0.00 0.00 7.21 7.76 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 0.00 132 G 7.98 3.93 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 0.00 0.00 0.00 133 A 8.00 4.41 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.85 4.47 0.00 1.62 1.52 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.36 7.81 135 T 8.57 5.02 4.20 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 1.19 0.00 0.00 136 I 8.69 4.64 1.35 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.65 0.05 0.00 0.00 137 L 8.61 5.14 0.00 1.67 1.74 1.03 0.78 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 0.00 138 A 9.07 4.93 1.19 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 0.00 0.00 0.00 139 E 9.21 4.87 0.00 2.22 1.82 0.00 0.00 0.00 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 2.27 0.00 140 I 9.01 4.77 1.91 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 1.20 0.56 0.93 0.00 0.00 141 Q 9.69 5.09 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 142 I 9.23 4.97 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.87 0.00 0.00 143 R 8.59 5.02 0.00 1.74 1.82 0.00 3.09 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 144 T 8.26 4.98 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 1.24 0.00 0.00 145 L 8.54 4.10 0.00 1.72 1.83 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.52 4.34 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.74 0.00 2.83 3.13 0.00 0.00 6.72 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.88 4.30 0.00 3.20 3.42 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 0.00 150 W 8.12 3.23 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.06 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.97 3.81 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 153 I 7.12 3.55 1.43 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.72 0.00 0.00 154 E 7.53 3.52 0.00 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.50 0.00 155 H 8.37 4.08 0.00 3.26 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.01 4.12 0.00 3.91 3.89 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 0.00 157 L 7.82 4.10 0.00 1.79 1.85 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.45 3.97 0.00 2.99 2.74 0.00 0.00 6.67 7.01 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 0.00 159 Y 7.88 3.94 0.00 2.83 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 0.00 160 K 8.27 4.16 0.00 1.93 2.18 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.53 7.81 161 Y 8.40 4.18 0.00 3.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 2.66 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.27 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 *164 D 8.33 4.29 0.00 2.69 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 0.00 165 F 8.32 4.08 0.00 2.99 2.70 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 0.00 0.00 0.00 166 P 0.00 4.50 0.00 2.13 2.01 0.00 3.41 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 167 D 8.61 4.39 0.00 2.73 2.73 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 0.00 168 E 8.20 3.92 0.00 1.99 1.92 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 2.36 2.34 0.00 169 I 7.54 3.66 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.41 0.13 0.00 0.00 170 K 7.99 3.93 0.00 2.09 1.97 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.66 7.81 171 K 8.41 4.01 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.63 7.81 172 R 7.88 3.94 0.00 1.95 1.95 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 173 L 8.16 4.20 0.00 1.89 1.99 0.37 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.20 4.18 0.00 2.21 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 2.28 2.18 0.00 175 I 8.00 3.72 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.94 0.00 0.00 176 T 8.21 4.02 4.49 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 1.34 0.00 0.00 177 A 7.94 3.42 0.22 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 0.00 178 R 7.95 3.76 0.00 1.95 2.11 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 179 I 7.96 3.76 1.94 0.00 0.00 0.90 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 0.91 0.95 0.00 0.00 180 A 8.42 4.12 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.17 4.08 0.00 3.23 3.48 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 8.01 3.95 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 183 L 7.72 3.96 0.00 1.87 1.71 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 184 D 7.75 4.54 0.00 2.79 2.73 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 0.00 185 E 8.32 4.14 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 186 E 8.31 4.30 0.00 2.06 1.91 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 2.31 2.38 0.00 *188 G 8.06 3.92 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 0.00 0.00 0.00 189 E 8.44 3.96 0.00 2.26 2.01 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 2.57 2.49 0.00 190 I 8.12 3.68 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.93 0.00 0.00 191 R 7.93 3.74 0.00 1.49 1.68 0.00 3.10 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.00 192 D 7.94 4.24 0.00 2.83 2.64 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 0.00 0.00 0.00 0.00 193 D 8.36 4.62 0.00 2.70 2.73 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 0.00 194 I 7.42 3.69 1.97 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 1.57 0.55 0.87 0.00 0.00 195 Q 7.84 4.03 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.26 0.00 196 E 8.58 3.76 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 197 A 7.23 3.39 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 0.00 198 Q 7.48 4.14 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 199 A 8.31 4.06 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 0.00 200 L 7.41 4.58 0.00 1.71 1.68 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 201 F 7.13 4.50 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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.