NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7129 8.1476 118.3406 55.4541 33.7160 173.2150 2 I 4.9017 8.6180 111.2792 59.0620 41.6692 172.4842 3 I 5.0028 8.8078 123.5460 59.5191 40.8211 176.1127 4 V 4.8990 9.0610 126.2116 61.2767 34.4560 173.3220 5 Y 5.3932 9.2132 129.3612 56.3170 41.2746 174.2445 6 T 5.3330 8.4185 119.7133 60.3720 71.7871 171.9309 7 T 4.8780 7.7778 112.7255 59.7756 72.0159 173.0151 8 F 4.6327 8.8337 120.8659 54.8861 42.8752 174.5078 9 P 4.3244 0.0000 0.0000 65.0291 31.9485 175.8932 10 D 4.4438 7.2223 117.6579 51.4404 42.8439 176.1490 11 W 3.9865 8.5384 119.1117 59.3078 29.0571 178.4478 12 E 3.9303 8.2550 119.4062 59.3782 29.1316 178.9532 13 S 3.9514 8.6329 114.3831 61.1029 63.1250 175.9255 14 A 2.0000 7.2794 124.1053 54.4986 17.9739 179.5793 15 E 3.8669 8.1879 116.9287 59.0946 29.6252 179.5348 16 K 3.8166 7.7526 119.5175 59.4564 32.3178 179.0703 17 V 3.5020 7.7578 118.7715 66.0771 31.5228 178.1931 18 V 3.6335 7.6151 117.9679 65.9419 31.3235 178.1619 19 K 4.0616 8.2970 118.4201 59.4675 31.8242 179.6004 20 T 3.8892 7.6980 115.9114 66.5872 68.3115 176.8319 21 L 4.0324 8.0349 120.9163 57.6831 41.4978 179.6815 22 L 3.9813 8.0729 119.0095 57.7784 41.3990 179.6486 23 K 3.9690 8.0272 117.2811 59.0362 32.0294 178.2559 24 E 4.3062 7.9563 116.0603 55.2247 30.0188 176.2444 25 R 3.8459 8.0544 118.0504 57.2177 28.3468 177.9543 26 L 4.2452 8.1118 118.1469 56.0072 42.3054 177.2020 27 I 4.6426 7.3126 109.7628 59.3283 40.4473 174.4534 28 A 4.2962 8.4605 121.6268 52.3109 19.7047 176.9304 *30 A 4.4584 7.7973 116.4538 51.7109 20.1889 175.9578 31 N 5.0701 9.3288 118.5827 51.5223 41.7465 173.4727 32 L 5.5004 8.7363 123.8428 53.0136 44.4453 176.1465 33 R 5.0037 8.6557 118.1023 54.9722 33.0458 174.5082 34 E 4.7841 9.0874 120.6929 57.2413 30.6584 175.2818 35 H 4.8547 8.7393 115.6851 55.2373 32.5836 172.4381 36 R 4.8496 8.7682 118.0779 54.6876 31.5267 175.8446 37 A 4.8709 9.3079 126.8688 50.8184 21.1821 175.7378 38 F 5.2481 8.7598 119.2756 55.9320 41.9731 173.9976 39 Y 4.7757 8.1746 120.0297 55.8530 41.6948 173.4688 40 W 4.9215 8.9952 120.2953 56.4652 30.2768 176.4895 41 W 5.0089 10.1480 133.7554 57.6191 33.3461 174.3594 42 E 3.3030 9.1622 127.6170 57.4933 26.1407 175.5586 43 G 3.9619 9.3748 102.8892 45.3441 0.0000 172.2930 44 K 4.9391 7.8195 117.8753 55.5257 36.6820 175.0580 45 I 3.9527 8.0625 122.0144 60.8745 37.6001 175.5233 46 E 4.2514 9.3645 128.6705 55.0594 31.3095 175.0280 47 E 4.4056 8.3419 124.2550 54.2349 31.7013 174.4485 48 D 4.7632 8.9863 126.7618 52.1773 44.7268 174.2630 49 K 4.6377 8.7500 127.4821 56.5686 33.3061 175.3487 50 E 4.7982 9.1619 125.5705 54.7770 34.9424 174.1655 51 V 4.0491 8.4918 120.4497 61.1236 33.4686 174.9957 52 G 4.2753 8.9485 116.2235 45.6682 0.0000 171.7879 53 A 5.3793 8.7517 123.7293 50.0434 22.5997 174.9458 54 I 4.9134 9.1253 124.4055 59.8942 39.2411 174.8544 55 L 5.1758 9.3828 127.6793 52.8857 44.7809 175.7204 56 K 5.1561 8.4440 120.8049 55.3059 35.8229 175.3248 57 T 4.7967 8.3173 117.5006 61.7049 71.5628 172.5466 58 R 4.5891 8.4807 120.0097 55.4875 31.4306 177.6905 59 E 4.0522 8.8108 120.3795 59.6493 29.6040 178.8987 60 D 4.6298 8.1141 115.7059 54.8900 39.8682 177.0166 61 L 4.5049 7.8602 119.5841 54.3750 42.0095 177.5460 62 W 4.6447 8.0474 129.6438 61.0257 30.5868 177.4636 63 E 3.4179 8.1511 117.4139 59.3415 29.0196 178.9816 64 E 3.8520 7.9956 118.6995 59.0696 29.6971 178.4480 65 L 3.9056 8.2743 120.9070 57.8684 42.2766 178.7922 66 K 3.5299 7.8785 119.9901 59.3402 32.0625 178.4077 67 E 3.8202 7.9001 119.5734 59.2072 29.4281 178.7730 68 R 3.8929 7.9873 118.8284 59.3398 30.0261 178.5862 69 I 3.7586 7.9467 119.9060 64.2054 36.8482 178.4377 70 K 3.9293 7.6729 118.1716 59.6596 31.9807 179.0342 71 E 4.0937 8.0190 117.2967 58.5741 29.3717 178.4001 72 L 4.4555 7.3324 117.2643 54.8420 43.2066 176.8158 73 H 4.1837 8.0266 119.2481 55.4628 30.1961 173.6057 74 P 4.4153 0.0000 0.0000 64.9744 31.7239 176.1422 75 Y 4.7200 7.7676 116.7072 57.1496 38.9413 174.9783 76 D 4.4445 8.9145 123.7145 56.9111 41.5696 176.8915 77 V 4.2351 7.2725 119.3391 60.0657 31.2426 172.7514 78 P 4.4425 0.0000 0.0000 61.3238 32.9736 176.1404 79 A 4.3056 8.1170 120.9809 51.5039 20.0049 176.5442 80 I 4.4099 8.4165 123.3216 59.3263 38.6847 173.1917 81 I 4.4482 8.9451 126.8547 59.5053 39.2157 174.2479 82 R 4.5971 8.3573 127.7490 54.7420 31.3913 175.3055 83 I 4.4524 8.4551 126.7268 59.2645 40.4686 174.7281 84 D 4.5980 8.6907 127.4840 54.3215 41.6074 176.1215 85 V 4.0319 8.1093 123.0923 61.9271 31.7488 175.9330 86 D 4.4812 8.8988 128.3198 57.3285 41.1363 175.8564 87 D 4.6396 7.6280 114.6455 53.6398 43.8743 174.3860 88 V 4.5403 7.9334 121.7133 58.7890 34.4778 174.3668 89 N 4.4640 8.6543 119.7710 53.0652 38.8279 175.6300 90 E 4.0205 8.8987 123.4262 60.0875 29.7158 179.5098 91 D 4.4181 8.1704 118.1157 57.4763 40.8006 178.1672 92 Y 4.0458 8.0500 119.6750 60.5932 38.8848 177.4403 93 L 4.0818 8.1308 120.9859 58.1607 42.1888 179.0973 94 K 3.9720 8.4176 118.6311 59.0944 31.9409 179.1370 95 W 4.2103 8.2079 128.6075 60.3901 30.2099 177.6948 96 L 2.9993 8.1449 120.5611 58.0391 41.2350 179.0720 97 I 3.6960 7.6180 118.6993 64.3598 37.0798 178.0034 98 E 4.0338 7.9218 118.5823 59.1618 29.4025 178.5643 99 E 4.0005 7.7227 116.3837 56.5848 29.9925 176.4868 100 T 4.7806 6.3593 108.4809 59.1729 71.1436 174.8703 101 K 4.0771 8.6570 123.3942 57.3841 33.2822 176.9848 102 K 4.2495 8.3095 121.1998 56.6744 32.7398 176.1055 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 8.15 4.71 0.00 2.19 2.52 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 I 8.62 4.90 1.77 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 1.43 0.88 0.88 0.00 0.00 3 I 8.81 5.00 1.88 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 1.14 1.07 0.97 0.00 0.00 4 V 9.06 4.90 2.25 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 1.21 0.00 0.00 1.22 0.00 0.00 5 Y 9.21 5.39 0.00 2.93 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 6 T 8.42 5.33 4.10 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 0.93 0.00 0.00 7 T 7.78 4.88 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 0.96 0.00 0.00 8 F 8.83 4.63 0.00 2.71 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 9 P 0.00 4.32 0.00 2.19 2.31 0.00 3.55 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 10 D 7.22 4.44 0.00 2.95 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 11 W 8.54 3.99 0.00 3.40 3.28 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 12 E 8.25 3.93 0.00 2.05 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 2.36 0.00 13 S 8.63 3.95 0.00 3.93 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 14 A 7.28 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.19 3.87 0.00 2.12 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 2.46 2.67 0.00 16 K 7.75 3.82 0.00 1.90 1.89 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 17 V 7.76 3.50 1.78 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 1.07 0.00 0.00 0.91 0.00 0.00 18 V 7.62 3.63 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 1.01 0.00 0.00 0.97 0.00 0.00 19 K 8.30 4.06 0.00 1.88 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 20 T 7.70 3.89 4.39 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 1.20 0.00 0.00 21 L 8.03 4.03 0.00 1.87 1.74 0.99 0.44 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 22 L 8.07 3.98 0.00 1.87 1.72 0.99 1.03 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 23 K 8.03 3.97 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 24 E 7.96 4.31 0.00 1.95 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 2.30 2.47 0.00 25 R 8.05 3.85 0.00 1.94 1.98 0.00 3.07 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 26 L 8.11 4.25 0.00 1.75 1.72 0.96 0.99 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 27 I 7.31 4.64 2.05 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 1.37 0.62 0.97 0.00 0.00 28 A 8.46 4.30 0.72 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 0.00 0.00 *30 A 7.80 4.46 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 31 N 9.33 5.07 0.00 2.72 2.80 0.00 0.00 6.70 6.41 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 32 L 8.74 5.50 0.00 1.70 1.44 0.99 0.90 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 33 R 8.66 5.00 0.00 1.98 2.11 0.00 3.05 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 34 E 9.09 4.78 0.00 2.05 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 2.83 0.00 35 H 8.74 4.85 0.00 3.31 3.47 0.00 5.43 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.77 4.85 0.00 1.91 1.83 0.00 3.28 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 37 A 9.31 4.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.76 5.25 0.00 2.81 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 39 Y 8.17 4.78 0.00 3.09 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 40 W 9.00 4.92 0.00 3.33 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 41 W 10.15 5.01 0.00 3.29 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 42 E 9.16 3.30 0.00 1.77 1.66 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 1.47 1.47 0.00 43 G 9.37 3.96 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 0.00 0.00 0.00 44 K 7.82 4.94 0.00 1.83 1.97 0.00 1.33 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 45 I 8.06 3.95 1.59 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.69 0.00 0.00 46 E 9.36 4.25 0.00 1.16 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 2.32 2.42 0.00 47 E 8.34 4.41 0.00 1.43 1.54 0.00 0.00 0.00 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 48 D 8.99 4.76 0.00 2.76 2.67 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 0.00 0.00 0.00 49 K 8.75 4.64 0.00 1.82 1.70 0.00 1.82 0.00 0.00 2.08 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.60 7.81 50 E 9.16 4.80 0.00 1.63 1.82 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 2.28 2.26 0.00 51 V 8.49 4.05 1.63 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 -0.11 0.00 0.00 -0.18 0.00 0.00 52 G 8.95 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 0.00 0.00 0.00 53 A 8.75 5.38 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 I 9.13 4.91 2.00 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 1.45 1.00 1.01 0.00 0.00 55 L 9.38 5.18 0.00 1.65 1.65 1.03 0.80 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 56 K 8.44 5.16 0.00 1.88 1.88 0.00 2.05 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.54 7.81 57 T 8.32 4.80 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 1.32 0.00 0.00 58 R 8.48 4.59 0.00 1.96 1.94 0.00 3.18 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 59 E 8.81 4.05 0.00 2.05 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 2.40 2.36 0.00 60 D 8.11 4.63 0.00 2.81 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 61 L 7.86 4.50 0.00 1.96 1.76 0.97 0.54 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 62 W 8.05 4.64 0.00 3.38 3.19 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 63 E 8.15 3.42 0.00 1.96 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 2.46 2.32 0.00 64 E 8.00 3.85 0.00 1.99 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 2.34 2.32 0.00 65 L 8.27 3.91 0.00 1.83 1.88 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.88 3.53 0.00 0.79 1.17 0.00 1.54 0.00 0.00 0.97 0.00 0.00 2.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.12 1.05 7.81 67 E 7.90 3.82 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 2.24 2.25 0.00 68 R 7.99 3.89 0.00 2.06 2.00 0.00 3.36 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 69 I 7.95 3.76 1.96 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 1.57 0.70 0.92 0.00 0.00 70 K 7.67 3.93 0.00 1.90 1.84 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.63 7.81 71 E 8.02 4.09 0.00 2.11 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 2.32 2.62 0.00 72 L 7.33 4.46 0.00 1.59 1.71 0.92 1.50 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 73 H 8.03 4.18 0.00 3.34 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.42 0.00 2.14 2.11 0.00 3.49 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 1.57 1.83 0.00 75 Y 7.77 4.72 0.00 2.79 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 76 D 8.91 4.44 0.00 2.65 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 77 V 7.27 4.24 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 0.88 0.00 0.00 0.91 0.00 0.00 78 P 0.00 4.44 0.00 1.80 1.44 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 79 A 8.12 4.31 1.21 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 0.00 0.00 80 I 8.42 4.41 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 1.00 0.00 0.00 81 I 8.95 4.45 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.94 0.00 0.00 82 R 8.36 4.60 0.00 0.67 0.89 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.01 0.00 83 I 8.46 4.45 1.82 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 1.16 0.50 0.86 0.00 0.00 84 D 8.69 4.60 0.00 2.48 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.03 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 0.77 0.00 0.00 0.95 0.00 0.00 86 D 8.90 4.48 0.00 2.70 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 87 D 7.63 4.64 0.00 2.58 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 88 V 7.93 4.54 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 0.86 0.00 0.00 1.04 0.00 0.00 89 N 8.65 4.46 0.00 2.98 3.01 0.00 0.00 6.06 7.66 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 90 E 8.90 4.02 0.00 2.07 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 2.44 2.45 0.00 91 D 8.17 4.42 0.00 2.75 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 92 Y 8.05 4.05 0.00 3.04 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 93 L 8.13 4.08 0.00 1.98 1.91 0.99 0.64 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 94 K 8.42 3.97 0.00 2.06 1.89 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.81 7.81 95 W 8.21 4.21 0.00 3.34 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 96 L 8.14 3.00 0.00 1.54 1.73 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.62 3.70 1.96 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 1.50 0.78 0.87 0.00 0.00 98 E 7.92 4.03 0.00 1.94 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 2.31 2.64 0.00 99 E 7.72 4.00 0.00 1.17 1.60 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 1.60 1.52 0.00 100 T 6.36 4.78 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 1.13 0.00 0.00 101 K 8.66 4.08 0.00 1.73 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.41 7.81 102 K 8.31 4.25 0.00 1.57 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.