NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3667 8.1927 115.4022 57.8152 64.1901 174.0254 2 I 3.2836 8.1888 126.6506 63.3041 37.7821 175.9231 3 Q 4.1169 8.0961 119.3927 57.5640 29.6334 176.0035 4 A 4.2537 7.8075 120.0987 52.5915 19.6219 177.4415 5 E 3.7109 7.4878 117.3759 55.4334 29.7003 178.0968 6 E 3.9025 8.3424 121.7636 58.3851 29.9563 177.5885 7 W 4.6311 7.1828 115.3717 56.8265 28.8870 174.7294 8 Y 5.1124 7.5785 121.8352 57.1598 38.0983 174.6384 9 F 4.3555 9.2929 126.2943 56.3092 40.4834 178.1355 10 G 3.2180 5.7096 110.6777 46.8673 0.0000 176.5273 11 K 4.7907 8.4892 118.9086 54.6505 30.5094 175.4312 12 I 4.5494 7.2290 114.3540 58.6111 40.7183 176.9844 13 T 4.3489 8.0265 112.4906 60.9319 71.0926 175.7654 14 R 3.7905 9.1843 121.5292 59.5951 30.0532 178.4718 15 R 3.8507 7.9286 118.0105 59.4704 30.0855 177.9479 16 E 3.9899 8.2289 119.3445 59.1735 29.6328 178.9149 17 S 4.1148 8.3414 114.5952 61.4557 62.9958 176.4226 18 E 3.9736 8.4182 122.4469 58.9585 28.9508 179.1139 19 R 3.8837 7.8530 117.9977 59.5068 30.2269 178.3146 20 L 4.1376 7.6747 117.4632 57.8254 41.7208 179.1874 21 L 4.1752 7.7083 117.5435 56.5471 42.4691 177.4105 22 L 4.3715 7.9104 120.0293 54.5097 41.3370 176.4308 23 N 4.8685 7.7010 117.0424 51.3739 40.9761 174.8927 24 A 4.0222 8.7096 128.3611 54.7616 18.5698 177.8654 25 E 4.2046 8.4641 114.0567 57.3541 30.0239 176.4900 26 N 4.5414 8.0502 118.2983 51.9086 38.8224 173.5162 27 P 4.5439 0.0000 0.0000 61.4091 32.7621 175.6452 28 R 3.8265 8.1363 117.8911 58.0724 30.4478 177.5708 29 G 4.1276 9.0386 109.4882 46.5056 0.0000 173.2155 30 T 4.7413 7.5679 117.5393 63.6622 69.6663 173.6529 31 F 5.5419 9.0607 120.4860 55.9501 42.2658 172.7126 32 L 4.7709 8.7368 117.3232 54.7784 43.9703 174.1981 33 V 5.0126 9.1750 120.5519 61.3488 34.2145 174.6246 34 R 5.0441 8.5037 122.2373 54.6103 33.6235 173.5227 35 E 4.5534 8.7772 118.7226 55.7667 30.3207 177.4323 36 S 4.3059 8.3228 117.8208 58.1462 63.1337 174.4694 37 E 4.1688 8.8729 126.8631 58.7542 29.4941 177.8537 38 T 4.3632 7.8000 106.0684 61.6143 71.1789 173.8645 39 T 4.2699 8.2225 120.2183 61.3771 68.4320 174.0896 40 K 4.0018 8.4712 128.5493 57.7088 32.5761 176.9966 41 G 3.7446 8.8682 112.8503 45.5965 0.0000 172.6560 42 A 4.8342 7.4680 121.6650 50.2844 22.5903 175.1644 43 Y 5.4140 8.1371 117.3465 56.3852 42.3365 175.2138 *45 L 4.5696 8.4112 125.4505 56.3196 43.9188 176.4918 46 S 5.1886 9.0993 123.1870 56.8870 65.2477 173.5011 47 V 5.0577 8.7412 124.6155 61.0232 34.7583 174.7262 48 S 4.9397 9.1828 122.6845 58.1977 64.9104 172.4328 49 D 5.2807 9.2621 120.8489 53.2697 45.6087 173.6130 50 F 5.5311 8.7207 121.3815 57.9506 42.3542 172.5247 51 D 4.7775 7.5993 124.0226 51.8329 42.6636 175.9894 52 N 4.4846 8.7770 115.8705 55.7723 38.8161 176.9501 53 A 4.0425 7.8681 120.7599 54.6537 18.7181 178.4975 54 K 4.1717 9.3114 114.1969 55.6193 33.9088 179.6261 55 G 3.1821 7.8783 108.2707 45.3457 0.0000 172.5188 56 L 4.9323 8.4947 125.5061 55.0595 42.9401 176.7753 57 N 5.1111 9.3072 122.8304 51.7106 41.5860 173.0549 58 V 4.8570 8.2307 118.1320 61.0257 34.2789 174.5449 59 K 4.5573 8.8964 126.2428 54.7890 35.6029 174.6903 60 H 5.1667 8.1335 118.7768 54.1874 31.7293 172.5205 61 Y 4.7879 8.6404 120.6661 55.9117 40.8146 175.1608 62 K 4.5186 8.7641 124.8934 55.9098 34.1620 175.1205 63 I 4.5836 9.0616 129.1884 60.0696 38.9110 175.1279 64 R 4.6463 8.8891 127.1580 54.7999 32.1068 175.5171 65 K 4.5680 8.1730 122.7102 54.5318 34.6460 175.7277 66 L 4.4639 8.7160 127.6854 53.9259 42.7833 177.6819 67 D 4.4491 8.4305 120.2444 56.9260 41.0466 178.1057 68 S 4.2165 7.9216 113.8774 59.7745 63.0405 174.4698 69 G 3.8681 8.2445 108.6816 45.7819 0.0000 173.3626 70 G 4.3763 7.9267 104.7983 43.9905 0.0000 172.7859 71 F 5.5321 9.2175 121.0226 55.8261 42.2355 174.2389 72 Y 5.1739 8.4767 118.1128 57.1637 40.9431 175.0649 73 I 4.2985 8.9883 120.7790 62.1453 38.5710 176.2875 74 T 4.7572 7.8152 114.4394 59.7096 69.3519 174.6772 75 S 2.9879 8.6429 123.0528 60.6300 62.9549 175.5642 76 R 3.9374 7.7256 118.5967 57.9099 30.1033 176.4382 77 T 4.1574 7.7825 113.5955 61.5250 69.5728 173.0301 78 Q 4.8654 7.7477 124.0717 53.8729 31.7973 175.2870 79 F 4.8251 8.7899 117.3470 55.7507 42.8265 176.2150 80 N 4.8525 8.3986 120.5441 55.6554 38.9084 175.9397 81 S 4.7977 7.7882 111.8809 55.8534 67.1352 174.6882 82 L 3.4385 7.4332 123.5240 58.0095 41.7621 178.8543 83 Q 4.2104 8.0285 117.6059 59.4030 28.6827 178.9664 84 Q 4.0355 8.2219 118.8331 58.6215 28.7062 178.5466 85 L 2.4400 7.5837 121.4617 57.5563 41.8669 179.2071 86 V 3.1931 7.4404 117.0561 65.7078 31.5013 177.5228 87 A 4.0346 7.8407 120.5520 55.1736 18.2367 178.9749 88 Y 3.8466 7.8524 118.0858 60.9693 38.8741 177.3740 89 Y 4.5007 7.6033 116.7795 58.6612 37.8409 177.1776 90 S 4.6902 7.2827 117.2241 58.7304 63.3098 174.6206 91 K 4.3274 7.6336 119.3144 56.1431 33.8262 176.0322 92 H 4.6832 7.4814 115.1755 53.6602 31.8289 174.2695 93 A 4.1442 8.6941 126.6564 53.7039 20.1848 179.8188 94 D 4.4884 7.8096 112.7714 55.9516 40.2998 174.7702 95 G 3.9580 9.0293 115.8515 46.2293 0.0000 173.3441 96 L 4.0027 7.9615 121.3841 53.3756 42.5409 177.8202 97 C 4.2986 8.7139 115.6355 61.3931 29.7381 173.3471 98 H 4.4508 7.1185 117.0759 54.9960 32.7514 173.5409 99 R 4.1924 7.6494 120.1726 55.6152 30.2134 175.9031 100 L 4.3036 8.6755 120.9575 55.2170 42.0835 176.2583 101 T 4.4758 9.1733 112.3669 62.9808 70.4264 174.0488 102 T 4.7935 7.7742 116.9876 58.9196 71.2482 172.4081 103 V 3.4043 8.3563 127.6992 62.4561 32.3487 175.1462 104 C 3.9690 8.4587 128.8740 59.1678 31.9345 171.8690 105 P 4.4797 0.0000 0.0000 62.9483 30.9267 176.1257 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 S 8.19 4.37 0.00 3.94 4.06 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 2 I 8.19 3.28 1.55 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.87 0.67 0.00 0.00 3 Q 8.10 4.12 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 4 A 7.81 4.25 1.18 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 0.00 0.00 5 E 7.49 3.71 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 1.89 1.47 0.00 6 E 8.34 3.90 0.00 2.01 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 2.33 2.27 0.00 7 W 7.18 4.63 0.00 3.55 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 8 Y 7.58 5.11 0.00 2.69 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 9 F 9.29 4.36 0.00 2.83 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 10 G 5.71 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 0.00 0.00 0.00 11 K 8.49 4.79 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 I 7.23 4.55 1.91 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 1.53 0.86 0.99 0.00 0.00 13 T 8.03 4.35 4.40 0.00 0.00 0.00 0.00 0.00 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 14 R 9.18 3.79 0.00 1.77 1.91 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.00 15 R 7.93 3.85 0.00 1.91 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.23 3.99 0.00 2.16 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 2.34 2.39 0.00 17 S 8.34 4.11 0.00 4.04 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 18 E 8.42 3.97 0.00 2.17 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 2.36 2.53 0.00 19 R 7.85 3.88 0.00 1.92 2.11 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 L 7.67 4.14 0.00 1.76 1.67 0.98 1.15 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 21 L 7.71 4.18 0.00 1.61 1.70 0.86 1.03 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 22 L 7.91 4.37 0.00 1.71 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.70 4.87 0.00 2.69 2.65 0.00 0.00 6.92 8.09 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 24 A 8.71 4.02 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 25 E 8.46 4.20 0.00 2.05 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 2.30 2.35 0.00 26 N 8.05 4.54 0.00 2.80 2.76 0.00 0.00 6.99 8.88 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 27 P 0.00 4.54 0.00 2.19 2.15 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 28 R 8.14 3.83 0.00 1.50 1.64 0.00 3.43 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 29 G 9.04 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.57 4.74 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 1.20 0.00 0.00 31 F 9.06 5.54 0.00 3.15 3.05 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 0.00 0.00 0.00 32 L 8.74 4.77 0.00 1.11 1.08 0.80 0.29 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 33 V 9.17 5.01 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 1.33 0.00 0.00 1.07 0.00 0.00 34 R 8.50 5.04 0.00 2.03 2.01 0.00 3.22 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 35 E 8.78 4.55 0.00 1.97 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 2.54 2.53 0.00 36 S 8.32 4.31 0.00 3.87 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 37 E 8.87 4.17 0.00 1.98 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 2.31 2.29 0.00 38 T 7.80 4.36 4.23 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 1.20 0.00 0.00 39 T 8.22 4.27 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 1.18 0.00 0.00 40 K 8.47 4.00 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 41 G 8.87 3.74 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 0.00 0.00 0.00 42 A 7.47 4.83 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 43 Y 8.14 5.41 0.00 3.17 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 *45 L 8.41 4.57 0.00 1.86 1.72 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.10 5.19 0.00 3.78 3.72 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 47 V 8.74 5.06 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 1.17 0.00 0.00 1.08 0.00 0.00 48 S 9.18 4.94 0.00 3.93 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 49 D 9.26 5.28 0.00 2.75 2.51 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 0.00 50 F 8.72 5.53 0.00 3.08 2.87 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 51 D 7.60 4.78 0.00 2.66 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 N 8.78 4.48 0.00 2.72 2.91 0.00 0.00 6.90 7.35 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 53 A 7.87 4.04 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 54 K 9.31 4.17 0.00 1.60 1.78 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.30 7.81 55 G 7.88 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 0.00 0.00 0.00 56 L 8.49 4.93 0.00 1.92 1.69 1.09 0.87 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 57 N 9.31 5.11 0.00 2.78 2.81 0.00 0.00 5.96 8.14 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 58 V 8.23 4.86 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 0.66 0.00 0.00 0.91 0.00 0.00 59 K 8.90 4.56 0.00 1.52 1.03 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.54 7.81 60 H 8.13 5.17 0.00 2.86 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.64 4.79 0.00 2.78 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 62 K 8.76 4.52 0.00 1.88 1.73 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 63 I 9.06 4.58 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 1.19 0.00 0.00 64 R 8.89 4.65 0.00 0.70 1.40 0.00 3.16 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 65 K 8.17 4.57 0.00 1.41 1.54 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.30 7.81 66 L 8.72 4.46 0.00 1.78 1.64 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.43 4.45 0.00 2.65 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 68 S 7.92 4.22 0.00 3.86 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 69 G 8.24 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 0.00 0.00 0.00 70 G 7.93 4.38 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 0.00 71 F 9.22 5.53 0.00 3.20 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 72 Y 8.48 5.17 0.00 3.43 3.12 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 0.00 0.00 0.00 73 I 8.99 4.30 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.91 0.00 0.00 74 T 7.82 4.76 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 1.32 0.00 0.00 75 S 8.64 2.99 0.00 3.52 3.54 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 0.00 0.00 0.00 76 R 7.73 3.94 0.00 1.78 1.96 0.00 3.12 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 77 T 7.78 4.16 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 0.75 0.00 0.00 78 Q 7.75 4.87 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.79 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 79 F 8.79 4.83 0.00 3.32 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 80 N 8.40 4.85 0.00 3.13 2.98 0.00 0.00 6.74 7.45 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 81 S 7.79 4.80 0.00 3.98 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 82 L 7.43 3.44 0.00 0.72 1.44 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.03 4.21 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.80 0.00 84 Q 8.22 4.04 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 85 L 7.58 2.44 0.00 1.51 1.59 1.16 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.44 3.19 1.70 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 0.23 0.00 0.00 -0.03 0.00 0.00 87 A 7.84 4.03 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 88 Y 7.85 3.85 0.00 2.91 2.36 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 89 Y 7.60 4.50 0.00 2.94 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 90 S 7.28 4.69 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.63 4.33 0.00 1.48 1.49 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.38 7.81 92 H 7.48 4.68 0.00 2.57 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.69 4.14 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 94 D 7.81 4.49 0.00 3.05 1.91 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 95 G 9.03 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 96 L 7.96 4.00 0.00 1.58 1.26 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.71 4.30 0.00 3.33 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 98 H 7.12 4.45 0.00 3.16 3.18 0.00 5.75 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 99 R 7.65 4.19 0.00 2.08 1.94 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 100 L 8.68 4.30 0.00 1.24 0.58 0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.17 4.48 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 1.34 0.00 0.00 102 T 7.77 4.79 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 1.25 0.00 0.00 103 V 8.36 3.40 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 0.85 0.00 0.00 0.92 0.00 0.00 104 C 8.46 3.97 0.00 2.81 2.43 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 0.00 105 P 0.00 4.48 0.00 2.10 1.97 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.