NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1969 8.0249 114.2659 60.7768 38.9191 174.5703 2 Q 4.6490 8.3681 119.3367 53.8780 32.4997 173.4593 3 R 4.7315 9.3608 121.2344 54.5364 34.9397 174.4140 4 T 4.9577 8.9775 119.1355 60.7022 68.2398 172.1556 5 P 4.8078 0.0000 0.0000 62.8513 32.6350 175.4078 6 K 4.6109 9.5385 122.4323 55.1447 33.9059 175.4199 7 I 5.0888 8.4482 125.3314 59.6458 40.1542 175.0922 8 Q 4.7371 9.1456 124.1560 54.2663 32.9938 174.0583 9 V 5.0566 8.6311 123.7341 61.4561 33.7009 173.9819 10 Y 5.4600 8.5283 124.5210 56.4404 41.5393 173.9131 11 S 4.9290 9.1934 115.5500 57.4654 64.7518 174.2543 12 R 4.1474 8.8078 121.3318 59.1076 30.1302 176.2359 13 H 5.0944 8.0982 113.8141 52.4166 31.9486 171.5855 14 P 4.2208 0.0000 0.0000 63.1485 30.9303 176.1487 15 A 4.2858 8.7509 126.4443 52.1788 19.2517 176.0025 16 E 4.6422 8.4902 121.4083 53.9743 32.7723 174.3483 17 N 4.6864 8.8343 123.7565 55.1968 38.7731 175.3609 18 G 3.9328 8.8897 112.9031 44.8979 0.0000 172.9699 19 K 4.3239 7.3381 120.7192 54.6970 33.3270 176.0226 20 S 4.1338 8.3011 120.5784 58.8497 63.2786 172.2393 21 N 5.0014 8.4993 123.5988 53.0305 43.4938 172.3159 22 F 5.1762 8.8761 118.2017 55.4822 42.2742 174.3822 23 L 3.9528 8.7116 126.8814 53.9622 43.2609 174.8331 24 N 5.3523 8.7260 124.2067 51.4470 41.3942 172.7711 25 C 5.3161 9.6146 124.1304 55.1119 43.5518 171.8543 26 Y 5.4088 9.3275 129.1738 56.4114 40.2456 174.4581 27 V 4.9321 8.4217 121.3948 59.8979 33.7155 175.6429 28 S 5.0120 8.9375 119.5289 56.9633 67.1975 173.7626 29 G 4.3360 8.6005 106.1088 47.8014 0.0000 173.5449 30 F 5.4161 7.4364 112.9190 55.3576 41.6346 173.6448 31 H 5.1372 8.9768 117.2766 55.1639 33.8010 172.1117 32 P 4.9542 0.0000 0.0000 61.8227 32.3931 176.2931 33 S 3.7116 8.5019 114.2105 61.0827 63.1624 174.6912 34 D 4.4480 7.8740 121.2711 54.0507 41.0246 175.3601 35 I 4.4579 7.9530 123.4727 59.7752 41.3460 173.1084 36 E 4.3458 8.7075 130.7883 55.0392 30.7707 174.7383 37 V 4.6045 7.9862 126.7146 61.0047 34.0455 174.2351 38 D 4.8908 8.7475 126.8602 52.4435 44.9240 174.8843 39 L 4.8502 8.4103 121.9346 53.9338 43.9689 175.5371 40 L 5.3155 8.9863 121.9666 52.7874 45.9751 175.5624 41 K 4.2026 8.8329 123.6783 54.5358 34.7865 175.8627 42 N 4.4313 9.7979 127.7825 54.2395 36.7329 174.8275 43 G 4.1186 8.4297 106.2335 45.4705 0.0000 174.3785 44 E 4.2442 7.7107 118.7873 55.2867 30.3460 175.8522 45 R 4.4464 8.3822 123.8224 56.5872 30.9579 175.5239 46 I 4.3181 8.1620 127.3925 60.3089 37.6742 175.8756 47 E 4.1218 8.8147 126.1721 56.2381 31.1188 176.5711 48 K 3.7282 8.5726 117.9568 57.4050 29.6176 176.2608 49 V 3.6118 7.1810 115.8001 62.8848 31.6678 174.7238 50 E 4.4436 8.2266 127.4430 55.2598 30.6609 175.5511 51 H 4.7507 8.3664 120.5222 53.6925 30.9998 174.6319 52 S 4.5540 8.5447 115.2386 57.7739 64.3251 173.3539 53 D 4.5890 8.3740 119.6132 52.9788 41.6114 176.3994 54 L 4.0794 8.4185 124.6175 55.8639 42.5886 175.8905 55 S 4.8061 8.3799 119.1203 56.6514 66.6027 171.9707 56 F 5.2821 7.4812 115.7047 55.6820 41.0784 174.5427 57 S 4.6898 9.1076 116.7625 57.1746 64.6621 174.9751 58 K 3.6736 8.5297 121.3174 59.6953 31.7741 177.2994 59 D 4.3931 7.8215 115.3152 52.9298 39.6946 176.9876 60 W 3.8981 7.7099 120.0575 56.5659 28.2951 174.6631 61 S 4.3894 8.0857 114.2713 58.1455 63.9801 173.9764 62 F 5.0151 8.6811 122.1347 57.3075 40.6542 174.1861 63 Y 5.4733 8.8323 119.0347 55.6363 41.7889 174.0863 64 L 5.1771 9.5033 120.7745 53.2239 47.0161 174.9300 65 L 5.2757 9.0919 124.4919 53.9125 44.3930 174.5045 66 Y 4.9181 9.4029 125.7213 56.8505 39.2668 174.6186 67 Y 5.9594 8.1806 121.2465 55.3520 42.2455 173.8535 68 T 4.6900 8.3251 113.4553 60.5436 71.4163 172.3801 69 E 4.0803 8.6250 126.8246 56.2497 30.0793 176.1930 70 F 4.8802 9.0323 118.6793 55.6897 42.1663 173.7744 71 T 4.1777 8.0249 115.9204 60.5047 70.8977 172.0951 72 P 4.6230 0.0000 0.0000 63.2051 31.9914 175.7633 73 T 5.0078 8.7936 112.6613 59.5640 71.7555 174.1335 74 E 4.0560 8.7635 122.0692 57.6802 30.1377 177.7069 75 K 4.2447 7.6362 117.1418 58.8378 32.7627 176.8461 76 D 5.0280 7.7032 117.0977 52.8031 42.5917 175.4376 77 E 4.8800 9.1400 122.2188 55.1218 32.1439 174.6777 78 Y 5.6250 8.9848 119.2708 55.6334 42.0767 174.2930 79 A 5.0771 8.3789 122.3689 51.2779 23.6105 175.4189 80 C 5.1984 8.9523 118.6492 54.8768 47.6802 172.7947 81 R 4.5893 8.7978 128.4258 55.6003 31.1611 175.1670 82 V 4.7400 8.6396 126.0624 61.0560 34.8091 173.5540 83 N 5.2965 8.9201 126.0661 52.2535 42.3506 172.3876 84 H 5.2171 8.3958 123.1962 54.6385 33.5283 174.3761 85 V 3.7079 8.0999 120.8523 64.4777 31.7339 177.5845 86 T 4.1184 8.0835 109.8544 62.8242 69.1885 173.5662 87 L 4.9896 7.3312 122.6874 52.7668 43.5109 176.8964 88 S 4.3355 8.7175 118.4325 60.2836 63.5819 174.1033 89 Q 4.5930 7.5571 116.8362 53.2041 31.4721 172.6864 90 P 4.5275 0.0000 0.0000 62.9492 32.3431 175.4417 91 K 4.5247 8.9677 124.9258 54.8904 34.4107 174.9506 92 I 4.8379 8.3745 127.6332 59.7176 39.3337 174.9600 93 V 4.3500 8.0974 128.4287 60.8502 33.1797 175.2095 94 K 4.6392 8.6924 127.7699 55.9690 33.0856 177.0475 95 W 4.5054 9.4831 134.9536 57.3533 30.9930 174.9725 96 D 4.4342 8.4717 128.3623 52.2417 41.2830 177.0749 97 R 3.7909 7.7131 122.9616 57.7370 29.5953 176.6868 98 D 4.6806 7.8228 117.5328 54.7510 41.3359 176.3800 99 M 4.3696 7.9190 124.8428 55.4858 32.8187 175.0892 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 I 8.02 4.20 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.90 0.00 0.00 2 Q 8.37 4.65 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 3 R 9.36 4.73 0.00 1.90 2.08 0.00 3.18 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 4 T 8.98 4.96 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 1.25 0.00 0.00 5 P 0.00 4.81 0.00 2.02 1.76 0.00 3.78 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 6 K 9.54 4.61 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 7 I 8.45 5.09 1.92 0.00 0.00 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 1.32 0.62 0.94 0.00 0.00 8 Q 9.15 4.74 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 9 V 8.63 5.06 2.35 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 0.96 0.00 0.00 1.12 0.00 0.00 10 Y 8.53 5.46 0.00 3.22 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 11 S 9.19 4.93 0.00 4.33 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 0.00 12 R 8.81 4.15 0.00 1.88 2.15 0.00 3.05 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.44 0.00 13 H 8.10 5.09 0.00 3.18 3.20 0.00 5.74 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 14 P 0.00 4.22 0.00 2.23 2.17 0.00 3.89 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 2.06 2.05 0.00 15 A 8.75 4.29 1.62 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 0.00 0.00 16 E 8.49 4.64 0.00 1.97 1.74 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 2.27 2.33 0.00 17 N 8.83 4.69 0.00 2.76 2.79 0.00 0.00 7.24 7.65 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 18 G 8.89 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 0.00 0.00 0.00 19 K 7.34 4.32 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.34 7.81 20 S 8.30 4.13 0.00 3.85 3.70 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 21 N 8.50 5.00 0.00 2.56 2.24 0.00 0.00 6.85 7.64 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 22 F 8.88 5.18 0.00 2.97 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 23 L 8.71 3.95 0.00 0.27 0.79 -0.30 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.73 5.35 0.00 1.44 2.05 0.00 0.00 6.01 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 25 C 9.61 5.32 0.00 2.92 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 26 Y 9.33 5.41 0.00 3.43 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 27 V 8.42 4.93 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 0.60 0.00 0.00 1.08 0.00 0.00 28 S 8.94 5.01 0.00 3.82 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.60 4.34 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 0.00 30 F 7.44 5.42 0.00 3.09 3.08 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 0.00 0.00 0.00 31 H 8.98 5.14 0.00 3.30 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.95 0.00 2.01 2.07 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 33 S 8.50 3.71 0.00 3.26 2.71 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 34 D 7.87 4.45 0.00 2.64 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 35 I 7.95 4.46 1.43 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.54 0.78 0.00 0.00 36 E 8.71 4.35 0.00 2.05 1.72 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 2.26 2.17 0.00 37 V 7.99 4.60 0.67 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 0.25 0.00 0.00 0.53 0.00 0.00 38 D 8.75 4.89 0.00 2.51 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 39 L 8.41 4.85 0.00 1.58 1.54 0.89 0.49 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 40 L 8.99 5.32 0.00 1.53 1.49 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.83 4.20 0.00 1.76 1.58 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.08 0.82 7.81 42 N 9.80 4.43 0.00 2.79 2.80 0.00 0.00 7.26 8.11 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 43 G 8.43 4.12 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 0.00 0.00 0.00 44 E 7.71 4.24 0.00 2.20 1.85 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 2.29 2.22 0.00 45 R 8.38 4.45 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 46 I 8.16 4.32 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.93 0.00 0.00 47 E 8.81 4.12 0.00 1.97 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 2.39 2.40 0.00 48 K 8.57 3.73 0.00 1.89 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 49 V 7.18 3.61 2.15 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 0.88 0.00 0.00 1.02 0.00 0.00 50 E 8.23 4.44 0.00 1.54 1.55 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 2.17 2.31 0.00 51 H 8.37 4.75 0.00 2.01 1.86 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.54 4.55 0.00 3.97 4.08 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 0.00 0.00 0.00 53 D 8.37 4.59 0.00 2.68 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 54 L 8.42 4.08 0.00 1.64 1.63 0.80 0.53 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 55 S 8.38 4.81 0.00 3.73 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 56 F 7.48 5.28 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.11 4.69 0.00 4.15 3.88 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 58 K 8.53 3.67 0.00 1.61 1.73 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.29 7.81 59 D 7.82 4.39 0.00 2.82 2.71 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 60 W 7.71 3.90 0.00 3.30 3.13 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 61 S 8.09 4.39 0.00 3.81 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 0.00 62 F 8.68 5.02 0.00 1.59 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 0.00 0.00 0.00 0.00 63 Y 8.83 5.47 0.00 2.91 2.98 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 64 L 9.50 5.18 0.00 1.90 1.81 1.23 0.43 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 65 L 9.09 5.28 0.00 2.14 1.78 1.14 0.75 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 66 Y 9.40 4.92 0.00 3.12 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 67 Y 8.18 5.96 0.00 3.01 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 68 T 8.33 4.69 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 1.12 0.00 0.00 69 E 8.63 4.08 0.00 1.74 1.61 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 1.48 2.06 0.00 70 F 9.03 4.88 0.00 2.76 2.71 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 71 T 8.02 4.18 4.14 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 1.12 0.00 0.00 72 P 0.00 4.62 0.00 2.31 2.51 0.00 3.26 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 2.19 1.85 0.00 73 T 8.79 5.01 4.31 0.00 0.00 0.00 0.00 0.00 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 74 E 8.76 4.06 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 2.31 2.42 0.00 75 K 7.64 4.24 0.00 1.65 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.57 7.81 76 D 7.70 5.03 0.00 2.65 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 0.00 0.00 0.00 77 E 9.14 4.88 0.00 1.83 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 2.30 2.29 0.00 78 Y 8.98 5.63 0.00 3.01 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 79 A 8.38 5.08 1.29 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 80 C 8.95 5.20 0.00 2.99 2.94 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 0.00 0.00 0.00 81 R 8.80 4.59 0.00 1.90 1.72 0.00 3.05 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 82 V 8.64 4.74 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 0.83 0.00 0.00 0.81 0.00 0.00 83 N 8.92 5.30 0.00 2.80 2.53 0.00 0.00 6.17 7.51 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 84 H 8.40 5.22 0.00 3.07 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.10 3.71 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 0.74 0.00 0.00 0.92 0.00 0.00 86 T 8.08 4.12 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 87 L 7.33 4.99 0.00 1.64 1.76 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.72 4.34 0.00 3.98 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 89 Q 7.56 4.59 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 90 P 0.00 4.53 0.00 1.93 1.99 0.00 3.64 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 2.00 2.06 0.00 91 K 8.97 4.52 0.00 1.80 1.63 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 I 8.37 4.84 1.88 0.00 0.00 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 1.22 0.76 0.92 0.00 0.00 93 V 8.10 4.35 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 1.04 0.00 0.00 0.96 0.00 0.00 94 K 8.69 4.64 0.00 1.73 1.80 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 W 9.48 4.51 0.00 3.22 3.45 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 96 D 8.47 4.43 0.00 2.73 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 97 R 7.71 3.79 0.00 1.77 1.14 0.00 2.97 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.48 0.00 98 D 7.82 4.68 0.00 2.93 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 99 M 7.92 4.37 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00