NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3434 8.0433 120.9915 54.1411 44.0905 180.0315 5 N 3.7726 8.0020 113.3090 54.1413 38.5325 173.0164 6 N 4.9806 9.0794 125.5130 54.1829 40.3539 175.1870 7 H 4.1362 8.5413 121.3229 59.3830 29.6901 176.8191 8 D 4.2984 8.1193 119.2996 57.3293 41.0699 178.1577 9 V 3.7613 7.8668 118.1710 66.4225 31.5345 177.3209 10 H 4.1112 8.3934 115.8645 58.8149 28.4986 177.4117 11 K 3.8498 8.2550 121.4111 59.8331 31.7863 178.9109 12 R 4.0232 8.1942 117.0038 59.5243 30.2363 178.1818 13 Y 3.8777 8.5741 119.6496 60.6526 38.8278 177.9944 14 Q 3.8132 8.3770 119.1232 58.7998 28.5244 178.3191 15 D 4.5188 7.7550 119.2185 56.1504 41.0342 177.1982 16 R 4.4251 7.5459 113.6048 55.0273 30.9971 177.1238 17 L 3.5713 7.1017 120.2019 58.6422 41.9032 178.6707 18 E 3.9223 7.9887 117.6940 59.1627 29.4374 178.7360 19 E 3.9157 8.0794 118.8311 59.5948 29.7400 178.4887 20 D 4.5674 8.3364 119.0048 57.3306 40.8625 179.1132 21 V 3.6446 8.1607 119.0085 66.2560 31.4203 178.1065 22 E 4.1955 8.2013 116.9051 59.0214 29.1879 179.1927 23 F 4.4556 8.3576 118.3712 60.9186 39.1343 177.6306 24 T 4.3072 8.4826 109.1426 64.1462 68.7691 176.4869 25 I 3.8856 8.2482 121.0132 63.3817 38.0270 176.5765 26 N 4.3684 7.5634 116.2090 54.3807 38.9970 173.3999 27 Y 4.7400 7.4748 115.9895 56.6538 41.7909 175.9510 28 E 3.0172 8.1657 121.0598 54.3206 28.2252 174.9565 29 L 4.5754 7.6759 120.0393 52.5966 43.8856 175.9670 30 P 4.8040 0.0000 0.0000 62.4663 33.5071 177.4652 31 L 4.2067 8.6338 118.4572 57.9474 41.4871 179.8213 32 S 4.2377 8.2734 113.8970 61.9236 62.8148 176.3658 33 C 4.2840 8.2103 119.7719 62.3128 27.7832 175.7130 34 L 4.0800 8.0732 120.4126 57.6528 41.0441 179.1699 35 W 4.4721 8.5902 127.1831 61.0003 30.5440 177.8913 36 S 4.2877 8.2888 115.0774 61.7176 61.9927 176.7948 37 T 3.9343 7.8189 112.1509 63.9191 68.8529 175.7443 38 I 4.1790 7.2383 114.0365 60.8097 37.8143 177.6183 39 K 3.6894 7.5036 121.5888 59.4405 32.0172 178.4116 40 D 4.3613 7.9288 116.2944 54.6349 39.9156 176.9892 41 F 4.3984 8.1330 122.7233 61.3706 39.5169 174.7911 42 S 4.4018 7.2049 110.5740 57.5975 65.3351 175.2255 43 S 4.4292 8.5574 118.7913 59.4304 63.9054 174.3318 44 D 4.6595 8.1635 122.4253 53.4034 42.1719 176.1226 45 F 4.5925 9.1316 128.8707 61.9030 39.5352 177.0298 46 E 3.8461 8.4036 117.5428 59.3158 29.2684 179.0725 47 E 4.1073 8.7629 118.7351 59.3453 29.5438 179.3993 48 K 3.9190 8.2689 118.5123 59.7909 32.1317 179.2925 49 T 4.0170 8.1749 116.1406 66.8064 68.3999 176.3014 50 E 3.9954 8.2780 119.9487 59.4726 29.5499 179.2694 51 A 2.8027 7.8330 120.6544 54.5606 18.2133 179.1960 52 F 3.7429 8.1780 119.4315 61.6680 39.3432 177.5268 53 F 4.4084 7.9044 117.0356 60.3479 38.6569 177.7484 54 I 3.6662 7.5465 119.5182 64.3075 36.9281 178.0550 55 L 3.9693 7.5942 120.9474 58.1103 41.8272 178.6330 56 F 4.1077 8.2358 120.6855 61.4207 39.1697 177.1348 57 K 3.6278 8.1990 118.1965 59.4206 31.8352 179.0016 58 E 3.9078 8.1170 119.4030 59.2403 29.3548 178.8457 59 L 4.0546 7.8956 118.1775 57.6908 41.8066 179.1698 60 L 4.0328 8.0175 119.1467 57.8018 41.3087 179.6100 61 R 3.9094 7.9798 117.1840 59.5436 30.1085 179.1641 62 R 4.0626 7.8267 116.5869 57.4837 30.1181 177.9577 63 G 3.9731 7.8463 105.9875 45.3818 0.0000 173.9810 64 H 4.4705 7.8667 116.1900 57.8427 29.2807 175.3349 65 L 3.6272 7.8460 121.2857 54.6013 42.0059 175.6219 66 K 4.7030 7.3536 124.9830 54.4459 36.0655 175.2471 67 L 5.3195 8.3245 120.7852 53.0293 45.5225 175.5704 68 Q 5.2229 9.3337 119.8160 54.6134 32.8823 173.8697 69 R 4.8858 8.5484 119.1759 55.3867 33.9873 174.6378 70 D 4.4525 9.9941 123.5479 55.4599 38.4610 175.0890 71 G 4.0017 8.7578 106.7280 45.4700 0.0000 174.1791 72 Q 4.6722 7.8741 119.5287 53.6897 30.6948 175.0816 73 I 4.4589 8.3699 123.6586 61.5870 37.9702 175.3166 74 I 4.5613 8.8101 127.2004 59.5084 39.4878 175.2265 75 G 4.1746 8.6073 113.9860 45.3634 0.0000 172.7157 76 H 4.8148 8.4729 120.1346 53.1761 32.8314 174.1136 77 T 4.1676 8.2769 112.4158 60.9398 70.6808 173.9025 78 P 4.2185 0.0000 0.0000 65.9361 31.3667 178.7540 79 E 3.9310 8.1124 116.7446 59.4604 29.4063 179.1884 80 E 4.0376 8.0821 118.4425 59.1826 29.4837 179.2585 81 W 4.7425 8.2907 119.2717 59.9798 29.0324 178.1002 82 E 4.0090 8.5413 119.4035 59.3125 29.0638 178.7983 83 Q 3.9345 8.1481 117.6371 59.3983 28.3149 178.7183 84 I 3.7670 8.1442 121.1384 64.2370 37.2339 178.1952 85 F 4.6174 9.1047 118.7534 60.7786 38.9459 178.0592 86 R 4.0504 8.5664 118.2023 59.1994 29.5740 178.5722 87 E 4.0851 8.2390 118.4104 58.4388 29.6189 177.7614 88 V 4.4613 7.3544 108.5044 60.3122 32.8119 175.5610 89 W 3.6220 7.9293 130.3990 56.3124 31.2167 173.9984 90 P 3.9503 0.0000 0.0000 62.7366 31.2325 177.3647 91 E 3.7769 8.5012 121.1343 58.8380 29.5967 176.7815 92 Y 4.5935 6.6452 111.3220 55.4134 41.5512 174.8520 93 E 3.2609 7.5860 122.5546 58.2433 30.5836 176.4895 94 I 4.8163 7.4221 110.4558 58.7464 41.1224 174.5173 95 E 4.8352 9.1175 125.1013 53.4868 32.0178 173.5037 96 P 4.6662 0.0000 0.0000 62.5175 32.2347 175.8177 97 N 4.6711 8.6994 121.0804 53.1208 39.3483 173.3767 98 P 4.3551 0.0000 0.0000 64.5599 31.6277 175.8953 99 L 4.6074 8.5662 121.2716 52.0572 42.1428 174.1680 100 P 4.2286 0.0000 0.0000 64.2921 31.5184 176.8060 101 G 3.7782 8.8646 110.0743 45.5463 0.0000 173.0311 102 Y 4.3145 7.0161 116.5869 56.6280 38.8472 174.9638 103 A 3.9970 8.3620 124.5423 51.5169 18.7416 175.8478 104 P 4.3796 0.0000 0.0000 62.6156 32.9734 175.2963 105 F 4.7823 9.2861 119.2011 56.2131 40.6205 175.6588 106 D 5.1731 8.4935 122.4395 51.3737 41.7981 176.0698 107 I 3.3119 7.8875 117.7471 63.3889 38.7873 178.1306 108 G 3.8544 7.5508 107.3590 46.7765 0.0000 174.4025 *110 W 4.5754 8.0885 130.5585 57.0855 32.0938 177.5274 111 L 4.0990 8.0805 116.4633 57.5006 41.2519 178.5160 112 T 4.3726 7.6093 114.8907 65.4129 68.7161 175.8915 113 V 4.4661 7.5913 109.8084 60.6168 33.7903 175.4470 114 E 4.3784 8.2060 118.8439 55.5963 29.2563 175.5746 115 A 3.0725 7.1105 121.1498 50.0094 19.6219 177.9561 116 P 4.2603 0.0000 0.0000 65.4021 31.5355 176.2144 117 A 4.6954 6.4014 115.3848 51.1838 22.8236 175.2776 118 Y 4.7856 8.8972 115.9725 55.6663 42.1461 175.4785 119 A 4.4976 8.9281 125.0052 52.5601 18.7431 177.1580 120 V 4.6792 8.3219 120.3436 59.7021 35.6158 175.9382 121 W 4.2422 8.8740 120.5087 57.0184 29.6498 175.5400 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 4 L 8.04 4.34 0.00 1.87 2.02 0.94 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.00 3.77 0.00 2.90 2.08 0.00 0.00 6.77 7.11 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 6 N 9.08 4.98 0.00 2.75 2.88 0.00 0.00 6.45 8.16 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 7 H 8.54 4.14 0.00 3.24 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.12 4.30 0.00 2.87 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 9 V 7.87 3.76 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 1.42 0.00 0.00 1.07 0.00 0.00 10 H 8.39 4.11 0.00 3.46 3.39 0.00 5.88 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 11 K 8.25 3.85 0.00 1.76 1.98 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 12 R 8.19 4.02 0.00 2.24 2.14 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 13 Y 8.57 3.88 0.00 2.40 2.80 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 14 Q 8.38 3.81 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 15 D 7.75 4.52 0.00 2.81 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 16 R 7.55 4.43 0.00 1.84 2.04 0.00 2.90 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.00 17 L 7.10 3.57 0.00 1.50 1.54 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.99 3.92 0.00 1.97 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 2.36 2.28 0.00 19 E 8.08 3.92 0.00 2.05 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 0.00 2.56 2.63 0.00 20 D 8.34 4.57 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.16 3.64 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 1.01 0.00 0.00 1.00 0.00 0.00 22 E 8.20 4.20 0.00 2.04 1.88 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 2.29 2.34 0.00 23 F 8.36 4.46 0.00 3.50 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 24 T 8.48 4.31 4.41 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 1.40 0.00 0.00 25 I 8.25 3.89 2.13 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 1.55 0.93 0.94 0.00 0.00 26 N 7.56 4.37 0.00 2.55 2.37 0.00 0.00 6.95 7.42 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 27 Y 7.47 4.74 0.00 3.02 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 28 E 8.17 3.02 0.00 1.37 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 1.47 1.54 0.00 29 L 7.68 4.58 0.00 1.82 1.71 1.02 1.08 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 30 P 0.00 4.80 0.00 2.41 2.36 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 31 L 8.63 4.21 0.00 1.81 1.94 0.46 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.27 4.24 0.00 4.14 4.32 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 33 C 8.21 4.28 0.00 3.23 3.07 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 34 L 8.07 4.08 0.00 2.19 1.81 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.59 4.47 0.00 3.27 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 36 S 8.29 4.29 0.00 4.16 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 37 T 7.82 3.93 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 1.27 0.00 0.00 38 I 7.24 4.18 1.58 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.78 0.00 0.00 39 K 7.50 3.69 0.00 1.86 1.82 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.08 1.10 7.81 40 D 7.93 4.36 0.00 2.80 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 41 F 8.13 4.40 0.00 2.95 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 42 S 7.20 4.40 0.00 3.43 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 43 S 8.56 4.43 0.00 4.04 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 44 D 8.16 4.66 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.13 4.59 0.00 3.39 3.25 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 46 E 8.40 3.85 0.00 2.27 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 0.00 2.44 2.55 0.00 47 E 8.76 4.11 0.00 2.23 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 2.42 2.60 0.00 48 K 8.27 3.92 0.00 2.07 1.30 0.00 1.39 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.37 1.72 7.81 49 T 8.17 4.02 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 0.74 0.00 0.00 50 E 8.28 4.00 0.00 2.19 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 2.63 2.57 0.00 51 A 7.83 2.80 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 52 F 8.18 3.74 0.00 3.16 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 53 F 7.90 4.41 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.67 1.81 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 1.35 0.90 1.12 0.00 0.00 55 L 7.59 3.97 0.00 1.78 1.59 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.24 4.11 0.00 2.02 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 57 K 8.20 3.63 0.00 1.86 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 58 E 8.12 3.91 0.00 2.19 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 0.00 2.32 2.40 0.00 59 L 7.90 4.05 0.00 1.82 1.78 1.03 0.97 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 60 L 8.02 4.03 0.00 1.67 1.62 -0.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.98 3.91 0.00 1.98 1.98 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 62 R 7.83 4.06 0.00 1.81 1.99 0.00 3.30 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 63 G 7.85 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 64 H 7.87 4.47 0.00 3.39 3.73 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.85 3.63 0.00 1.60 1.66 0.67 0.62 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 66 K 7.35 4.70 0.00 1.48 1.54 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.39 7.81 67 L 8.32 5.32 0.00 1.14 1.09 -0.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.33 5.22 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 69 R 8.55 4.89 0.00 2.01 1.84 0.00 3.46 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 70 D 9.99 4.45 0.00 2.88 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 71 G 8.76 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 0.00 0.00 0.00 72 Q 7.87 4.67 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 73 I 8.37 4.46 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 1.37 0.51 1.03 0.00 0.00 74 I 8.81 4.56 2.38 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.89 0.00 0.00 75 G 8.61 4.17 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 0.00 76 H 8.47 4.81 0.00 1.40 2.33 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.28 4.17 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 1.17 0.00 0.00 78 P 0.00 4.22 0.00 2.13 2.05 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 79 E 8.11 3.93 0.00 2.01 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 0.00 2.37 2.44 0.00 80 E 8.08 4.04 0.00 1.92 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 81 W 8.29 4.74 0.00 3.34 3.07 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 82 E 8.54 4.01 0.00 1.98 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 1.91 1.47 0.00 83 Q 8.15 3.93 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 84 I 8.14 3.77 2.37 0.00 0.00 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 1.47 0.53 1.08 0.00 0.00 85 F 9.10 4.62 0.00 3.79 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 86 R 8.57 4.05 0.00 1.79 1.91 0.00 2.79 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.00 87 E 8.24 4.09 0.00 2.17 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 0.00 2.38 2.39 0.00 88 V 7.35 4.46 2.41 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 0.83 0.00 0.00 1.32 0.00 0.00 89 W 7.93 3.62 0.00 3.49 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 90 P 0.00 3.95 0.00 1.66 1.45 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.44 0.00 91 E 8.50 3.78 0.00 1.45 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 2.13 2.18 0.00 92 Y 6.65 4.59 0.00 2.97 2.56 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 93 E 7.59 3.26 0.00 1.34 1.68 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 2.37 2.36 0.00 94 I 7.42 4.82 1.83 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 1.14 0.77 0.85 0.00 0.00 95 E 9.12 4.84 0.00 2.04 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 2.26 0.00 96 P 0.00 4.67 0.00 2.14 2.03 0.00 3.86 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 97 N 8.70 4.67 0.00 2.78 3.01 0.00 0.00 7.06 7.69 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 98 P 0.00 4.36 0.00 2.27 2.22 0.00 4.06 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 99 L 8.57 4.61 0.00 2.01 1.92 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.23 0.00 2.14 2.06 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 101 G 8.86 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 0.00 102 Y 7.02 4.31 0.00 3.13 2.82 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 0.00 103 A 8.36 4.00 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 0.00 104 P 0.00 4.38 0.00 2.02 2.02 0.00 3.66 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 1.91 1.93 0.00 105 F 9.29 4.78 0.00 2.96 3.04 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 0.00 106 D 8.49 5.17 0.00 2.60 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 0.00 107 I 7.89 3.31 1.22 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 -0.30 0.31 0.00 0.00 0.00 108 G 7.55 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 *110 W 8.09 4.58 0.00 3.18 3.07 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 0.00 111 L 8.08 4.10 0.00 1.88 1.78 0.65 1.25 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 0.00 112 T 7.61 4.37 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 1.22 0.00 0.00 113 V 7.59 4.47 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 0.70 0.00 0.00 0.89 0.00 0.00 114 E 8.21 4.38 0.00 1.27 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 2.07 2.06 0.00 115 A 7.11 3.07 0.69 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 0.00 0.00 116 P 0.00 4.26 0.00 1.54 1.98 0.00 2.32 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.84 0.00 117 A 6.40 4.70 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 0.00 118 Y 8.90 4.79 0.00 2.92 2.88 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 0.00 119 A 8.93 4.50 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 0.00 120 V 8.32 4.68 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 0.80 0.00 0.00 1.00 0.00 0.00 121 W 8.87 4.24 0.00 3.47 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 * Residues marked with a * may have inaccurate shift predictions.