NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 K 4.3134 8.3144 119.9982 56.1240 34.6381 176.0112 23 D 4.6692 7.7592 117.2234 52.5335 43.5701 176.2527 24 S 4.1812 8.8332 115.6692 61.2264 63.8125 175.8007 25 L 4.0519 7.8960 122.1138 57.3149 41.2424 179.2272 26 R 3.9881 7.7756 119.1528 59.2081 30.0101 178.8572 27 V 3.6821 7.6993 118.6391 64.7441 31.5385 177.7514 28 E 3.9550 8.3549 120.0114 59.2654 29.3777 179.0757 29 S 4.1769 7.9484 115.1872 61.4042 62.7356 176.1022 30 Y 3.9644 7.9353 122.4015 60.4340 38.5088 177.8410 31 G 3.7168 8.6211 107.0646 48.3106 0.0000 175.7712 32 T 3.7523 8.1333 118.6091 66.4210 68.4391 176.8639 33 I 3.8476 7.6311 121.4867 64.0510 37.0625 178.0543 34 D 4.2216 8.1758 119.2349 57.3043 41.2809 177.6458 35 E 4.0242 9.0507 121.0645 59.5598 29.4758 178.6398 36 L 4.0827 8.5017 120.4946 58.1590 42.0787 178.4220 37 N 4.4681 8.3032 117.1459 56.4486 38.9209 177.2318 38 S 4.1357 8.2249 116.9135 61.5805 62.8958 176.6118 39 F 4.0111 8.3355 120.2162 60.3965 38.4826 177.8420 40 I 3.8556 7.8069 119.9677 64.2911 36.8646 178.6547 41 G 3.6118 8.0929 106.6847 47.6530 0.0000 175.5643 42 L 3.9385 7.7804 121.9653 57.7496 42.0786 178.9050 43 A 3.9610 8.1328 120.9412 55.1054 18.3459 179.3654 44 L 3.9784 8.3180 118.9586 58.2244 41.9158 179.0470 45 A 4.0497 7.9083 120.0407 55.0143 18.1379 178.8810 46 E 4.0453 8.1407 117.6260 58.9712 29.8078 178.6629 47 L 3.8385 8.3289 121.0966 58.1683 42.0256 179.1458 48 S 4.3514 8.4397 113.2726 61.2340 62.8716 176.3395 49 G 3.7454 7.6107 107.2959 45.7455 0.0000 173.3099 50 Q 4.7941 7.4906 119.7714 53.1723 31.2692 173.8524 51 P 4.5897 0.0000 0.0000 63.4161 32.2228 176.6092 52 G 3.7743 9.2090 107.9850 45.3903 0.0000 174.0816 53 F 5.0965 7.6025 118.1567 56.8288 40.0807 177.2225 54 E 4.0863 8.4403 123.6265 59.2922 29.1239 178.6504 55 D 4.4623 8.1330 118.9661 56.6089 39.6424 178.4711 56 L 4.2292 8.1286 120.6515 57.6441 41.8904 179.1914 57 T 3.9204 8.3036 115.5409 66.9817 68.2769 176.3297 58 A 4.2170 7.9927 122.4487 54.9033 18.5072 179.5615 59 E 4.0830 8.4229 117.0930 59.8436 29.7205 179.3269 60 L 4.2222 8.8339 119.3021 58.1364 41.7463 179.5673 61 L 4.0518 7.7027 117.4270 58.3385 41.6076 179.4393 62 T 3.8320 7.8528 112.7270 65.1734 67.1449 176.1905 63 I 4.0491 7.7882 123.1914 64.1048 37.3176 178.3467 64 Q 4.9856 8.2342 120.1275 58.7811 28.5166 178.7880 65 H 4.1680 8.2470 117.1144 59.0212 28.8197 177.7374 66 E 4.1011 8.5890 120.7759 59.4055 28.7034 179.4489 67 L 4.1180 8.6002 119.2619 57.3579 41.5628 179.2270 68 F 4.1110 8.1193 120.8270 61.0671 39.2668 177.0267 69 D 4.4761 8.0195 118.3734 57.2596 40.4088 178.1300 70 C 4.0231 7.9459 116.5966 62.8940 28.4888 176.1773 71 G 3.5523 7.5057 105.9816 47.7878 0.0000 175.8761 72 G 3.7116 7.5355 107.1868 47.5493 0.0000 175.3913 73 D 4.6668 8.5060 120.3393 56.0168 40.7563 177.6687 74 L 4.7938 7.4105 118.5672 53.8243 43.1208 176.7552 75 A 4.3693 8.0635 119.2043 53.3065 24.3094 176.9940 *83 Y 4.9243 7.7412 113.2598 58.0006 38.8831 174.7808 84 K 4.3534 9.1886 124.5037 57.5460 33.5820 177.3832 85 L 3.9905 7.6976 120.0749 54.9350 42.0354 176.0506 86 T 4.6606 8.0339 114.9377 59.6356 71.6540 174.6569 87 E 4.1712 8.4715 119.7472 58.1974 29.1666 178.8925 88 E 4.0943 7.8221 119.2824 59.3270 29.8469 178.4901 89 S 4.3065 7.8347 114.4982 61.3221 62.3578 176.8165 90 V 3.8556 7.8406 121.0106 66.0882 31.3373 178.1199 91 S 4.2297 7.9998 113.7736 60.8863 62.9242 176.2371 92 F 4.1898 7.9305 124.9092 61.3263 39.1357 176.9719 93 L 3.6442 7.9977 118.0557 57.7554 41.5449 178.6494 94 E 3.9181 7.7941 117.9988 60.0526 29.3933 179.5958 95 T 3.7753 7.6732 108.7031 65.1262 68.6831 176.4328 96 R 3.4659 7.4362 120.9030 58.7910 30.0246 178.7620 97 I 3.8157 8.3893 119.7871 64.6874 37.1583 177.9867 98 D 4.4265 8.1502 118.7145 57.4141 40.6739 178.8828 99 A 3.8635 8.0323 121.1548 55.6364 18.3721 179.3766 100 Y 4.3753 7.9112 115.1050 61.3775 37.6493 179.1141 101 T 3.8792 8.2823 116.1806 66.5851 68.6862 176.2108 102 A 4.1326 8.2279 121.5842 55.0395 18.5025 178.8818 103 E 3.9896 8.3652 116.7636 58.5937 30.1924 177.5270 104 A 4.1825 7.8881 120.9898 50.7570 19.0853 175.3469 105 P 4.2320 0.0000 0.0000 62.4636 31.6224 175.9104 106 E 3.8781 8.9910 122.8575 56.4333 29.6345 177.0019 107 L 4.2043 8.4733 124.5808 55.7744 41.2268 176.8783 108 K 4.5181 8.3715 119.6006 55.6235 32.9844 175.2324 109 K 4.3413 7.3883 118.1860 54.9837 35.0314 174.8159 110 F 4.7228 8.5992 121.4277 57.5539 39.7797 174.5777 111 I 5.0225 8.7766 116.5742 59.3160 39.9299 174.7309 112 L 4.8846 8.4723 123.6689 52.1626 44.1127 174.8985 113 P 3.7155 0.0000 0.0000 62.4166 31.8899 177.2922 114 G 4.0436 9.0985 108.8627 43.4419 0.0000 171.9297 115 G 4.4614 8.2556 108.1308 45.3196 0.0000 178.1720 116 S 4.4347 8.8145 122.3984 57.2372 65.1058 174.3288 117 K 3.9264 8.4502 121.2779 59.7487 31.6024 179.4644 118 C 4.0390 7.8919 116.3774 62.7337 28.0611 175.8148 119 A 3.9000 7.7546 121.8799 55.0469 17.8483 179.8975 120 S 4.0412 8.1962 113.8754 61.7604 62.8280 176.9577 121 L 4.0025 7.9639 121.6159 57.8364 41.3188 179.6190 122 L 3.7934 8.1373 119.0795 57.9052 41.5058 179.2707 123 H 4.2294 8.3942 116.5685 58.4725 28.6064 177.9407 124 I 3.5930 7.6405 121.6936 64.3022 36.9093 178.2025 125 A 3.7119 7.9544 121.7888 54.8400 17.9187 179.7040 126 R 3.9688 7.4327 117.2505 59.9814 30.1891 178.8687 127 T 3.8833 7.7040 109.0510 64.8998 68.5647 176.2886 128 I 3.7234 7.6809 122.5750 64.1741 37.1216 178.3162 129 T 3.9324 8.0216 116.9119 66.8296 68.3038 176.8523 130 R 4.0264 8.1855 119.7433 58.8764 29.8970 179.0358 131 R 3.9181 7.7426 118.5949 59.1317 30.0668 178.3406 132 A 4.0193 8.2289 120.8503 54.6619 17.9565 179.2231 133 E 3.8679 8.0967 118.0978 59.7080 29.8003 179.2877 134 R 3.9469 7.9401 117.9811 59.3367 29.8234 179.3772 135 R 3.9525 7.5543 117.3536 59.1878 30.3661 178.9323 136 V 3.7327 7.9166 118.1545 65.8980 31.3068 178.1697 137 V 3.5872 8.0632 117.3968 66.0394 31.5925 177.6169 138 A 4.1792 8.0616 120.5246 54.4470 18.3589 179.6269 139 L 4.4781 7.7573 120.5920 54.8078 41.8186 179.3640 *141 K 4.2273 8.0051 117.1027 56.2171 34.1589 177.7088 142 S 4.2769 7.6223 111.5425 60.7886 62.9228 174.7916 143 E 4.6394 7.8731 114.8263 54.4812 32.3666 175.2165 144 E 4.0443 8.9069 121.9248 56.5343 30.1606 175.7046 145 I 4.5046 7.7500 119.8759 59.1529 41.6307 172.5204 146 H 3.8415 8.5959 120.4313 56.5580 28.2572 175.0130 147 E 4.0840 8.7945 123.8405 57.5982 29.2830 179.0054 148 T 4.3307 7.4899 120.1042 65.0621 68.7744 177.3299 149 V 3.6016 7.4471 113.8773 64.4466 31.5521 178.3184 150 L 3.9678 7.8407 117.8971 57.9420 41.6760 179.3764 151 R 3.9117 7.3478 114.6461 59.7021 29.9172 178.2705 152 Y 4.0613 8.0486 118.8803 60.7509 39.0052 177.7335 153 L 3.8988 8.3141 119.9218 58.0770 40.5518 179.2059 154 N 4.5175 8.7369 118.3212 56.1691 38.8197 176.9588 155 R 4.3427 7.7255 118.7109 58.4678 30.3551 178.4746 156 L 3.6317 8.2943 121.1042 57.9735 41.8109 179.2102 157 S 4.3580 7.9684 113.8439 61.7241 62.8987 176.3339 158 D 4.3872 7.5604 119.9552 56.9168 40.4475 177.8679 159 Y 4.0814 8.2667 120.5622 61.0196 38.7791 178.3894 160 F 3.9711 8.0089 118.4113 60.3334 38.8071 177.4225 161 F 3.9564 8.1298 120.1754 61.3677 39.2687 177.1273 162 A 3.9720 8.1879 120.4769 54.9462 18.2918 179.7268 163 G 2.8967 8.3232 104.6482 47.6940 0.0000 175.7168 164 A 3.8929 8.1685 123.5993 54.7134 18.2961 179.9980 165 R 4.4702 7.5860 117.9853 59.0400 30.2386 179.7338 166 V 3.6175 7.6563 118.6785 64.6268 30.5933 178.5090 167 V 3.9330 7.4333 118.7750 66.0115 31.4941 177.7540 168 N 4.4397 8.1100 115.8462 55.6466 38.2899 177.4852 169 A 3.9861 8.0493 122.6857 55.2808 18.4606 179.9371 170 R 3.9290 7.9084 114.7250 58.6029 30.1559 178.4222 171 S 4.6814 7.7866 112.2417 57.1794 63.6738 173.9956 172 G 3.9555 7.9622 109.6969 46.9105 0.0000 174.9581 173 I 4.0355 8.3159 121.9155 60.4369 38.6832 173.9577 174 G 3.9821 8.1440 115.1579 44.7794 0.0000 172.9794 175 D 4.5791 8.4993 123.8003 54.6967 41.7087 175.8812 176 V 4.1453 8.1927 121.4790 62.9649 32.7045 174.5633 177 E 5.0725 8.6474 126.4701 54.7642 32.2546 176.0341 178 Y 4.3533 9.4924 125.9877 57.1955 37.8464 173.7481 179 E 4.2863 8.1201 124.4653 53.0448 31.1914 175.7469 180 R 3.8399 8.2768 125.9188 59.1345 30.0737 178.8376 181 S 4.0688 8.0399 111.7178 61.1629 62.5909 175.4150 182 A 4.5997 7.7631 122.6795 53.1803 18.2397 179.2806 183 I 3.8638 7.8875 119.8606 64.3061 37.1223 178.5717 184 V 3.5921 7.6814 111.3322 64.3741 31.3854 177.1783 185 F 4.4700 7.1599 116.5851 58.5416 38.9596 175.8486 186 R 4.2553 8.0115 121.3363 55.2710 30.5879 176.2533 187 D 4.5149 8.6867 121.5592 55.2946 41.3040 177.0212 188 R 4.7000 8.1665 122.8551 55.3124 31.4281 176.4512 189 N 4.3825 8.6752 117.9489 55.3947 39.1650 174.2544 190 S 4.4114 7.7646 114.9802 59.1672 62.4220 176.3505 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 22 K 8.31 4.31 0.00 1.88 2.02 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 23 D 7.76 4.67 0.00 2.82 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 24 S 8.83 4.18 0.00 4.09 4.11 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 25 L 7.90 4.05 0.00 1.72 1.77 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.78 3.99 0.00 1.89 2.08 0.00 3.10 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 27 V 7.70 3.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 28 E 8.35 3.95 0.00 2.25 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 2.32 2.42 0.00 29 S 7.95 4.18 0.00 4.09 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 30 Y 7.94 3.96 0.00 3.00 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 0.00 31 G 8.62 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 0.00 0.00 0.00 0.00 32 T 8.13 3.75 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 1.24 0.00 0.00 33 I 7.63 3.85 1.87 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 1.40 0.90 0.84 0.00 0.00 34 D 8.18 4.22 0.00 2.83 2.91 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 35 E 9.05 4.02 0.00 2.08 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 2.49 2.71 0.00 36 L 8.50 4.08 0.00 1.81 1.94 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.30 4.47 0.00 3.14 2.98 0.00 0.00 7.14 7.21 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 38 S 8.22 4.14 0.00 4.02 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.01 0.00 3.11 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 40 I 7.81 3.86 2.18 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 1.10 0.00 0.00 41 G 8.09 3.61 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 0.00 42 L 7.78 3.94 0.00 1.68 1.86 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.13 3.96 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 44 L 8.32 3.98 0.00 1.96 1.92 1.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.91 4.05 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 46 E 8.14 4.05 0.00 2.11 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 2.26 2.30 0.00 47 L 8.33 3.84 0.00 1.82 1.63 0.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.44 4.35 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 49 G 7.61 3.75 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 0.00 0.00 0.00 50 Q 7.49 4.79 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 51 P 0.00 4.59 0.00 2.18 2.07 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 52 G 9.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.60 5.10 0.00 2.97 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 54 E 8.44 4.09 0.00 2.10 2.06 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 2.43 2.49 0.00 55 D 8.13 4.46 0.00 3.23 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 56 L 8.13 4.23 0.00 2.04 1.88 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 3.92 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 1.28 0.00 0.00 58 A 7.99 4.22 1.41 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 0.00 0.00 0.00 59 E 8.42 4.08 0.00 2.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 60 L 8.83 4.22 0.00 1.79 1.93 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.70 4.05 0.00 2.09 1.79 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.85 3.83 4.14 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 1.24 0.00 0.00 63 I 7.79 4.05 2.20 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 1.12 0.00 0.00 64 Q 8.23 4.99 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 65 H 8.25 4.17 0.00 3.42 3.35 0.00 5.82 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 66 E 8.59 4.10 0.00 1.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 67 L 8.60 4.12 0.00 1.97 1.80 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.12 4.11 0.00 3.32 3.28 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 0.00 69 D 8.02 4.48 0.00 2.95 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 70 C 7.95 4.02 0.00 3.04 2.97 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 0.00 0.00 0.00 71 G 7.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 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 73 D 8.51 4.67 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.40 0.00 89 S 7.83 4.31 0.00 3.77 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.84 3.86 2.29 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 1.15 0.00 0.00 1.03 0.00 0.00 91 S 8.00 4.23 0.00 4.10 4.15 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 92 F 7.93 4.19 0.00 3.08 3.41 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 0.00 93 L 8.00 3.64 0.00 1.75 1.55 0.34 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.79 3.92 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 95 T 7.67 3.78 4.13 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 1.22 0.00 0.00 96 R 7.44 3.47 0.00 1.90 2.01 0.00 2.83 0.00 0.00 2.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.98 0.00 97 I 8.39 3.82 2.06 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 1.65 0.83 0.97 0.00 0.00 98 D 8.15 4.43 0.00 2.76 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 99 A 8.03 3.86 1.12 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 0.00 0.00 100 Y 7.91 4.38 0.00 3.14 2.86 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 0.00 101 T 8.28 3.88 4.43 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 0.00 0.00 0.00 1.25 0.00 0.00 102 A 8.23 4.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.37 3.99 0.00 2.05 2.31 0.00 0.00 0.00 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 2.37 0.00 104 A 7.89 4.18 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 0.00 105 P 0.00 4.23 0.00 2.18 2.09 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 106 E 8.99 3.88 0.00 1.96 2.00 0.00 0.00 0.00 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 2.40 0.00 107 L 8.47 4.20 0.00 1.78 1.70 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.37 4.52 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.31 7.81 109 K 7.39 4.34 0.00 1.67 1.67 0.00 2.01 0.00 0.00 1.99 0.00 0.00 3.25 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.52 7.81 110 F 8.60 4.72 0.00 3.18 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 0.00 111 I 8.78 5.02 2.09 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.92 1.05 0.00 0.00 112 L 8.47 4.88 0.00 1.57 1.65 1.06 1.15 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 0.00 113 P 0.00 3.72 0.00 2.00 1.97 0.00 3.68 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 2.03 2.14 0.00 114 G 9.10 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.26 4.46 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 0.00 116 S 8.81 4.43 0.00 4.02 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 0.00 117 K 8.45 3.93 0.00 1.78 1.88 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 118 C 7.89 4.04 0.00 2.72 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 0.00 119 A 7.75 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.20 4.04 0.00 4.05 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 0.00 121 L 7.96 4.00 0.00 1.80 1.69 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 L 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8.29 3.63 0.00 1.24 1.65 0.40 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 157 S 7.97 4.36 0.00 4.18 4.16 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 0.00 0.00 0.00 158 D 7.56 4.39 0.00 2.86 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 0.00 159 Y 8.27 4.08 0.00 2.81 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 0.00 160 F 8.01 3.97 0.00 3.30 3.18 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 0.00 161 F 8.13 3.96 0.00 3.06 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 0.00 162 A 8.19 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.17 3.89 1.21 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 0.00 165 R 7.59 4.47 0.00 1.81 1.85 0.00 2.57 0.00 0.00 3.04 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.00 166 V 7.66 3.62 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 0.16 0.00 0.00 1.04 0.00 0.00 167 V 7.43 3.93 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 0.63 0.00 0.00 0.78 0.00 0.00 168 N 8.11 4.44 0.00 3.04 2.83 0.00 0.00 6.92 8.11 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 0.00 169 A 8.05 3.99 1.38 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 0.00 0.00 0.00 170 R 7.91 3.93 0.00 1.89 1.80 0.00 3.03 0.00 0.00 2.86 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 171 S 7.79 4.68 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.04 1.87 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 1.38 0.94 0.91 0.00 0.00 174 G 8.14 3.98 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 0.00 0.00 0.00 175 D 8.50 4.58 0.00 2.70 2.58 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 0.00 176 V 8.19 4.15 2.27 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 1.07 0.00 0.00 0.89 0.00 0.00 177 E 8.65 5.07 0.00 1.90 1.89 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 2.28 2.31 0.00 178 Y 9.49 4.35 0.00 3.01 3.21 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 0.00 179 E 8.12 4.29 0.00 2.02 1.74 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 2.28 2.46 0.00 180 R 8.28 3.84 0.00 1.76 1.86 0.00 3.02 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 181 S 8.04 4.07 0.00 4.06 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 0.00 182 A 7.76 4.60 1.42 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 0.00 183 I 7.89 3.86 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.89 0.00 0.00 184 V 7.68 3.59 1.75 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 0.55 0.00 0.00 0.34 0.00 0.00 185 F 7.16 4.47 0.00 3.43 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 0.00 186 R 8.01 4.26 0.00 2.02 1.87 0.00 3.19 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 187 D 8.69 4.51 0.00 2.67 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 0.00 188 R 8.17 4.70 0.00 1.71 1.86 0.00 3.27 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 189 N 8.68 4.38 0.00 2.68 2.87 0.00 0.00 7.12 7.63 0.00 0.00 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 S 7.76 4.41 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.