NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1673 8.2493 123.5811 52.1474 20.0130 177.4492 *2 L 4.1284 7.9817 118.9430 56.4313 42.1804 176.3653 3 I 4.2200 7.4377 120.6082 59.5862 37.0097 175.3837 4 L 4.1688 8.2643 125.8784 54.6220 42.1369 176.8373 5 S 4.6716 7.9742 115.0662 56.2781 66.2900 171.5324 *10 P 4.0902 0.0000 0.0000 62.5905 32.6423 178.1843 11 N 4.6468 7.8295 112.3682 54.2568 35.8532 176.4211 12 F 4.3755 8.3350 119.4541 60.9896 39.0733 176.6084 13 E 4.1388 8.4332 115.8260 58.5183 29.4210 177.4408 14 Y 4.5892 8.2158 117.0552 57.9030 38.3547 176.6517 15 E 4.0608 8.2292 121.9324 59.5435 29.7632 178.2075 16 E 4.0220 8.2816 118.3559 59.6337 29.7166 178.7125 17 I 3.8689 7.9054 119.1749 64.6935 37.0646 178.5273 18 T 4.2010 8.3134 116.7337 66.8150 68.3273 177.1139 19 R 4.1198 8.4992 120.3298 59.3629 30.0201 179.1089 20 S 4.1751 8.4582 112.9716 61.2296 62.2053 175.7233 21 F 4.0750 8.4352 122.4754 61.4875 39.2367 176.7314 22 L 4.0052 8.1594 117.0558 58.0053 41.6255 179.4379 23 S 4.4393 8.5971 115.3386 61.5600 62.6757 177.1601 24 N 3.8938 7.9552 116.4241 53.3921 37.8384 177.0563 *26 L 3.9515 7.8915 120.9869 54.7571 43.7256 179.0994 27 A 4.2535 7.8133 120.2046 55.4542 18.2594 179.7491 28 F 4.6101 8.5280 116.6283 61.0299 39.0581 178.1122 29 T 4.0254 7.9971 114.9988 66.7066 68.3119 176.5417 30 R 3.9269 8.7280 121.0860 59.4183 30.0448 178.7559 31 G 3.7743 8.7139 105.7699 45.8807 0.0000 175.1308 32 H 4.1490 8.3543 119.7013 59.2669 29.9946 177.1586 33 F 4.4925 8.1137 118.0190 59.8205 38.9236 177.0975 34 T 4.3904 8.2901 108.3656 61.1068 69.5701 176.1982 35 G 3.7800 8.3330 108.4295 45.3146 0.0000 172.7996 36 D 4.4223 8.0656 121.0611 53.7664 40.9662 176.4591 37 I 3.2650 7.7221 122.8883 60.0611 38.1097 178.4009 38 S 4.0284 7.6514 116.7152 62.5166 63.4919 175.2027 39 H 4.8395 7.7973 121.3873 54.3830 29.1854 175.0584 40 F 4.8975 7.7025 117.2430 56.5072 40.2993 176.9774 41 S 4.0898 8.7826 118.6509 58.5405 63.9015 173.6361 42 P 4.2634 0.0000 0.0000 65.6856 31.0627 179.1974 43 I 3.6586 7.6056 118.3802 64.2251 36.8253 178.4886 44 V 3.0333 7.5461 117.3294 65.7943 31.4484 177.3809 45 L 4.0670 7.9798 117.7087 57.9074 41.2681 179.1703 46 A 4.0994 7.9526 120.5425 54.7922 18.1186 180.2158 47 E 3.4961 7.5737 115.4653 56.5615 29.0993 179.1343 *49 E 4.2022 8.0881 119.4358 56.4123 31.4566 177.5032 50 K 3.9593 7.6133 117.5461 58.4177 32.5805 175.9960 51 D 4.7811 7.9556 118.9363 51.4324 42.5267 174.1305 52 P 4.4388 0.0000 0.0000 64.8465 31.6647 176.7014 53 N 4.7601 8.4729 115.9838 52.8094 39.4861 176.2280 54 W 4.1070 8.2988 129.7094 60.6180 30.5191 177.5709 55 L 3.8223 8.0218 119.2788 58.1724 41.7776 178.1779 56 E 3.6385 8.0993 118.7673 59.3592 29.5122 178.5234 57 E 3.8258 8.1877 118.3665 58.9883 29.2338 179.2149 58 A 3.5116 7.3812 120.0269 54.8316 18.4135 179.1341 59 A 4.1908 7.8441 118.2915 55.4322 18.8095 179.8673 60 G 3.7318 8.1208 104.3001 47.5998 0.0000 175.9458 61 G 3.6462 7.8513 105.7025 46.1797 0.0000 174.7524 *63 Q 4.2007 8.0344 120.9652 55.6686 30.9261 177.7785 64 G 3.5859 8.1674 104.4237 47.8377 0.0000 175.7928 65 V 3.4509 7.7181 120.9413 65.5834 31.3727 178.1489 66 I 3.5455 7.6826 118.9410 64.3210 37.0727 178.4115 67 V 3.4594 7.7162 118.8607 66.1933 31.1795 178.1125 68 Q 3.9736 8.0270 116.6126 58.8471 28.6673 178.5404 69 S 4.2656 8.1525 116.2783 61.7241 63.0404 176.4281 70 L 4.3008 8.0173 119.6596 55.8536 41.4027 178.7239 71 L 4.1803 7.8639 118.8014 56.4874 41.6164 177.7776 72 E 4.5222 7.5796 117.2894 54.9296 30.1711 174.7401 73 D 4.7481 7.5419 120.8957 52.5133 42.1745 177.1346 74 E 4.0566 8.8311 126.3287 59.3269 29.6045 177.9493 75 N 4.2867 8.6092 115.3316 54.4437 38.7378 174.9210 76 F 4.9232 7.6875 116.6221 55.5535 41.6826 175.2330 77 S 4.6291 8.7807 117.7290 58.9269 64.4569 174.5734 78 S 4.7891 7.6101 114.4043 55.4851 67.2775 174.8132 79 V 3.5641 8.2371 121.2489 66.2660 31.1913 177.9505 80 E 3.9892 8.1009 117.8094 58.9255 29.4515 178.7393 81 Q 3.9905 8.1958 119.9921 58.9605 29.1260 178.1083 82 L 3.4692 7.6975 121.0585 58.0947 42.1509 179.1204 83 K 4.0529 8.3034 118.8321 59.2570 31.9410 179.4564 84 G 3.7308 8.3383 106.2292 48.0423 0.0000 175.6089 85 E 4.1719 8.4282 121.0849 58.9358 29.4637 179.2150 86 L 3.5195 8.1826 120.2367 58.0512 42.1586 178.8484 87 A 3.9010 8.4297 121.1385 55.0554 18.2357 179.6767 88 R 3.8269 8.1763 117.2787 59.3846 30.2237 178.2333 89 L 4.1243 8.0427 120.2054 58.4706 42.0217 179.0569 90 I 3.8273 7.9222 119.5843 64.4297 37.0962 178.3172 91 R 3.6435 8.2906 119.8461 59.4711 29.8190 178.5421 92 L 4.0641 8.2079 118.7298 57.9529 41.5749 178.7938 93 Y 3.8425 8.4943 119.5441 60.6894 38.8888 178.2549 94 F 4.1012 8.7421 118.5432 60.5007 38.9943 177.4642 95 A 4.0597 8.0773 120.3334 55.0602 18.1875 179.2984 96 L 3.6860 8.0910 118.9883 58.2923 41.8340 179.1485 97 A 3.8710 7.6819 119.7238 53.7008 18.1700 178.5869 98 K 4.3647 7.1888 115.0667 56.0600 34.1259 175.6394 99 D 4.2865 7.6480 116.3378 56.5737 40.0860 172.9166 100 N 4.9970 8.3436 111.2867 53.1985 39.7308 173.4926 101 L 4.8842 7.6737 115.7279 52.4998 44.2441 177.4317 102 T 4.1962 8.5029 113.6773 61.0001 70.9481 175.2800 103 E 3.9088 8.7100 121.1805 59.8148 29.4869 178.5563 104 N 4.4009 8.1274 115.7310 56.5022 38.6474 177.3236 105 Q 4.1155 8.3157 119.4671 58.8608 28.7144 178.5408 106 E 4.1100 8.4929 120.1117 59.2912 29.4229 179.1689 107 S 4.1138 8.1998 113.1865 61.3636 62.4416 175.8291 108 L 3.9769 7.9865 122.8669 58.4077 41.7331 178.1166 109 Y 4.2319 8.5109 119.6648 61.0292 38.6669 178.4832 110 V 3.4703 8.1565 119.0187 65.9352 31.5700 177.6195 111 D 4.3747 8.3486 118.8192 57.4264 40.6807 178.6483 112 L 4.0601 8.2045 120.8808 58.0238 42.1043 178.7332 113 F 3.9229 8.4875 121.1219 61.3528 39.2774 176.9231 114 D 4.5209 8.6654 118.9460 57.0722 40.5363 178.5255 115 K 3.9203 8.3254 120.3071 59.7264 32.1884 178.7689 116 F 3.9315 8.3509 117.9245 60.7194 38.7762 177.7205 117 T 3.7761 8.0156 115.2670 66.6346 68.2164 176.2034 118 F 4.2359 8.6402 122.7457 61.6328 39.1896 177.2299 119 L 3.7038 7.9206 117.1195 57.3539 41.6792 179.1310 120 L 3.8350 7.9331 119.3051 57.5492 41.2094 179.4173 121 L 4.0690 7.6950 117.9403 57.4587 41.5920 178.4670 122 C 4.3045 7.1687 114.2469 59.1070 28.5499 173.2910 123 S 4.4604 7.4230 117.2414 56.6886 62.3234 174.1210 124 D 4.3211 8.7938 128.6331 57.6119 40.9301 177.9777 125 E 4.0809 8.2280 117.0346 59.4268 29.9893 178.1173 126 F 4.2693 8.6823 121.2737 61.3770 39.6674 178.2707 127 I 3.3091 7.9228 120.6910 61.5103 36.2539 177.3356 *129 Y 4.4652 7.9768 123.0058 57.6253 40.2514 176.1700 130 L 3.7494 7.4423 118.5725 57.6251 41.9501 178.2320 131 D 4.4664 8.1574 117.8486 55.4070 40.9538 176.3762 132 S 4.3621 7.7242 116.3425 59.0306 62.7833 176.2147 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 A 8.25 4.17 1.29 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 0.00 0.00 *2 L 7.98 4.13 0.00 1.77 1.83 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.44 4.22 1.87 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 0.88 0.91 0.00 0.00 4 L 8.26 4.17 0.00 1.63 1.59 0.91 0.86 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 5 S 7.97 4.67 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 P 0.00 4.09 0.00 1.57 1.60 0.00 4.02 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 11 N 7.83 4.65 0.00 2.98 3.10 0.00 0.00 7.60 8.13 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 12 F 8.34 4.38 0.00 3.13 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 E 8.43 4.14 0.00 2.01 2.19 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 1.70 2.04 0.00 14 Y 8.22 4.59 0.00 3.17 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 15 E 8.23 4.06 0.00 2.29 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 2.47 2.51 0.00 16 E 8.28 4.02 0.00 2.15 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 2.46 2.49 0.00 17 I 7.91 3.87 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.03 0.00 0.00 18 T 8.31 4.20 4.52 0.00 0.00 0.00 0.00 0.00 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 19 R 8.50 4.12 0.00 2.05 2.32 0.00 3.29 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 20 S 8.46 4.18 0.00 4.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.44 4.08 0.00 3.34 3.49 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 0.00 22 L 8.16 4.01 0.00 1.59 1.26 0.35 0.99 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 23 S 8.60 4.44 0.00 4.09 3.99 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 24 N 7.96 3.89 0.00 2.54 1.80 0.00 0.00 7.00 7.33 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 *26 L 7.89 3.95 0.00 1.22 0.13 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.81 4.25 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 28 F 8.53 4.61 0.00 2.87 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 29 T 8.00 4.03 4.58 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 1.62 0.00 0.00 30 R 8.73 3.93 0.00 1.88 2.06 0.00 2.72 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 31 G 8.71 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 32 H 8.35 4.15 0.00 3.14 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.11 4.49 0.00 3.42 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.29 4.39 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 1.14 0.00 0.00 35 G 8.33 3.78 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 0.00 0.00 0.00 36 D 8.07 4.42 0.00 2.70 2.47 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 37 I 7.72 3.27 1.44 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.68 0.00 0.00 38 S 7.65 4.03 0.00 3.93 4.02 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 39 H 7.80 4.84 0.00 3.14 3.42 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.70 4.90 0.00 3.10 2.94 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 41 S 8.78 4.09 0.00 3.90 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 42 P 0.00 4.26 0.00 2.19 2.09 0.00 3.66 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 2.12 2.20 0.00 43 I 7.61 3.66 1.84 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 1.39 1.09 0.85 0.00 0.00 44 V 7.55 3.03 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 0.37 0.00 0.00 0.98 0.00 0.00 45 L 7.98 4.07 0.00 1.76 1.71 0.94 0.83 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 46 A 7.95 4.10 1.26 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 0.00 0.00 0.00 47 E 7.57 3.50 0.00 1.16 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 2.11 2.01 0.00 *49 E 8.09 4.20 0.00 2.14 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 2.17 2.20 0.00 50 K 7.61 3.96 0.00 1.69 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 51 D 7.96 4.78 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.44 0.00 2.24 2.19 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 53 N 8.47 4.76 0.00 2.79 2.85 0.00 0.00 6.43 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 54 W 8.30 4.11 0.00 3.51 3.22 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 55 L 8.02 3.82 0.00 2.03 1.75 0.97 1.12 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 56 E 8.10 3.64 0.00 2.00 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 2.26 2.19 0.00 57 E 8.19 3.83 0.00 2.07 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 0.00 2.23 2.23 0.00 58 A 7.38 3.51 0.29 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 0.00 0.00 59 A 7.84 4.19 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 60 G 8.12 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 61 G 7.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 Q 8.03 4.20 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 64 G 8.17 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.72 3.45 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 0.55 0.00 0.00 0.50 0.00 0.00 66 I 7.68 3.55 1.96 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 1.47 0.64 0.89 0.00 0.00 67 V 7.72 3.46 2.02 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 0.96 0.00 0.00 0.88 0.00 0.00 68 Q 8.03 3.97 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 69 S 8.15 4.27 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.02 4.30 0.00 1.56 1.58 0.93 0.77 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 71 L 7.86 4.18 0.00 1.75 1.71 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.58 4.52 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 73 D 7.54 4.75 0.00 2.71 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 74 E 8.83 4.06 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 75 N 8.61 4.29 0.00 2.36 2.30 0.00 0.00 6.79 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 76 F 7.69 4.92 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.78 4.63 0.00 3.98 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 78 S 7.61 4.79 0.00 4.02 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 79 V 8.24 3.56 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 1.12 0.00 0.00 0.92 0.00 0.00 80 E 8.10 3.99 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 81 Q 8.20 3.99 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 82 L 7.70 3.47 0.00 1.27 1.61 -0.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.30 4.05 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 84 G 8.34 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 85 E 8.43 4.17 0.00 2.48 2.38 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 2.67 2.82 0.00 86 L 8.18 3.52 0.00 1.66 1.74 0.39 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.43 3.90 1.33 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 0.00 0.00 0.00 88 R 8.18 3.83 0.00 2.03 2.18 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 89 L 8.04 4.12 0.00 1.79 1.70 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.92 3.83 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.81 0.00 0.00 91 R 8.29 3.64 0.00 1.69 2.07 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 92 L 8.21 4.06 0.00 2.20 1.91 1.11 0.69 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 93 Y 8.49 3.84 0.00 3.49 3.47 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 94 F 8.74 4.10 0.00 3.26 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 95 A 8.08 4.06 1.32 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 0.00 0.00 96 L 8.09 3.69 0.00 1.36 1.36 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.68 3.87 1.03 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 0.00 0.00 98 K 7.19 4.36 0.00 1.96 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.42 7.81 99 D 7.65 4.29 0.00 2.72 2.66 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 0.00 100 N 8.34 5.00 0.00 2.61 2.81 0.00 0.00 6.88 7.37 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 0.00 101 L 7.67 4.88 0.00 1.60 1.53 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.50 4.20 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 0.00 103 E 8.71 3.91 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 2.40 2.50 0.00 104 N 8.13 4.40 0.00 2.82 2.87 0.00 0.00 7.12 7.61 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 0.00 105 Q 8.32 4.12 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 106 E 8.49 4.11 0.00 2.23 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 0.00 2.34 2.49 0.00 107 S 8.20 4.11 0.00 4.12 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 0.00 108 L 7.99 3.98 0.00 1.88 1.98 0.98 0.74 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 0.00 109 Y 8.51 4.23 0.00 3.15 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 0.00 110 V 8.16 3.47 2.22 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 1.10 0.00 0.00 1.05 0.00 0.00 111 D 8.35 4.37 0.00 3.04 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 0.00 112 L 8.20 4.06 0.00 2.05 1.91 1.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.49 3.92 0.00 2.73 2.94 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 0.00 114 D 8.67 4.52 0.00 2.98 2.77 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 0.00 115 K 8.33 3.92 0.00 1.88 1.94 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.49 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.40 7.81 116 F 8.35 3.93 0.00 2.98 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 0.00 117 T 8.02 3.78 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 118 F 8.64 4.24 0.00 3.10 3.26 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 0.00 119 L 7.92 3.70 0.00 1.54 1.61 0.74 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.93 3.83 0.00 1.42 0.58 0.48 -0.41 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 0.00 121 L 7.70 4.07 0.00 1.67 1.66 1.04 0.91 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 0.00 122 C 7.17 4.30 0.00 2.64 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 0.00 123 S 7.42 4.46 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.79 4.32 0.00 2.66 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 0.00 125 E 8.23 4.08 0.00 1.94 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 2.42 2.35 0.00 126 F 8.68 4.27 0.00 2.91 3.23 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 0.00 127 I 7.92 3.31 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.38 0.00 0.00 *129 Y 7.98 4.47 0.00 2.81 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 0.00 130 L 7.44 3.75 0.00 1.51 1.61 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.16 4.47 0.00 2.60 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 0.00 132 S 7.72 4.36 0.00 3.82 3.69 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 * Residues marked with a * may have inaccurate shift predictions.