NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -11 S 4.3324 8.4345 115.2870 58.4446 63.3789 173.9747 -10 Q 4.3158 8.5007 124.1221 53.7670 29.1177 172.1014 -9 S 4.8101 7.9247 113.6962 58.9866 63.9277 174.0244 -8 T 4.8901 8.2910 116.3251 61.6396 69.1221 176.3545 -7 S 4.2861 7.9265 121.4481 61.7436 63.3069 175.0847 -6 L 3.9962 7.8077 120.2260 54.8478 41.8084 175.4778 -5 Y 5.4535 7.5539 119.6778 54.2441 41.9385 174.2197 -4 K 5.2327 8.8039 118.0228 53.8515 35.3136 175.1049 -3 K 4.5482 8.8366 124.0561 54.6511 34.4680 175.8202 -2 A 4.4507 7.8747 129.1375 50.7372 20.8944 177.7703 -1 G 3.7526 8.1321 114.3209 47.3551 0.0000 173.8481 0 L 4.2506 8.4695 121.6693 54.7656 40.1337 175.7582 -9 Y 4.8901 7.7347 118.2962 58.5866 37.9277 175.3244 -8 I 4.7101 8.1410 122.6251 60.9396 38.1221 178.0545 -7 E 4.1661 8.0365 125.9481 60.0436 29.4069 177.0847 -6 V 3.7762 7.6777 117.6260 61.9478 32.3084 174.1778 -5 V 5.0235 7.4639 118.5778 58.5441 37.0385 174.6197 -4 K 5.2327 8.8039 118.0228 53.8515 35.3136 175.1049 -3 T 4.5782 8.6966 117.2561 60.2511 71.1680 173.9202 -2 N 4.8707 8.0347 124.0375 51.3372 40.6944 175.1703 -1 K 4.1126 8.0921 125.9209 58.4551 31.8534 175.5481 0 A 4.2306 8.5495 123.6693 52.1656 16.8337 175.9582 12 P 4.3235 0.0000 0.0000 62.6006 31.8869 176.5159 13 E 3.8695 8.6104 122.9681 55.8756 30.1308 176.3353 14 A 3.9648 8.2547 128.3463 51.2378 17.8522 176.5638 15 I 4.2822 8.3761 123.1912 61.4903 39.3354 175.6184 16 G 3.8747 8.8020 111.8459 43.7556 0.0000 170.7253 17 P 4.6831 0.0000 0.0000 61.3169 30.6991 173.9266 18 Y 4.9058 7.2104 115.9288 56.8607 41.3695 174.0342 19 S 4.6686 8.2530 115.4539 56.3694 66.4720 174.3930 20 Q 4.3835 8.6606 121.9820 59.1092 29.2319 176.4358 21 A 5.1681 7.7429 116.2959 50.9399 22.8653 175.0838 22 I 5.1448 9.0261 119.2901 59.6923 41.1149 175.0345 23 V 4.8885 8.5638 125.8637 61.5112 33.4257 174.7375 24 T 5.2543 8.8829 122.2998 60.3872 70.6326 173.1762 25 G 3.8517 9.1389 117.9449 47.6035 0.0000 173.9691 26 S 4.6475 8.8262 120.5121 57.8202 63.0722 172.5723 27 F 5.2207 8.4342 119.8303 55.6376 42.1155 174.5812 28 V 4.9391 9.0008 122.1859 61.4379 34.2346 173.6648 29 Y 5.0002 9.2430 126.3178 56.5881 39.7191 175.2343 30 T 4.9219 8.6028 115.3664 60.5006 70.6792 174.9982 31 S 4.4697 9.0934 120.0513 58.2096 64.1394 174.3704 32 G 4.0747 8.5036 108.4703 46.1284 0.0000 173.5271 33 Q 4.6107 9.4640 127.2804 55.3692 29.9865 175.6268 34 I 4.9814 8.2312 116.0562 57.4828 40.9333 173.7027 35 P 4.6829 0.0000 0.0000 62.7218 29.9506 175.9595 36 I 4.5100 7.4321 119.7570 61.4682 38.8598 176.8894 37 N 4.6354 9.1436 126.8450 52.5235 39.1217 174.2283 38 P 4.3039 0.0000 0.0000 65.6887 31.8019 177.9628 39 Q 4.1129 8.2883 117.8284 59.1850 28.8251 177.5119 40 T 3.9994 7.8891 106.1694 62.2773 69.3875 175.8435 41 G 3.9181 8.5638 109.1036 45.5334 0.0000 172.5337 42 E 4.8209 7.7595 118.7312 53.6339 33.2681 175.6335 43 V 4.1027 8.3113 121.3772 63.1947 32.0130 176.3235 44 V 3.8855 8.4590 121.3252 61.4749 32.1050 176.1387 45 D 4.4934 8.5368 123.0284 54.9887 41.8780 176.0718 46 G 3.9664 8.7308 105.2409 44.2280 0.0000 171.5914 47 G 4.3829 8.7234 110.0870 44.3848 0.0000 173.7206 48 I 3.6555 8.4602 117.6603 64.1013 38.0437 178.4983 49 E 3.9584 8.1582 119.7649 59.4343 29.5375 178.5968 50 E 4.0309 8.0893 118.0915 59.4396 29.5525 179.1890 51 Q 4.0037 8.4195 118.1296 58.6466 28.7753 178.3891 52 A 3.9754 8.4262 122.2797 55.0824 18.3995 179.2239 53 K 3.7181 8.0600 117.9552 59.9385 32.1410 178.4818 54 Q 3.9177 8.1359 119.3922 59.2205 28.9686 178.3164 55 V 3.5670 8.0223 119.4557 66.2518 31.4834 178.0040 56 L 3.8259 7.7938 118.2781 57.1932 41.3151 179.3347 57 E 3.9786 8.2297 119.1217 59.3448 29.3918 178.8751 58 N 4.3330 8.3505 116.7944 56.2577 38.5415 177.2349 59 L 3.9361 8.0511 121.6150 57.9135 42.1313 178.4119 60 K 3.7933 8.0905 119.7926 60.2002 32.0627 178.3155 61 N 4.3514 8.3170 116.2207 55.9621 38.3028 177.7474 62 V 3.5942 7.9824 119.8168 66.0165 31.6867 177.9719 63 L 4.0409 8.1287 118.8369 58.0487 41.4862 179.5197 64 E 4.3210 8.7469 119.6825 58.8793 29.1873 179.2395 65 A 4.0235 8.0183 119.4837 54.6479 18.4684 178.5849 66 A 4.3397 7.5347 117.2704 52.0634 18.9319 178.2283 67 G 3.8390 7.9926 105.5073 45.6487 0.0000 173.8628 68 S 4.9165 7.5856 116.1974 57.8112 64.7844 172.1281 69 S 4.6626 7.8754 111.7709 57.9396 65.1737 175.7978 70 L 4.0698 8.2672 119.5419 57.8490 41.3548 179.2849 71 N 4.4516 7.7108 115.2226 55.5690 39.0840 175.3837 72 K 4.4797 7.8085 116.0236 55.9885 32.5892 175.6847 73 V 4.1783 7.6132 119.9427 62.9581 32.1287 176.0285 74 V 4.3218 8.7607 119.9033 62.1555 34.1311 175.8928 75 K 5.1346 7.8159 121.2520 55.1708 35.7088 174.9720 76 T 5.1946 9.1956 117.3086 60.1743 72.7404 172.7257 77 T 4.7691 8.4445 119.0783 61.6750 71.9300 173.1318 78 V 4.4290 8.4586 126.6768 61.2257 33.9210 174.0504 79 F 5.4272 9.1294 128.3981 55.9426 40.8487 175.2628 80 I 5.1441 8.6034 116.7891 58.9924 40.5665 176.2627 81 K 4.2193 8.9975 124.5442 58.3661 32.9049 175.6547 82 D 4.8080 7.7247 117.7207 53.0809 44.6019 174.8200 *84 D 4.6330 8.5057 120.2381 54.2928 42.8187 177.5999 85 S 4.4579 8.1397 112.3143 59.0830 63.1117 175.7668 86 F 4.2870 8.2080 125.1761 61.3469 39.1343 176.4635 87 A 3.8041 8.0011 120.2702 54.9642 18.0114 179.6104 88 K 3.8836 7.8748 116.5064 59.3880 32.0494 179.6661 89 V 3.5301 7.5786 118.0430 66.0651 31.3897 177.2448 90 N 3.8854 7.6612 116.9982 56.6043 38.4039 176.2699 91 E 3.8823 7.8949 119.5059 59.1979 29.9941 178.8171 92 V 3.8128 7.6249 118.1802 66.2236 31.6225 177.1191 93 Y 4.2021 8.3548 119.3306 61.0613 38.3602 178.0735 94 A 4.1943 8.3499 120.3365 55.2431 18.4876 179.3022 95 K 4.0854 8.1154 115.4430 58.4248 32.2624 177.3408 96 Y 4.0793 8.0105 115.4132 57.5215 38.9048 175.4659 97 F 5.0436 7.9484 117.4490 55.4240 42.7076 173.9473 98 S 4.8207 8.4306 116.2399 56.0200 65.8446 173.6156 99 E 3.5931 7.9841 120.8843 55.0379 29.7993 175.2878 100 P 4.2416 0.0000 0.0000 62.5729 32.0499 176.0336 101 Y 4.5395 8.1887 120.3865 56.9598 38.6262 173.7626 102 P 4.5815 0.0000 0.0000 62.7336 32.1790 176.2331 103 A 4.2372 8.4784 124.5741 52.9093 19.6402 176.5107 104 R 5.0445 8.1748 118.1840 55.2262 33.4718 174.2832 105 S 4.7232 8.7061 120.8990 56.8101 66.4894 172.7362 106 C 5.0752 8.4262 120.9102 57.9860 30.7756 173.8290 107 V 4.4511 8.3069 116.2746 59.4176 36.0340 174.0932 108 E 5.5230 8.6377 124.4239 55.0114 30.3768 175.8249 109 V 4.5931 8.3492 119.5704 59.4832 34.3249 176.0235 110 S 4.2952 8.6523 115.7956 60.5923 63.5090 174.1752 111 K 4.3651 7.2975 118.4275 55.5792 34.6763 173.4673 112 L 4.8386 7.8528 122.2989 51.6272 45.6483 174.2787 113 P 4.3594 0.0000 0.0000 64.2891 31.5516 177.0889 114 K 3.8858 9.4985 119.9953 57.0675 29.5954 175.7903 115 G 3.9249 8.1699 104.4200 46.3985 0.0000 175.1416 116 V 3.8379 7.3789 111.9131 61.5069 32.0715 176.1905 117 L 4.5977 9.3419 120.2944 55.3869 42.7986 176.2629 118 I 5.0333 7.4092 117.5576 59.9303 41.1547 173.1983 119 E 5.0819 9.6155 128.6387 54.8797 33.6787 173.8955 120 I 5.2386 8.9805 126.7179 59.6381 41.2290 174.2780 121 E 5.2872 8.9799 124.3342 54.7697 32.7726 174.7453 122 A 5.1862 8.9175 121.2904 50.3993 23.3766 174.9591 123 V 4.6465 8.7978 120.0158 61.0687 34.0588 174.6530 124 A 5.3691 9.1892 128.8470 50.2087 23.0607 174.3536 125 I 4.6614 8.4462 112.8189 59.0367 40.2156 176.1503 126 K 4.2255 8.3513 121.9117 57.0626 32.1876 175.9210 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 -11 S 8.43 4.33 0.00 3.83 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 -10 Q 8.50 4.32 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 -9 S 7.92 4.81 0.00 3.79 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 -8 T 8.29 4.89 4.26 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 0.00 0.00 1.22 0.00 0.00 -7 S 7.93 4.29 0.00 3.86 3.95 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 -6 L 7.81 4.00 0.00 1.61 1.55 0.88 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 -5 Y 7.55 5.45 0.00 3.11 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 -4 K 8.80 5.23 0.00 1.76 1.79 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.22 7.81 -3 K 8.84 4.55 0.00 1.98 1.77 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.14 0.77 7.81 -2 A 7.87 4.45 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 0.00 0.00 0.00 0.00 0.00 -1 G 8.13 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 0 L 8.47 4.25 0.00 1.77 1.72 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 -9 Y 7.73 4.89 0.00 2.93 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 -8 I 8.14 4.71 1.89 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 1.41 0.79 0.92 0.00 0.00 -7 E 8.04 4.17 0.00 2.03 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 2.32 2.27 0.00 -6 V 7.68 3.78 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 0.71 0.00 0.00 0.93 0.00 0.00 -5 V 7.46 5.02 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 K 8.80 5.23 0.00 1.76 1.79 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.22 7.81 -3 T 8.70 4.58 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 -2 N 8.03 4.87 0.00 2.51 2.43 0.00 0.00 6.79 7.51 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 -1 K 8.09 4.11 0.00 1.75 0.76 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.32 7.81 0 A 8.55 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.32 0.00 2.11 2.05 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 13 E 8.61 3.87 0.00 1.92 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 2.24 2.27 0.00 14 A 8.25 3.96 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.28 1.94 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 1.35 0.69 0.95 0.00 0.00 16 G 8.80 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.68 0.00 2.25 2.16 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 18 Y 7.21 4.91 0.00 3.22 3.02 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 0.00 0.00 0.00 0.00 19 S 8.25 4.67 0.00 3.86 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 20 Q 8.66 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 21 A 7.74 5.17 1.30 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 0.00 0.00 22 I 9.03 5.14 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 0.98 0.00 0.00 23 V 8.56 4.89 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 0.88 0.00 0.00 0.99 0.00 0.00 24 T 8.88 5.25 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 1.39 0.00 0.00 25 G 9.14 3.85 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 0.00 0.00 0.00 26 S 8.83 4.65 0.00 3.72 3.58 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 27 F 8.43 5.22 0.00 3.24 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 28 V 9.00 4.94 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 1.02 0.00 0.00 0.96 0.00 0.00 29 Y 9.24 5.00 0.00 2.97 2.96 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 30 T 8.60 4.92 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 31 S 9.09 4.47 0.00 4.03 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 32 G 8.50 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.46 4.61 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 34 I 8.23 4.98 1.89 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 1.43 0.71 0.93 0.00 0.00 35 P 0.00 4.68 0.00 2.15 2.44 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 36 I 7.43 4.51 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 1.26 0.86 0.96 0.00 0.00 37 N 9.14 4.64 0.00 2.85 2.71 0.00 0.00 6.67 8.19 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 38 P 0.00 4.30 0.00 2.23 2.14 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 39 Q 8.29 4.11 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 40 T 7.89 4.00 4.25 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 1.22 0.00 0.00 41 G 8.56 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 42 E 7.76 4.82 0.00 1.90 1.84 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 2.37 2.36 0.00 43 V 8.31 4.10 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 0.78 0.00 0.00 0.94 0.00 0.00 44 V 8.46 3.89 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 0.75 0.00 0.00 1.00 0.00 0.00 45 D 8.54 4.49 0.00 2.65 2.61 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 46 G 8.73 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 47 G 8.72 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 0.00 0.00 0.00 0.00 48 I 8.46 3.66 1.89 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 1.55 1.26 0.93 0.00 0.00 49 E 8.16 3.96 0.00 2.08 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 2.40 2.43 0.00 50 E 8.09 4.03 0.00 2.26 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 2.41 2.47 0.00 51 Q 8.42 4.00 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 52 A 8.43 3.98 1.43 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 0.00 0.00 0.00 53 K 8.06 3.72 0.00 1.90 2.03 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.61 7.81 54 Q 8.14 3.92 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 55 V 8.02 3.57 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 1.07 0.00 0.00 0.99 0.00 0.00 56 L 7.79 3.83 0.00 0.86 0.28 0.63 0.69 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 57 E 8.23 3.98 0.00 2.11 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 2.59 2.55 0.00 58 N 8.35 4.33 0.00 2.90 3.06 0.00 0.00 6.69 7.59 0.00 0.00 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 L 8.05 3.94 0.00 1.86 1.77 0.99 0.72 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 60 K 8.09 3.79 0.00 2.04 2.06 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 61 N 8.32 4.35 0.00 2.80 2.86 0.00 0.00 6.76 6.96 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 62 V 7.98 3.59 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 1.13 0.00 0.00 1.01 0.00 0.00 63 L 8.13 4.04 0.00 1.95 1.73 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.75 4.32 0.00 2.06 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 2.34 0.00 65 A 8.02 4.02 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 66 A 7.53 4.34 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 67 G 7.99 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 68 S 7.59 4.92 0.00 3.85 3.90 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 69 S 7.88 4.66 0.00 3.97 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 70 L 8.27 4.07 0.00 1.61 1.55 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.71 4.45 0.00 2.77 2.85 0.00 0.00 7.11 6.56 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 72 K 7.81 4.48 0.00 2.01 1.85 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.33 7.81 73 V 7.61 4.18 2.44 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 0.80 0.00 0.00 1.12 0.00 0.00 74 V 8.76 4.32 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 0.64 0.00 0.00 1.04 0.00 0.00 75 K 7.82 5.13 0.00 1.82 1.58 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.48 7.81 76 T 9.20 5.19 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 1.19 0.00 0.00 77 T 8.44 4.77 4.07 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 0.00 0.00 0.00 0.38 0.00 0.00 78 V 8.46 4.43 1.96 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 1.08 0.00 0.00 0.95 0.00 0.00 79 F 9.13 5.43 0.00 3.00 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 80 I 8.60 5.14 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 1.03 0.00 0.00 81 K 9.00 4.22 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 82 D 7.72 4.81 0.00 2.75 2.48 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 0.00 0.00 0.00 *84 D 8.51 4.63 0.00 3.06 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 85 S 8.14 4.46 0.00 4.11 4.36 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 86 F 8.21 4.29 0.00 3.11 3.12 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 87 A 8.00 3.80 1.28 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 0.00 0.00 88 K 7.87 3.88 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 89 V 7.58 3.53 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 1.17 0.00 0.00 0.99 0.00 0.00 90 N 7.66 3.89 0.00 2.24 2.58 0.00 0.00 6.91 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 91 E 7.89 3.88 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 2.33 2.32 0.00 92 V 7.62 3.81 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 1.09 0.00 0.00 1.02 0.00 0.00 93 Y 8.35 4.20 0.00 3.28 3.11 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 94 A 8.35 4.19 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 0.00 0.00 95 K 8.12 4.09 0.00 1.78 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.68 7.81 96 Y 8.01 4.08 0.00 2.51 2.21 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 97 F 7.95 5.04 0.00 3.21 3.10 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 98 S 8.43 4.82 0.00 3.85 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 99 E 7.98 3.59 0.00 1.74 1.69 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 1.63 1.52 0.00 100 P 0.00 4.24 0.00 2.16 2.03 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 101 Y 8.19 4.54 0.00 3.04 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 0.00 102 P 0.00 4.58 0.00 1.79 1.93 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.23 0.00 103 A 8.48 4.24 1.30 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 0.00 0.00 104 R 8.17 5.04 0.00 1.70 1.64 0.00 2.79 0.00 0.00 2.71 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 105 S 8.71 4.72 0.00 3.65 3.56 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 0.00 106 C 8.43 5.08 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 0.00 0.00 0.00 107 V 8.31 4.45 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 0.74 0.00 0.00 1.08 0.00 0.00 108 E 8.64 5.52 0.00 1.96 1.84 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 2.26 2.30 0.00 109 V 8.35 4.59 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 0.88 0.00 0.00 0.98 0.00 0.00 110 S 8.65 4.30 0.00 3.97 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 0.00 111 K 7.30 4.37 0.00 1.92 1.63 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.97 7.81 112 L 7.85 4.84 0.00 1.85 1.49 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.36 0.00 2.14 1.93 0.00 3.71 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 2.05 2.03 0.00 114 K 9.50 3.89 0.00 1.90 1.89 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.36 7.81 115 G 8.17 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 0.00 116 V 7.38 3.84 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 1.03 0.00 0.00 117 L 9.34 4.60 0.00 1.67 1.72 0.94 0.70 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 0.00 118 I 7.41 5.03 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 0.96 0.00 0.00 119 E 9.62 5.08 0.00 2.09 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 2.42 2.53 0.00 120 I 8.98 5.24 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 1.08 0.00 0.00 121 E 8.98 5.29 0.00 2.18 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 0.00 2.25 2.30 0.00 122 A 8.92 5.19 1.28 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 0.00 0.00 123 V 8.80 4.65 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 0.63 0.00 0.00 0.75 0.00 0.00 124 A 9.19 5.37 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 0.00 125 I 8.45 4.66 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.52 0.00 0.00 126 K 8.35 4.23 0.00 1.99 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.