NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8019 8.4444 117.8485 55.6779 30.1246 172.2212 *3 D 4.1363 8.5300 123.0397 54.3228 41.8890 174.6955 4 F 4.9218 8.3188 122.9965 57.3506 39.8616 177.0282 5 D 4.3172 8.1283 124.2558 57.1300 40.6847 178.7530 6 F 4.3509 8.2342 112.8511 59.0890 38.1801 176.3290 7 L 3.6255 7.2197 121.7235 56.3967 41.6082 176.7345 8 E 3.9684 7.5680 120.5191 57.3991 29.7491 177.1378 9 G 3.9288 8.7077 114.5652 45.1043 0.0000 173.7957 10 K 4.2128 7.7283 119.9820 56.5003 33.1007 176.4113 11 R 5.2671 8.3450 121.1581 54.8007 34.4835 174.3258 12 L 4.6915 8.7885 121.7342 54.3706 45.9685 174.3377 13 T 5.2659 8.5512 121.3721 61.9095 72.2079 172.8674 14 E 4.6873 9.3370 124.9499 54.6144 33.8150 173.5233 15 D 5.1307 8.7481 125.9760 53.5402 42.1836 175.3909 16 V 4.5221 8.9679 126.4341 60.8041 34.5902 174.3139 17 A 4.6288 8.6520 129.6807 51.7799 19.5495 176.5701 18 L 4.4548 9.1400 123.8572 53.8196 42.9923 176.4485 19 D 5.0741 8.4222 124.1177 50.8982 41.9750 175.9407 20 E 4.0781 8.6559 116.5084 59.5465 29.6984 178.0865 21 T 4.1317 7.7597 111.3456 61.0432 68.1032 174.8051 *23 V 4.0193 7.4338 119.4066 62.1626 32.7934 174.7998 24 W 4.6575 9.6207 133.9764 57.0377 29.6909 175.4637 25 N 4.6901 8.4188 121.3284 52.2390 37.7666 175.9228 26 E 3.8649 7.6889 120.2308 58.8595 29.6298 176.1567 27 D 4.5992 6.0500 115.7299 51.7626 41.4897 175.5349 28 I 3.7114 8.1767 121.4385 63.8788 37.5967 176.7094 29 E 4.1838 7.7518 120.2275 56.5193 29.2917 177.8775 *31 L 4.2848 8.0385 120.5500 54.7260 43.7437 179.2692 32 D 4.4703 8.0689 116.6973 55.9801 39.3598 177.4614 33 L 3.9811 8.0357 118.6624 55.7193 42.6770 176.2656 34 H 4.1129 8.0757 114.9014 56.2507 27.9305 174.4459 35 L 4.7761 7.5365 119.7767 55.2664 43.3709 178.7884 36 V 4.1725 8.7299 123.4340 61.6500 32.3114 176.0322 37 A 4.2661 8.6729 125.4512 52.1386 19.6045 178.5953 38 T 3.7302 8.6746 117.4996 66.8437 68.7083 177.4080 39 S 4.0629 8.0830 115.4014 61.2881 62.9435 176.2277 40 A 3.9382 7.8855 123.8231 55.0071 18.2605 179.4055 41 L 3.8906 7.7507 117.2560 57.8355 41.6239 179.7703 42 I 3.5419 7.8415 119.9290 64.2497 36.9596 178.4277 43 G 3.6069 7.8724 106.4207 47.9433 0.0000 175.7636 44 V 3.5168 7.6230 120.5455 65.5669 31.4552 178.3418 45 V 3.5242 7.6961 117.9026 66.2424 31.4702 177.4769 46 H 3.7181 8.2149 116.1961 59.1242 28.6697 177.9287 47 R 3.9690 8.1251 119.6758 59.2110 29.7772 179.3959 48 V 3.6622 7.5458 117.7748 65.8662 31.4838 178.1825 49 S 3.9301 7.8523 113.8303 61.5686 62.4691 175.9938 50 Y 3.9166 7.8204 122.6604 60.2268 38.1724 177.1481 51 E 3.9528 8.2720 120.1995 59.1003 29.5298 178.4585 52 L 4.1053 7.8385 119.0502 58.3675 42.5125 178.6276 53 L 4.2523 8.2102 119.2566 57.8733 41.3612 179.6681 54 S 3.9909 7.8783 113.4224 61.4897 62.7438 176.6017 55 R 3.8376 7.4561 119.1705 58.0257 29.7612 176.7476 56 Y 4.7407 7.9591 113.8713 57.4401 39.6988 175.7895 57 L 4.6175 7.6785 119.4919 52.9196 43.2387 174.7564 58 P 4.6256 0.0000 0.0000 62.4928 31.9534 177.5733 59 N 4.5408 8.7778 117.3645 55.6859 38.8453 175.8695 60 D 4.7672 8.2651 116.5510 53.1865 40.0683 174.7550 61 Y 5.0580 7.9347 117.6593 56.9123 40.5298 174.9203 62 T 4.9260 9.0505 117.7538 60.4159 71.2746 172.0945 63 A 5.2101 8.6136 122.7504 50.6776 21.9223 176.1715 64 V 4.5564 8.6274 115.5155 59.1108 35.7011 175.3475 65 V 4.2265 8.3947 123.6197 63.3810 31.3138 175.9040 66 V 4.3936 8.7116 120.7134 61.9885 33.9307 175.7398 67 E 4.8312 7.9845 119.6294 55.1985 33.1591 173.7784 68 T 5.3038 8.3449 118.8823 60.7899 70.8450 172.3944 69 L 4.9871 9.3678 129.2280 53.4212 45.7161 174.8892 70 A 5.1643 8.5688 125.8815 50.7218 22.6461 175.2186 71 R 4.4683 9.0966 121.0395 54.7862 32.5896 174.9135 72 H 4.8985 8.9058 124.5162 55.0704 29.8493 173.8344 73 V 4.2107 8.6640 119.3700 61.6939 32.8895 176.7570 74 K 4.4468 7.8050 120.1297 54.2981 35.1197 175.2976 75 A 4.2046 8.4381 129.2649 52.1293 19.2942 176.9472 76 V 4.6739 7.9559 120.2870 59.4381 34.8999 172.7512 77 P 5.1015 0.0000 0.0000 62.3153 32.4680 175.8512 78 T 3.9353 8.7343 112.9446 62.6510 69.5916 174.2755 79 G 3.9399 9.3490 108.8698 45.9455 0.0000 173.3505 80 T 4.7707 7.5674 114.9053 61.4869 72.3710 172.9578 81 R 5.0774 8.5329 122.7605 54.9102 32.2155 176.1210 82 V 4.6063 8.9565 115.5096 59.3881 36.0371 174.4551 83 A 4.8155 8.4759 125.0621 51.1923 20.4292 176.2641 84 V 4.5466 9.1547 123.8744 61.1633 34.0111 174.5103 85 G 4.5476 9.0399 115.5085 44.5276 0.0000 172.0960 86 V 5.3207 8.9640 116.7971 59.6064 36.2565 174.6747 87 R 5.0881 8.8830 122.3288 54.8287 34.1193 174.0625 88 V 3.7240 8.8223 126.9495 62.8089 32.0376 176.4257 89 V 4.1797 8.0392 120.9748 60.8708 33.0025 176.3281 90 G 3.9708 6.9251 105.3095 45.5082 0.0000 172.6826 91 V 4.8653 8.4142 122.7513 60.8243 34.6978 174.9695 92 V 4.2210 8.5594 127.1296 61.5949 33.9417 175.3862 93 G 3.8381 8.3091 119.5911 47.2564 0.0000 172.8065 94 N 4.7459 8.8590 122.9238 52.6062 37.5635 173.7907 95 R 4.8495 7.9369 119.7016 55.1188 32.0344 175.3685 96 V 4.4024 8.8425 125.0744 60.8563 33.9992 174.0138 97 K 4.7068 8.8070 130.5943 55.2695 33.8045 175.2998 98 F 5.1084 9.0203 125.5537 55.6510 42.6224 174.3650 99 R 5.1364 8.7844 120.3067 54.5524 32.8597 175.5157 100 G 4.7490 9.1636 108.9971 44.6657 0.0000 171.2905 101 I 5.1635 9.0078 121.6794 59.1919 42.0251 174.2245 102 V 5.0390 8.6968 127.9590 60.2914 35.4603 174.5711 *104 S 4.3459 8.4691 116.0304 58.5970 63.0000 174.6980 105 G 3.9640 8.1243 120.4736 47.0114 0.0000 172.2661 106 D 4.7623 8.9996 123.3102 53.5750 40.9502 175.0791 107 E 4.5422 7.6811 119.5795 54.1608 30.8314 175.8510 108 K 4.2379 8.6028 125.5346 56.7101 33.2682 175.7385 109 I 4.3160 8.9447 127.2468 62.7512 39.0535 175.5008 110 L 5.2491 7.6466 122.5404 53.4024 45.6881 174.0283 111 E 5.3619 9.0983 122.8801 54.6430 32.8339 174.6066 112 A 5.3653 9.0929 122.3546 50.6180 23.6222 174.5493 113 E 5.2015 9.4906 120.0829 54.8048 33.4035 174.2541 114 F 5.3836 8.6165 120.4184 56.0281 42.2438 172.9197 115 V 4.9546 9.1903 119.5016 61.3330 34.3680 174.3170 116 R 5.2074 9.3134 126.7508 54.6892 32.8999 174.8894 117 A 5.0545 8.8951 125.1089 50.5530 21.1441 176.0081 118 I 4.5621 8.6158 124.8261 60.4892 38.0848 175.8515 119 V 4.6528 8.8504 126.5644 60.1853 35.4020 173.0378 120 P 4.2350 0.0000 0.0000 62.5141 32.0093 177.4639 121 R 3.9428 8.5711 122.4746 59.5523 29.8863 179.2008 122 E 3.9869 8.0254 116.7521 59.1156 29.5666 178.8826 123 K 3.8798 7.7486 120.3754 59.1875 32.2929 178.3850 124 L 3.9004 7.8251 119.8824 58.2940 41.7841 178.6796 125 R 3.9455 8.3939 118.9642 59.3849 29.7164 178.7014 126 R 3.9374 8.4097 117.4762 59.2093 30.2127 178.0243 127 L 4.0651 8.1071 117.2367 57.9952 41.6573 178.8926 128 A 4.2015 8.3423 119.0718 53.6596 18.7692 177.6340 129 L 4.7504 7.4818 118.5907 55.2034 42.1800 177.1402 130 E 4.3108 8.0247 119.0308 56.0579 30.5819 177.8616 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 0 H 8.44 4.80 0.00 3.27 3.52 0.00 5.72 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 *3 D 8.53 4.14 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.32 4.92 0.00 3.02 2.72 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 5 D 8.13 4.32 0.00 2.87 2.72 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 6 F 8.23 4.35 0.00 3.08 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 7 L 7.22 3.63 0.00 1.41 1.38 0.63 0.65 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 8 E 7.57 3.97 0.00 1.94 1.77 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 2.22 2.14 0.00 9 G 8.71 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 10 K 7.73 4.21 0.00 1.66 1.60 0.00 0.77 0.00 0.00 0.80 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.31 7.81 11 R 8.35 5.27 0.00 1.66 1.80 0.00 3.23 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 12 L 8.79 4.69 0.00 1.82 1.52 0.97 0.83 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 13 T 8.55 5.27 4.27 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 1.27 0.00 0.00 14 E 9.34 4.69 0.00 1.95 1.72 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 2.21 2.26 0.00 15 D 8.75 5.13 0.00 2.72 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 16 V 8.97 4.52 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 0.79 0.00 0.00 1.03 0.00 0.00 17 A 8.65 4.63 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 18 L 9.14 4.45 0.00 1.59 1.63 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.42 5.07 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.66 4.08 0.00 2.08 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 2.27 2.24 0.00 21 T 7.76 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *23 V 7.43 4.02 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 0.76 0.00 0.00 1.00 0.00 0.00 24 W 9.62 4.66 0.00 3.13 3.32 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 0.00 0.00 0.00 0.00 25 N 8.42 4.69 0.00 2.78 2.83 0.00 0.00 6.23 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 26 E 7.69 3.86 0.00 2.07 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 2.40 2.44 0.00 27 D 6.05 4.60 0.00 2.40 1.77 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 28 I 8.18 3.71 1.80 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 1.35 0.65 0.83 0.00 0.00 29 E 7.75 4.18 0.00 2.14 1.99 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 2.32 2.24 0.00 *31 L 8.04 4.28 0.00 1.66 1.69 0.84 0.82 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 32 D 8.07 4.47 0.00 2.79 2.81 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 33 L 8.04 3.98 0.00 1.74 1.80 1.00 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 34 H 8.08 4.11 0.00 3.47 3.52 0.00 5.46 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.54 4.78 0.00 1.98 1.71 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.73 4.17 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 0.71 0.00 0.00 0.94 0.00 0.00 37 A 8.67 4.27 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 38 T 8.67 3.73 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 1.19 0.00 0.00 39 S 8.08 4.06 0.00 4.02 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 40 A 7.89 3.94 1.39 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 0.00 0.00 41 L 7.75 3.89 0.00 1.81 1.61 0.70 0.72 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 42 I 7.84 3.54 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.50 0.00 0.00 43 G 7.87 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 44 V 7.62 3.52 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 0.95 0.00 0.00 0.95 0.00 0.00 45 V 7.70 3.52 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 0.90 0.00 0.00 0.93 0.00 0.00 46 H 8.21 3.72 0.00 3.13 3.15 0.00 5.70 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 47 R 8.13 3.97 0.00 1.98 1.98 0.00 3.08 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 48 V 7.55 3.66 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 1.09 0.00 0.00 1.04 0.00 0.00 49 S 7.85 3.93 0.00 2.72 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 50 Y 7.82 3.92 0.00 3.06 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 51 E 8.27 3.95 0.00 2.24 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 2.34 2.39 0.00 52 L 7.84 4.11 0.00 1.77 1.98 1.18 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.21 4.25 0.00 1.59 1.61 1.08 1.09 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 54 S 7.88 3.99 0.00 3.79 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 55 R 7.46 3.84 0.00 1.53 1.30 0.00 3.10 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 56 Y 7.96 4.74 0.00 3.04 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 57 L 7.68 4.62 0.00 1.66 1.67 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.63 0.00 2.72 2.12 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 59 N 8.78 4.54 0.00 3.03 2.93 0.00 0.00 6.89 8.06 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 60 D 8.27 4.77 0.00 2.74 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 61 Y 7.93 5.06 0.00 3.06 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 62 T 9.05 4.93 4.34 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 1.31 0.00 0.00 63 A 8.61 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 64 V 8.63 4.56 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 0.74 0.00 0.00 0.96 0.00 0.00 65 V 8.39 4.23 1.99 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 0.72 0.00 0.00 0.75 0.00 0.00 66 V 8.71 4.39 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 0.72 0.00 0.00 1.03 0.00 0.00 67 E 7.98 4.83 0.00 2.04 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 2.34 2.35 0.00 68 T 8.34 5.30 4.34 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 1.25 0.00 0.00 69 L 9.37 4.99 0.00 1.78 1.67 0.94 1.11 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 70 A 8.57 5.16 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 71 R 9.10 4.47 0.00 1.75 1.85 0.00 3.10 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 72 H 8.91 4.90 0.00 3.07 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.66 4.21 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 0.69 0.00 0.00 0.99 0.00 0.00 74 K 7.81 4.45 0.00 1.65 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.42 7.81 75 A 8.44 4.20 1.18 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 0.00 0.00 76 V 7.96 4.67 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 0.94 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.10 0.00 2.08 2.11 0.00 3.78 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 1.99 1.94 0.00 78 T 8.73 3.94 4.39 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 1.30 0.00 0.00 79 G 9.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.57 4.77 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 1.22 0.00 0.00 81 R 8.53 5.08 0.00 1.69 1.84 0.00 3.15 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 82 V 8.96 4.61 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 0.68 0.00 0.00 0.96 0.00 0.00 83 A 8.48 4.82 1.25 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 0.00 0.00 0.00 0.00 0.00 84 V 9.15 4.55 2.09 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 0.77 0.00 0.00 0.93 0.00 0.00 85 G 9.04 4.55 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 86 V 8.96 5.32 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 0.88 0.00 0.00 1.07 0.00 0.00 87 R 8.88 5.09 0.00 1.86 1.70 0.00 3.06 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 88 V 8.82 3.72 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 0.50 0.00 0.00 0.47 0.00 0.00 89 V 8.04 4.18 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 0.64 0.00 0.00 0.84 0.00 0.00 90 G 6.93 3.97 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 0.00 0.00 0.00 91 V 8.41 4.87 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 0.78 0.00 0.00 0.78 0.00 0.00 92 V 8.56 4.22 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 0.92 0.00 0.00 0.91 0.00 0.00 93 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.86 4.75 0.00 3.04 3.21 0.00 0.00 5.89 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 95 R 7.94 4.85 0.00 1.91 1.87 0.00 3.23 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 96 V 8.84 4.40 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 0.41 0.00 0.00 0.71 0.00 0.00 97 K 8.81 4.71 0.00 1.70 1.57 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.31 7.81 98 F 9.02 5.11 0.00 1.51 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 5.14 0.00 1.73 1.82 0.00 3.05 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 100 G 9.16 4.75 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 0.00 101 I 9.01 5.16 1.90 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 1.13 1.62 0.94 0.00 0.00 102 V 8.70 5.04 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 1.25 0.00 0.00 0.90 0.00 0.00 *104 S 8.47 4.35 0.00 3.92 3.82 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 0.00 0.00 0.00 105 G 8.12 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 0.00 106 D 9.00 4.76 0.00 2.67 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 0.00 107 E 7.68 4.54 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 108 K 8.60 4.24 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 109 I 8.94 4.32 1.96 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 1.11 0.93 0.94 0.00 0.00 110 L 7.65 5.25 0.00 1.56 1.37 0.75 0.76 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 0.00 111 E 9.10 5.36 0.00 2.09 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 2.18 2.24 0.00 112 A 9.09 5.37 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 0.00 113 E 9.49 5.20 0.00 2.03 1.81 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 2.21 2.22 0.00 114 F 8.62 5.38 0.00 3.29 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 0.00 115 V 9.19 4.95 2.15 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 1.04 0.00 0.00 0.95 0.00 0.00 116 R 9.31 5.21 0.00 2.03 1.92 0.00 3.29 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 117 A 8.90 5.05 1.25 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 0.00 0.00 0.00 0.00 0.00 118 I 8.62 4.56 1.20 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.32 0.50 0.00 0.00 119 V 8.85 4.65 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 0.93 0.00 0.00 1.02 0.00 0.00 120 P 0.00 4.24 0.00 1.95 1.46 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 121 R 8.57 3.94 0.00 1.84 1.99 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 122 E 8.03 3.99 0.00 2.17 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 2.29 2.27 0.00 123 K 7.75 3.88 0.00 1.81 2.04 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 124 L 7.83 3.90 0.00 1.86 1.64 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.39 3.95 0.00 1.98 2.10 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 126 R 8.41 3.94 0.00 2.04 1.98 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 127 L 8.11 4.07 0.00 1.74 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.34 4.20 1.31 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 0.00 0.00 0.00 0.00 0.00 129 L 7.48 4.75 0.00 1.70 1.64 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.02 4.31 0.00 1.94 1.65 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 2.10 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.