NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7309 8.3049 120.2816 55.4024 33.6673 174.1014 2 R 4.4582 8.6768 118.8046 53.5848 34.9627 172.5775 3 R 4.8771 8.8546 122.6301 55.3088 32.3829 174.3911 4 Y 5.2613 9.3462 123.0915 56.2322 42.9305 174.0210 5 E 4.7986 9.2976 120.2873 54.6593 32.5588 175.4046 6 V 4.4969 8.7470 125.7828 61.3807 33.5995 174.0884 7 N 5.4258 9.3667 127.0162 51.9282 40.4126 174.1290 8 I 4.9404 8.7676 125.0137 59.3244 40.7890 174.7392 9 V 4.2825 8.6999 126.8161 61.0354 33.6414 174.6704 10 L 5.2188 8.8286 127.6221 52.3342 45.5810 175.2173 11 N 4.6210 8.8676 119.4747 54.0538 39.1605 173.9328 12 P 4.5951 0.0000 0.0000 64.7282 31.8894 176.4514 13 N 4.7180 8.8729 116.0799 53.1228 38.7198 175.2143 14 L 4.2945 7.2509 118.1335 54.6221 42.3455 176.1617 15 D 4.8900 8.3268 120.3835 51.2222 43.1362 177.2106 16 Q 3.8425 8.3993 117.7715 59.4295 28.6880 179.6147 17 S 4.0685 8.0924 112.9864 61.9778 62.4318 176.3976 18 Q 4.0462 8.9434 120.5614 58.7137 28.2792 178.2009 19 L 3.8508 8.1935 122.0325 57.7743 41.9587 178.4597 20 A 3.9639 8.0226 120.9998 55.2779 18.5549 179.2853 21 L 4.0157 7.8063 118.1307 58.4772 42.2195 178.7481 22 E 3.9795 8.1846 118.4581 59.7154 29.4669 179.6964 23 K 4.2125 8.3009 119.6313 58.7206 31.9622 179.0785 24 E 3.9267 8.2709 119.5882 59.4035 29.7206 178.7448 25 I 3.6948 7.7601 119.2871 64.4628 37.1889 178.2655 26 I 3.6048 8.0735 120.7772 64.3985 36.9654 178.1957 27 Q 3.8539 8.0717 120.1772 59.4598 28.7159 178.6984 28 R 4.1172 8.1845 117.7430 58.9603 30.4228 178.7087 29 A 4.1274 8.1359 120.6343 54.9337 18.4152 179.3991 30 A 3.9678 7.8885 119.2665 55.6228 18.5724 179.7685 31 E 4.4880 8.1074 118.0562 58.8037 29.2163 179.1871 32 N 4.3031 7.8314 116.0089 55.8621 38.8980 175.3996 33 Y 4.5134 8.1500 116.7999 57.3875 38.5131 176.6109 34 G 3.9225 8.0925 107.8887 45.1476 0.0000 174.4167 35 A 4.3174 7.7251 122.7844 52.0437 19.3121 176.8038 36 R 4.6847 8.7408 121.0248 54.2745 32.1280 175.9964 37 V 3.8263 8.4030 125.4568 62.9751 31.2480 175.3839 38 E 4.4051 9.2482 129.2547 58.4320 30.6319 177.1559 39 K 4.5699 7.6291 118.2779 55.2498 35.8197 174.4860 40 V 4.6129 8.3823 126.0317 60.9978 34.2629 174.1031 41 E 4.6613 9.3108 128.2198 54.5247 33.3203 173.7310 42 E 4.7249 8.8372 126.2164 55.5597 29.8813 175.9809 43 L 4.0297 8.8245 125.5047 55.1914 42.9478 177.6154 44 G 3.2904 7.3246 104.9128 43.4812 0.0000 171.5403 45 L 4.7736 7.9425 118.2967 54.8696 42.2470 177.0900 46 R 4.5759 8.8926 121.0873 54.3640 35.1409 174.3640 47 R 4.6436 8.3723 121.6013 55.0028 29.7247 176.0772 48 L 4.2108 8.8434 127.3343 54.8918 42.3666 178.8366 49 A 4.2094 8.5554 124.5863 55.0922 18.7157 177.6846 50 Y 4.9503 6.6556 108.4181 54.7988 41.0563 173.1459 51 P 4.5602 0.0000 0.0000 62.8454 32.0978 175.9679 52 I 4.4555 8.1347 121.9933 60.4630 39.6951 175.6868 53 A 3.3979 9.0776 128.9129 53.7036 15.3816 176.9429 54 K 3.8882 8.4129 114.0822 58.4065 30.1643 175.4545 55 D 4.6658 7.7639 116.4460 52.0199 43.5341 173.5701 56 P 4.6480 0.0000 0.0000 64.0503 32.3567 175.5842 57 Q 5.2211 8.4953 119.5363 54.6891 31.8180 175.1118 58 G 4.2748 8.6895 106.7116 45.4511 0.0000 171.2358 59 Y 5.0976 8.8287 124.0486 55.9852 40.5669 174.3992 60 F 5.0931 8.9357 126.2718 56.5346 41.0240 174.9089 61 L 5.2989 9.1122 122.8106 52.6945 45.5155 175.2745 62 W 5.4867 9.1904 132.0619 55.8889 33.7126 173.4540 63 Y 4.8286 8.5221 124.0199 55.9938 41.4546 174.0557 64 Q 4.5501 8.6566 125.2717 54.3895 31.2373 174.7166 65 V 5.0586 8.7284 118.8154 59.5873 36.8955 174.0163 66 E 5.2528 8.7900 122.9442 54.7875 32.1583 174.5832 67 M 5.1345 9.2788 123.3178 53.2841 35.7048 172.5572 68 P 4.6689 0.0000 0.0000 62.6792 32.0102 177.6476 69 E 4.1239 9.0236 121.8798 59.6500 29.2638 178.9001 70 D 4.4469 8.1773 118.0857 56.0414 41.2783 177.4110 71 R 4.4920 7.6404 116.8357 55.6108 30.7737 177.9147 72 V 3.2742 7.2974 119.9449 66.0717 31.4596 177.2533 73 N 4.1139 7.9719 116.1180 56.7598 38.6531 176.2995 74 D 4.1472 7.7804 119.4083 57.2242 41.0030 178.3373 75 A 3.0488 6.8982 120.3875 54.6898 18.2590 179.5776 76 A 3.7635 7.8093 119.2386 55.1470 18.2417 179.7535 77 R 3.7488 7.7420 116.1462 59.5409 30.0461 177.8902 78 E 4.0655 8.1450 119.0258 59.4987 29.1372 178.9041 79 L 4.0786 7.9893 118.7951 57.6152 41.4274 179.4040 80 R 4.1052 7.8948 117.0116 58.0905 30.1179 178.1813 81 I 3.9509 7.2050 110.6759 61.5924 38.0287 176.6144 82 R 4.0269 7.1262 119.8079 56.5094 30.6296 177.3891 83 D 4.3632 8.7258 121.7262 57.6940 41.0722 177.4512 84 N 4.4622 8.0793 113.9511 53.9745 38.9667 174.2941 85 V 4.3446 7.1633 118.7374 61.9174 31.2202 175.8078 86 R 4.2269 9.2019 129.1732 58.9189 30.8986 177.3458 87 R 4.6060 7.4559 116.4233 55.1600 33.6314 173.9364 88 V 4.8513 8.2737 124.1703 61.3645 34.7038 174.1369 89 M 4.7218 9.3347 127.3946 53.8727 35.4091 173.6114 90 V 4.8890 8.5303 126.0132 61.2974 33.5044 174.9785 91 V 4.7294 8.5556 120.3552 59.0564 35.8990 174.9209 92 K 4.3687 8.7505 124.6221 56.2023 32.7967 176.5889 93 S 4.2748 8.5599 122.7437 59.1278 62.4839 173.1528 94 Q 4.5040 8.9847 124.6697 57.2300 30.2422 176.3239 95 E 4.5805 7.7116 117.3720 52.6838 30.0362 172.9274 96 P 4.6511 0.0000 0.0000 62.7125 32.0767 177.1755 97 F 4.1217 9.5673 120.5886 57.6100 39.5602 175.4440 98 L 4.1408 8.5382 125.2356 56.8815 42.3637 176.6860 *99 A 4.1104 7.7690 124.1957 52.4146 18.8106 176.1834 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 1 M 8.30 4.73 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 2 R 8.68 4.46 0.00 1.57 1.21 0.00 3.22 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 3 R 8.85 4.88 0.00 1.83 1.68 0.00 3.13 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 4 Y 9.35 5.26 0.00 2.80 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 5 E 9.30 4.80 0.00 2.01 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 0.00 2.35 2.36 0.00 6 V 8.75 4.50 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 0.94 0.00 0.00 0.82 0.00 0.00 7 N 9.37 5.43 0.00 2.82 2.89 0.00 0.00 6.36 7.34 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 8 I 8.77 4.94 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.91 0.00 0.00 9 V 8.70 4.28 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 0.63 0.00 0.00 -0.10 0.00 0.00 10 L 8.83 5.22 0.00 1.68 1.56 0.99 0.45 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 11 N 8.87 4.62 0.00 2.75 2.72 0.00 0.00 7.35 7.87 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 12 P 0.00 4.60 0.00 2.29 2.33 0.00 3.83 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 2.05 2.24 0.00 13 N 8.87 4.72 0.00 2.78 2.88 0.00 0.00 6.99 7.75 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 14 L 7.25 4.29 0.00 1.60 1.52 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.33 4.89 0.00 2.87 2.75 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 16 Q 8.40 3.84 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 17 S 8.09 4.07 0.00 3.87 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 18 Q 8.94 4.05 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 19 L 8.19 3.85 0.00 1.90 1.51 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.02 3.96 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 21 L 7.81 4.02 0.00 1.87 1.86 0.92 0.81 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 22 E 8.18 3.98 0.00 2.20 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 0.00 2.54 2.51 0.00 23 K 8.30 4.21 0.00 2.02 1.96 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.38 7.81 24 E 8.27 3.93 0.00 2.28 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 0.00 2.32 2.41 0.00 25 I 7.76 3.69 2.00 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 1.64 0.91 0.91 0.00 0.00 26 I 8.07 3.60 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.49 0.00 0.00 27 Q 8.07 3.85 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 28 R 8.18 4.12 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 29 A 8.14 4.13 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 30 A 7.89 3.97 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 31 E 8.11 4.49 0.00 2.18 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 2.49 2.30 0.00 32 N 7.83 4.30 0.00 2.86 2.65 0.00 0.00 7.12 6.85 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 33 Y 8.15 4.51 0.00 3.04 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 34 G 8.09 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 35 A 7.73 4.32 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 36 R 8.74 4.68 0.00 1.73 1.89 0.00 3.31 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 37 V 8.40 3.83 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 0.92 0.00 0.00 0.98 0.00 0.00 38 E 9.25 4.41 0.00 2.00 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 0.00 2.34 2.44 0.00 39 K 7.63 4.57 0.00 1.90 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.46 7.81 40 V 8.38 4.61 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 0.17 0.00 0.00 0.91 0.00 0.00 41 E 9.31 4.66 0.00 2.09 1.73 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 1.98 2.22 0.00 42 E 8.84 4.72 0.00 1.95 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 0.00 2.41 2.38 0.00 43 L 8.82 4.03 0.00 1.46 1.56 0.98 0.86 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 44 G 7.32 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 0.00 0.00 0.00 45 L 7.94 4.77 0.00 1.57 1.66 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.89 4.58 0.00 1.19 1.36 0.00 2.32 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.17 0.00 47 R 8.37 4.64 0.00 1.80 1.84 0.00 3.42 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 48 L 8.84 4.21 0.00 1.68 1.52 1.00 1.05 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 49 A 8.56 4.21 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 50 Y 6.66 4.95 0.00 3.02 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 51 P 0.00 4.56 0.00 2.14 2.07 0.00 3.77 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 2.09 2.16 0.00 52 I 8.13 4.46 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.99 0.00 0.00 53 A 9.08 3.40 1.37 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 0.00 0.00 54 K 8.41 3.89 0.00 1.92 1.91 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 55 D 7.76 4.67 0.00 2.67 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 56 P 0.00 4.65 0.00 2.18 2.30 0.00 3.72 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 2.09 2.02 0.00 57 Q 8.50 5.22 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 58 G 8.69 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 0.00 0.00 0.00 0.00 59 Y 8.83 5.10 0.00 3.20 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 60 F 8.94 5.09 0.00 2.85 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 61 L 9.11 5.30 0.00 1.71 1.65 1.11 0.78 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 62 W 9.19 5.49 0.00 3.35 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 63 Y 8.52 4.83 0.00 2.67 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 64 Q 8.66 4.55 0.00 1.56 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 65 V 8.73 5.06 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 0.63 0.00 0.00 0.97 0.00 0.00 66 E 8.79 5.25 0.00 2.05 1.79 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 2.21 2.34 0.00 67 M 9.28 5.13 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 68 P 0.00 4.67 0.00 2.24 2.07 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 69 E 9.02 4.12 0.00 2.35 2.39 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 2.42 2.45 0.00 70 D 8.18 4.45 0.00 2.69 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 71 R 7.64 4.49 0.00 1.92 2.05 0.00 3.19 0.00 0.00 3.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 72 V 7.30 3.27 1.80 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 0.52 0.00 0.00 0.52 0.00 0.00 73 N 7.97 4.11 0.00 2.73 2.71 0.00 0.00 7.11 8.49 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 74 D 7.78 4.15 0.00 2.55 2.59 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 75 A 6.90 3.05 0.85 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 76 A 7.81 3.76 1.22 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 77 R 7.74 3.75 0.00 1.89 1.91 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 78 E 8.14 4.07 0.00 2.12 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 0.00 2.35 2.40 0.00 79 L 7.99 4.08 0.00 1.78 1.63 0.75 0.76 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 80 R 7.89 4.11 0.00 1.76 1.96 0.00 3.13 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 81 I 7.20 3.95 1.86 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 1.78 0.52 0.94 0.00 0.00 82 R 7.13 4.03 0.00 1.96 1.89 0.00 3.28 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 83 D 8.73 4.36 0.00 2.66 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 84 N 8.08 4.46 0.00 2.75 2.83 0.00 0.00 6.70 7.68 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 85 V 7.16 4.34 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 0.74 0.00 0.00 0.95 0.00 0.00 86 R 9.20 4.23 0.00 1.72 1.92 0.00 3.41 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 87 R 7.46 4.61 0.00 1.77 1.57 0.00 3.11 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 88 V 8.27 4.85 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 0.76 0.00 0.00 0.88 0.00 0.00 89 M 9.33 4.72 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 90 V 8.53 4.89 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 0.65 0.00 0.00 0.80 0.00 0.00 91 V 8.56 4.73 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 0.75 0.00 0.00 1.06 0.00 0.00 92 K 8.75 4.37 0.00 1.83 1.75 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.21 7.81 93 S 8.56 4.27 0.00 3.97 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 94 Q 8.98 4.50 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 95 E 7.71 4.58 0.00 1.83 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 2.17 2.24 0.00 96 P 0.00 4.65 0.00 2.24 2.13 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 97 F 9.57 4.12 0.00 3.43 3.18 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 98 L 8.54 4.14 0.00 1.67 1.74 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *99 A 7.77 4.11 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 * Residues marked with a * may have inaccurate shift predictions.