NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1936 8.2644 123.5731 52.1466 18.8764 175.5486 3 S 4.4410 8.0500 115.9665 56.6756 64.3824 172.4149 4 L 3.8809 8.7538 132.5858 58.2605 42.6079 178.0266 5 A 3.9860 8.0759 120.2627 55.4334 18.1596 179.3698 6 R 3.9508 8.1562 116.7324 59.1732 30.2091 178.4953 7 A 4.2433 7.8054 120.5594 55.0324 18.3436 179.7860 8 V 3.4671 7.9707 116.8415 66.1823 31.6535 177.6104 9 E 3.9848 8.0214 118.5641 59.7819 29.2189 179.1957 10 R 4.0624 8.1459 117.8317 58.8071 30.1225 178.8859 11 L 3.9402 7.8827 120.3043 57.9782 42.2883 178.5095 12 K 3.7970 8.4501 119.8743 59.8049 32.1849 177.7935 13 A 3.9689 8.0044 120.3169 55.8159 18.0184 179.5223 14 A 4.1384 7.7125 117.7757 55.2129 18.5781 179.5389 15 L 4.1301 7.8221 116.3478 57.2433 41.7478 178.7269 16 E 4.2854 7.8777 117.2569 57.3521 29.9148 177.2431 17 R 4.0930 6.8582 116.1157 55.2189 30.7153 174.5093 18 P 4.4428 0.0000 0.0000 61.7698 31.4914 176.1578 19 K 3.7572 8.5299 124.7375 57.2582 32.5043 175.4654 20 D 4.5669 8.1089 123.3939 51.2382 43.2366 176.1226 21 E 3.7034 8.4774 118.2896 59.4988 29.1023 179.4165 22 F 4.1428 7.5552 117.9783 60.6616 39.0071 177.6554 23 I 4.0652 8.7679 119.7413 64.2121 37.0245 177.6733 24 R 3.9074 8.3541 120.0531 59.3276 29.7270 177.8295 25 D 4.4508 8.5181 118.1778 57.7979 41.0812 179.5407 26 S 4.3929 8.4974 114.1779 61.1961 62.7396 176.5773 27 A 3.9821 8.3193 124.6883 55.1488 18.2581 179.3012 28 I 3.7499 7.9486 117.8631 64.7985 36.7170 177.8121 29 Q 3.9796 8.5470 120.3593 59.7664 28.8917 179.1019 30 R 2.7835 8.1834 118.6111 58.5585 29.9892 178.9236 31 F 4.2854 8.3660 121.2217 61.1832 39.3854 176.6238 32 E 3.4756 7.9909 119.0912 59.1697 29.5484 178.8419 33 F 4.4189 7.6660 113.6490 59.8936 37.8297 177.4461 34 T 3.9282 7.2609 116.5687 66.3986 68.1869 176.5110 35 F 4.1498 7.9302 122.6605 60.9496 39.4867 176.8454 36 E 4.3745 8.5441 119.1360 59.6098 29.5584 178.9682 37 L 3.9425 7.8867 118.1923 57.3462 41.5611 179.3844 38 A 3.9110 7.8869 121.2992 54.9194 18.3721 179.6887 39 W 4.0926 8.1874 115.0481 59.6281 28.1421 178.5528 40 K 2.8690 7.0471 118.7821 58.9236 31.2215 179.2823 41 T 3.7356 7.5019 115.9882 66.6386 68.4469 176.2432 42 L 3.9351 7.7641 120.6566 58.5018 41.7221 178.9150 43 K 3.7847 8.3914 119.0428 59.8206 31.8175 178.3030 44 T 3.7904 8.2329 115.1813 66.8700 68.5073 175.9111 45 F 4.1007 8.1017 120.6284 61.4738 39.5542 176.7533 46 L 3.9159 8.4689 118.5297 57.9800 41.2759 179.4024 47 E 4.6934 8.3673 118.5519 58.6163 29.3973 178.6220 48 L 3.9986 7.5831 120.0615 57.4213 43.3742 178.1666 49 Q 4.2052 7.2561 116.2870 54.8580 27.3973 174.3967 50 G 4.1080 7.6445 114.8684 46.9700 0.0000 172.6777 51 L 4.0220 7.3490 120.4159 53.8484 42.6118 176.2297 52 E 4.8733 8.4338 116.6535 54.4642 32.3586 174.7620 53 A 4.6623 8.6516 124.2756 50.8389 20.8647 175.8261 54 R 4.6363 8.6110 121.0868 56.4859 31.2311 176.8164 55 S 4.2626 7.6029 112.0371 55.2985 66.6115 173.1608 56 P 3.7848 0.0000 0.0000 65.9769 30.9971 178.5627 57 R 3.8674 7.9443 116.2277 59.7632 29.8617 178.1779 58 A 4.0636 7.6879 118.6270 55.0483 18.3468 179.5093 59 A 4.0808 8.0938 119.4418 55.1941 18.4291 179.8904 60 I 3.0960 7.8873 118.7181 64.3743 37.3682 178.3286 61 R 4.2644 8.4870 119.9783 59.6402 29.7595 178.6780 62 G 3.5811 8.6103 105.2633 47.9482 0.0000 175.4229 63 A 4.0453 7.9436 124.0650 54.5325 18.0288 179.6791 64 F 4.6125 8.0270 116.9905 60.2401 39.3715 177.6585 65 Q 4.2653 8.1278 116.9086 59.2969 28.3604 179.4264 66 V 3.8449 7.7662 117.0496 61.2543 30.6100 176.6627 67 G 3.6021 7.8448 113.7818 44.0448 0.0000 179.7107 68 L 2.6406 7.3328 117.6748 54.2235 46.1650 175.6624 69 L 4.4096 5.7143 117.7369 53.1789 43.3502 174.8607 70 P 4.5937 0.0000 0.0000 62.0975 32.1187 174.5668 71 E 3.2729 8.5963 122.2643 56.1689 28.9216 175.7637 72 D 4.8224 8.3866 122.4403 50.8155 43.0446 174.4098 73 P 4.4993 0.0000 0.0000 65.2227 31.1226 177.8020 74 F 4.2746 9.0732 121.4696 60.8931 38.9922 176.8175 75 W 4.1606 8.3622 118.2904 59.9338 29.2116 178.1509 76 L 4.3325 7.9581 117.6017 57.4330 41.0450 179.0049 77 E 4.1455 7.7666 117.8355 56.5382 28.7920 178.0029 *79 L 3.8686 8.0571 120.6925 54.5680 44.1866 178.5741 80 E 3.7925 7.9718 117.5079 59.4175 29.3055 179.2651 81 L 3.9469 7.6253 118.4726 57.9258 41.4470 179.5280 82 R 3.9627 7.5119 118.0579 59.3672 29.5575 177.7286 83 N 4.3512 7.7622 113.9743 54.8188 38.7731 176.4474 84 L 4.3736 8.2583 120.9703 56.2405 41.5286 178.6593 85 T 3.9158 7.3663 109.9019 64.7385 68.5156 175.0339 86 N 4.6164 8.0810 116.3652 54.0260 38.1050 174.9258 87 H 4.5996 9.5426 116.5799 55.9013 29.0431 176.1708 88 T 3.8600 7.5119 107.1689 62.4865 67.9282 175.7991 89 Y 3.9156 7.1880 121.3373 59.2566 38.2870 175.5388 90 D 4.5844 6.9581 121.0855 52.7786 40.5086 176.1733 91 E 3.9698 8.7377 127.5226 59.2390 29.2839 179.2168 92 A 3.9593 7.9547 120.5336 55.0121 18.6555 179.2261 93 L 3.8164 9.0474 119.1066 57.9497 42.0277 179.0981 94 A 3.9633 7.6703 120.5396 55.2170 18.3661 179.4721 95 E 3.8939 7.9639 116.6223 59.5916 29.3191 179.5702 96 R 3.9278 8.0354 117.8107 59.2211 30.2755 178.4150 97 I 3.8732 7.5917 119.5174 64.3512 37.2019 177.6122 98 Y 3.8981 8.1955 119.9311 60.4356 38.2600 177.9794 99 A 4.1958 8.0042 120.8752 54.1902 18.7704 178.2806 100 E 4.3847 8.0026 115.5625 56.5728 30.4011 177.9173 101 L 3.6479 7.0873 118.6251 57.4023 41.3923 177.4893 102 P 4.1230 0.0000 0.0000 65.3709 31.4367 178.5594 103 K 3.8517 7.7123 116.5466 59.2880 32.1093 178.8773 104 A 3.7630 7.8806 121.0044 55.2413 18.0744 179.4489 105 L 4.1140 8.1892 119.0041 58.3716 42.2556 179.0825 106 E 3.9278 8.1469 118.7457 59.3603 29.2976 179.5984 107 R 3.8583 7.5041 117.6682 59.0456 30.0482 178.9070 108 F 4.6019 7.7005 117.5995 60.9375 38.8601 177.7925 109 Q 4.0878 8.4876 117.6546 58.6841 28.3301 178.7782 110 E 3.9683 8.0723 120.1815 59.2041 29.8181 178.3860 111 L 4.0026 8.3014 120.4782 58.2961 41.9147 178.8227 112 L 4.0303 8.0291 117.8788 57.9731 41.7704 179.5208 113 R 4.0438 7.7437 117.9473 59.4768 29.8979 179.2590 114 R 3.9963 8.0424 117.0174 59.2124 30.0661 178.5632 115 L 4.0225 7.6304 115.3181 54.4849 41.3444 176.8841 116 E 4.1331 8.1855 125.4532 57.0007 30.1054 174.2599 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 2 A 8.26 4.19 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 3 S 8.05 4.44 0.00 3.95 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 4 L 8.75 3.88 0.00 1.75 1.61 0.81 0.97 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 5 A 8.08 3.99 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 6 R 8.16 3.95 0.00 1.96 1.92 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 7 A 7.81 4.24 1.53 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 0.00 0.00 8 V 7.97 3.47 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 1.08 0.00 0.00 0.95 0.00 0.00 9 E 8.02 3.98 0.00 2.11 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 2.35 2.40 0.00 10 R 8.15 4.06 0.00 2.31 2.16 0.00 3.21 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 11 L 7.88 3.94 0.00 1.75 1.86 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.45 3.80 0.00 1.85 2.00 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 13 A 8.00 3.97 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 14 A 7.71 4.14 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 15 L 7.82 4.13 0.00 1.91 1.72 0.65 0.69 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 16 E 7.88 4.29 0.00 1.98 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 2.33 2.55 0.00 17 R 6.86 4.09 0.00 2.05 1.92 0.00 3.36 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 18 P 0.00 4.44 0.00 2.19 2.10 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 19 K 8.53 3.76 0.00 1.66 1.71 0.00 0.61 0.00 0.00 1.41 0.00 0.00 2.51 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.21 1.10 7.81 20 D 8.11 4.57 0.00 2.93 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 21 E 8.48 3.70 0.00 1.87 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 1.86 1.47 0.00 22 F 7.56 4.14 0.00 3.23 3.17 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 23 I 8.77 4.07 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 1.02 0.00 0.00 24 R 8.35 3.91 0.00 1.73 1.86 0.00 3.02 0.00 0.00 3.07 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.00 25 D 8.52 4.45 0.00 2.78 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 26 S 8.50 4.39 0.00 4.14 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 0.00 27 A 8.32 3.98 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.75 2.14 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 1.60 0.89 1.01 0.00 0.00 29 Q 8.55 3.98 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 30 R 8.18 2.78 0.00 1.93 1.66 0.00 3.31 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 31 F 8.37 4.29 0.00 3.03 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 32 E 7.99 3.48 0.00 2.02 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 2.33 2.23 0.00 33 F 7.67 4.42 0.00 3.26 3.34 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 34 T 7.26 3.93 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 0.29 0.00 0.00 35 F 7.93 4.15 0.00 3.00 3.01 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 36 E 8.54 4.37 0.00 2.34 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 0.00 2.41 2.46 0.00 37 L 7.89 3.94 0.00 1.82 1.64 0.91 1.24 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 38 A 7.89 3.91 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 39 W 8.19 4.09 0.00 3.50 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 40 K 7.05 2.87 0.00 1.47 1.49 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.45 1.24 7.81 41 T 7.50 3.74 4.37 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 1.14 0.00 0.00 42 L 7.76 3.94 0.00 1.89 1.69 0.54 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.39 3.78 0.00 1.69 1.72 0.00 1.18 0.00 0.00 1.36 0.00 0.00 3.32 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.69 7.81 44 T 8.23 3.79 4.35 0.00 0.00 0.00 0.00 0.00 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 45 F 8.10 4.10 0.00 2.93 3.27 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 46 L 8.47 3.92 0.00 1.89 1.68 1.00 1.02 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 47 E 8.37 4.69 0.00 1.96 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 2.34 2.34 0.00 48 L 7.58 4.00 0.00 1.74 1.52 0.88 0.68 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 49 Q 7.26 4.21 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 50 G 7.64 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 0.00 0.00 0.00 51 L 7.35 4.02 0.00 1.81 1.64 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.43 4.87 0.00 2.02 1.86 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 2.17 2.30 0.00 53 A 8.65 4.66 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 54 R 8.61 4.64 0.00 1.84 2.01 0.00 3.28 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 55 S 7.60 4.26 0.00 3.80 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 56 P 0.00 3.78 0.00 1.86 1.87 0.00 3.03 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 57 R 7.94 3.87 0.00 1.86 1.91 0.00 3.18 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 58 A 7.69 4.06 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 A 8.09 4.08 1.58 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 0.00 0.00 60 I 7.89 3.10 2.01 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.02 0.56 0.00 0.00 61 R 8.49 4.26 0.00 2.14 2.00 0.00 3.37 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 62 G 8.61 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 0.00 0.00 0.00 63 A 7.94 4.05 1.07 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 64 F 8.03 4.61 0.00 3.28 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 65 Q 8.13 4.27 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.06 0.00 0.00 0.00 0.00 0.00 2.72 2.43 0.00 66 V 7.77 3.84 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 0.89 0.00 0.00 0.96 0.00 0.00 67 G 7.84 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.33 2.64 0.00 1.65 1.80 0.54 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 L 5.71 4.41 0.00 1.33 1.48 -0.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.59 0.00 2.28 2.13 0.00 3.98 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 2.17 2.09 0.00 71 E 8.60 3.27 0.00 1.92 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 2.24 2.20 0.00 72 D 8.39 4.82 0.00 3.10 3.16 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 73 P 0.00 4.50 0.00 2.36 2.31 0.00 3.83 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 2.17 2.06 0.00 74 F 9.07 4.27 0.00 3.16 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 75 W 8.36 4.16 0.00 3.54 3.34 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 76 L 7.96 4.33 0.00 2.01 1.79 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.77 4.15 0.00 1.81 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 2.07 2.15 0.00 *79 L 8.06 3.87 0.00 2.07 1.94 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.97 3.79 0.00 2.05 1.93 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 2.49 2.46 0.00 81 L 7.63 3.95 0.00 1.73 1.71 0.71 0.57 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 82 R 7.51 3.96 0.00 1.20 1.60 0.00 2.99 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.00 83 N 7.76 4.35 0.00 2.84 2.83 0.00 0.00 6.99 7.74 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 84 L 8.26 4.37 0.00 1.79 1.68 0.88 0.40 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 85 T 7.37 3.92 4.29 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 1.33 0.00 0.00 86 N 8.08 4.62 0.00 2.83 2.97 0.00 0.00 5.93 7.90 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 87 H 9.54 4.60 0.00 3.27 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.51 3.86 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 1.25 0.00 0.00 89 Y 7.19 3.92 0.00 3.12 3.14 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 90 D 6.96 4.58 0.00 2.54 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 91 E 8.74 3.97 0.00 2.02 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 2.38 0.00 92 A 7.95 3.96 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 93 L 9.05 3.82 0.00 1.68 1.85 0.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.67 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.89 0.00 2.16 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 2.46 2.40 0.00 96 R 8.04 3.93 0.00 1.98 2.04 0.00 3.22 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 97 I 7.59 3.87 2.01 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 1.37 0.71 0.82 0.00 0.00 98 Y 8.20 3.90 0.00 2.99 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 99 A 8.00 4.20 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 0.00 100 E 8.00 4.38 0.00 1.88 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 2.35 2.45 0.00 101 L 7.09 3.65 0.00 1.26 1.46 0.78 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.12 0.00 1.87 2.00 0.00 3.52 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 103 K 7.71 3.85 0.00 1.53 1.08 0.00 1.19 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.26 7.81 104 A 7.88 3.76 1.19 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 0.00 0.00 105 L 8.19 4.11 0.00 1.88 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.15 3.93 0.00 2.06 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 2.26 2.45 0.00 107 R 7.50 3.86 0.00 1.02 0.93 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 108 F 7.70 4.60 0.00 3.29 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 0.00 109 Q 8.49 4.09 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 110 E 8.07 3.97 0.00 2.25 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 0.00 2.45 2.48 0.00 111 L 8.30 4.00 0.00 2.12 2.11 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.03 4.03 0.00 1.87 1.75 0.96 0.88 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 R 7.74 4.04 0.00 2.05 1.99 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 114 R 8.04 4.00 0.00 1.75 1.94 0.00 3.20 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 115 L 7.63 4.02 0.00 1.73 1.61 0.85 0.34 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 0.00 116 E 8.19 4.13 0.00 2.07 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 2.25 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.