NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6870 8.3644 120.3211 52.4061 41.9706 175.5094 5 V 4.1223 7.7799 114.3871 62.4757 35.2982 176.3480 6 L 4.1580 9.0304 120.7967 57.5923 42.3579 178.8610 7 K 3.9586 7.9225 117.1716 59.6545 32.0008 179.0982 8 N 4.4002 8.1447 116.1077 56.3406 38.4688 177.4057 9 I 3.7978 7.7607 120.5387 64.2269 37.1427 178.1741 10 A 4.0220 8.6698 121.8870 55.5383 18.2202 179.3235 11 D 4.3434 8.5183 117.6114 58.0161 40.9405 179.3982 12 T 3.9542 8.1201 116.1706 66.3976 68.1885 176.8707 13 L 4.1334 7.9813 120.2708 58.0942 42.1913 179.0745 14 E 4.0316 8.5971 118.5646 59.1573 29.0839 179.2397 15 A 4.0463 8.0250 120.4139 54.9860 18.5537 179.1646 16 R 4.4456 7.5247 111.4847 56.3926 30.0309 177.8097 17 R 3.5023 7.3989 120.4399 59.1988 30.8643 177.3601 18 E 4.6122 7.9111 114.2639 55.3852 30.0487 174.5150 19 A 4.5876 7.4658 121.9397 50.5842 22.1551 176.7325 20 A 4.2200 8.2863 118.4936 51.5049 19.0985 177.3122 21 P 4.2436 0.0000 0.0000 65.4811 31.4867 177.5841 22 Q 4.3171 7.8572 114.3267 56.4496 29.5112 176.5448 23 S 4.2254 7.8778 113.2606 60.8848 62.6311 173.6079 24 S 4.6231 7.4939 111.2893 56.2863 65.6042 173.6744 25 Y 4.1387 8.7983 120.9171 60.9163 38.6085 177.4862 26 V 3.1808 7.9995 118.4641 65.8534 31.5391 177.6987 27 A 4.2065 7.9599 120.3137 55.1056 18.3474 179.5518 28 S 4.1764 7.8902 112.5771 61.5013 62.9343 176.6120 29 L 3.7598 7.6336 122.4683 57.6624 41.1490 179.3007 30 F 4.5206 7.4948 116.0870 61.2974 38.9481 177.1014 31 H 4.4563 8.2106 116.7983 59.1368 29.7428 177.1997 32 K 4.1200 7.9554 119.8345 59.2281 32.2392 175.7170 33 G 3.7165 8.2781 103.6799 43.7073 0.0000 174.0010 34 E 3.1619 8.8591 118.3787 59.2731 29.2433 178.2232 35 D 4.2917 8.0505 117.8501 57.6385 40.9825 178.6777 36 A 3.9678 7.9535 120.2994 55.2954 18.2312 179.6258 37 I 3.7376 7.2617 118.3794 64.3928 37.1862 178.5967 38 L 4.0169 8.1112 120.1026 57.3854 41.2690 179.6274 39 K 3.8886 8.3252 119.0688 59.4439 31.9676 179.1872 40 K 3.8724 7.5922 118.3234 59.3719 32.0744 178.9097 41 V 3.5750 7.8227 118.3341 66.0152 31.4757 177.9002 42 A 3.9822 8.1943 120.5913 54.9525 18.1449 179.0071 43 E 3.8620 8.4607 118.1702 59.8106 29.7566 179.1373 44 E 3.9671 8.5240 118.2901 59.1196 29.3790 179.3463 45 A 4.0141 7.9928 120.9881 54.9895 18.2208 179.5591 46 A 3.9382 7.9143 118.3602 55.3383 18.5741 179.2433 47 E 4.0282 8.2181 116.8197 59.5888 29.9516 178.8591 48 T 4.0617 7.8549 116.0872 66.3469 68.3843 176.6942 49 L 3.9588 7.5039 116.2547 55.7160 41.0781 178.6174 *51 A 4.2727 7.8794 124.2104 52.3641 20.6918 179.7393 52 S 4.0933 8.1688 110.3089 61.3396 62.7058 176.2711 53 K 3.9166 8.1573 120.3028 59.6579 31.8939 177.1788 54 D 4.5290 8.0856 114.7191 54.0720 40.7977 176.1790 55 K 3.8551 7.8192 117.0119 57.3191 30.8156 176.8783 56 D 4.6544 7.5208 120.0471 52.8366 37.6273 176.2668 57 K 3.8291 8.1287 123.1948 59.4424 32.3365 178.3411 58 L 4.0143 7.8159 118.6227 57.8489 41.6249 178.6644 59 H 4.2635 8.2853 118.4467 58.7232 29.7545 176.9074 60 L 3.8440 8.0305 122.4536 58.3478 41.9375 179.2071 61 V 3.5425 7.4354 117.9171 66.0448 31.3983 178.2165 62 R 3.8705 7.7269 117.8134 59.0849 29.8765 178.9779 63 E 3.8831 8.3254 118.6590 59.4009 29.4980 179.2585 64 V 3.6298 8.1363 118.4287 66.0242 31.3396 177.9943 65 A 3.7241 7.7863 120.3896 55.1138 18.2166 179.1323 66 D 4.4450 8.0615 116.6252 57.2153 41.1495 178.2491 67 L 4.0717 8.5187 121.3799 58.0747 42.0238 178.7752 68 W 4.3618 8.5971 118.0954 59.8501 29.1360 177.9403 69 F 4.4278 8.6757 119.7379 61.9759 39.1410 176.8420 70 H 4.1939 8.7051 115.4350 58.5505 28.2674 177.9931 71 T 4.2186 7.8899 115.5307 64.2650 67.9891 176.1749 *73 V 3.8062 7.7409 123.1991 62.8516 33.5186 177.2270 74 L 3.9499 8.0672 121.1071 58.2164 41.8518 178.6662 75 L 4.0529 8.1852 119.1707 58.5145 41.6296 179.8206 76 T 4.0414 8.0191 114.8006 66.9086 68.2086 175.8746 77 Y 4.0801 8.1744 120.5050 60.2173 38.7666 176.6943 78 H 4.8433 7.7985 115.0107 54.7267 29.2522 175.1060 79 G 3.8801 7.7182 107.5723 46.5540 0.0000 173.7840 80 L 4.9043 7.7436 120.7900 53.1606 44.7638 175.6340 81 R 4.5714 9.1880 113.1892 54.4648 32.3654 174.5810 82 P 4.0793 0.0000 0.0000 65.8176 31.2257 178.1790 83 E 3.9203 8.2730 115.5806 59.7517 29.3478 178.8727 84 D 4.5000 8.1402 118.1663 57.5064 41.2075 178.8195 85 V 3.7212 7.5538 118.0521 65.7819 31.4676 178.3122 86 V 3.7732 7.7882 114.3136 63.9794 30.5031 176.8532 *88 E 4.2008 8.1279 120.0844 55.7862 31.3790 177.8719 89 L 4.0424 8.0159 118.8530 57.9355 42.0132 178.8645 90 H 4.3078 8.5002 117.8401 59.1621 29.9393 176.2441 91 R 3.9386 8.0642 117.9165 59.2115 30.1981 176.8711 92 R 3.8322 7.3625 115.2985 57.9993 29.5213 176.7397 93 E 3.9640 6.3108 124.0066 58.6613 30.2683 177.6181 94 G 4.0465 8.8053 112.3346 45.6663 0.0000 172.4747 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.78 4.12 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 1.05 0.00 0.00 0.97 0.00 0.00 6 L 9.03 4.16 0.00 1.79 1.78 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 3.96 0.00 1.94 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.78 7.81 8 N 8.14 4.40 0.00 2.91 2.90 0.00 0.00 7.12 7.42 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 9 I 7.76 3.80 2.16 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 1.19 0.00 0.00 10 A 8.67 4.02 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 11 D 8.52 4.34 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.12 3.95 4.49 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 0.00 0.00 0.00 1.29 0.00 0.00 13 L 7.98 4.13 0.00 1.89 1.94 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.60 4.03 0.00 2.13 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 2.31 2.55 0.00 15 A 8.02 4.05 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 16 R 7.52 4.45 0.00 2.10 2.09 0.00 3.22 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 1.99 1.82 0.00 17 R 7.40 3.50 0.00 1.60 1.95 0.00 2.21 0.00 0.00 2.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 18 E 7.91 4.61 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 19 A 7.47 4.59 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 20 A 8.29 4.22 1.27 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 21 P 0.00 4.24 0.00 1.98 1.98 0.00 3.63 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 1.82 1.86 0.00 22 Q 7.86 4.32 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 23 S 7.88 4.23 0.00 3.86 4.18 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 24 S 7.49 4.62 0.00 3.91 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 25 Y 8.80 4.14 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.18 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 0.82 0.00 0.00 1.21 0.00 0.00 27 A 7.96 4.21 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 0.00 0.00 0.00 0.00 0.00 28 S 7.89 4.18 0.00 4.12 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 29 L 7.63 3.76 0.00 1.38 1.30 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.49 4.52 0.00 3.27 3.03 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 0.00 0.00 0.00 31 H 8.21 4.46 0.00 3.30 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.96 4.12 0.00 1.91 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 33 G 8.28 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 0.00 0.00 0.00 34 E 8.86 3.16 0.00 1.88 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 2.29 2.28 0.00 35 D 8.05 4.29 0.00 2.76 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 36 A 7.95 3.97 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 37 I 7.26 3.74 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 0.79 0.00 0.00 38 L 8.11 4.02 0.00 1.77 1.69 0.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.33 3.89 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.60 7.81 40 K 7.59 3.87 0.00 1.86 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.06 1.22 7.81 41 V 7.82 3.57 2.21 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 0.98 0.00 0.00 1.02 0.00 0.00 42 A 8.19 3.98 1.40 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 0.00 0.00 0.00 43 E 8.46 3.86 0.00 2.12 2.16 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 2.31 2.36 0.00 44 E 8.52 3.97 0.00 2.06 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 2.59 2.56 0.00 45 A 7.99 4.01 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 46 A 7.91 3.94 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 47 E 8.22 4.03 0.00 2.10 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 2.36 2.39 0.00 48 T 7.85 4.06 4.47 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 1.22 0.00 0.00 49 L 7.50 3.96 0.00 1.90 1.68 1.00 1.10 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 *51 A 7.88 4.27 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 52 S 8.17 4.09 0.00 3.89 4.05 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 53 K 8.16 3.92 0.00 1.93 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.09 4.53 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.82 3.86 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.52 4.65 0.00 2.68 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 57 K 8.13 3.83 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.74 7.81 58 L 7.82 4.01 0.00 1.72 1.70 0.91 1.01 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 59 H 8.29 4.26 0.00 3.36 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.03 3.84 0.00 1.78 1.81 0.90 0.71 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 61 V 7.44 3.54 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 0.86 0.00 0.00 0.92 0.00 0.00 62 R 7.73 3.87 0.00 1.93 1.91 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 63 E 8.33 3.88 0.00 1.99 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 2.20 2.24 0.00 64 V 8.14 3.63 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 0.61 0.00 0.00 0.88 0.00 0.00 65 A 7.79 3.72 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 66 D 8.06 4.45 0.00 3.03 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 67 L 8.52 4.07 0.00 1.94 1.97 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.60 4.36 0.00 3.47 3.35 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 69 F 8.68 4.43 0.00 3.08 3.36 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 70 H 8.71 4.19 0.00 3.36 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.89 4.22 4.57 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 1.13 0.00 0.00 *73 V 7.74 3.81 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 0.35 0.00 0.00 0.14 0.00 0.00 74 L 8.07 3.95 0.00 1.88 1.92 0.92 0.90 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 75 L 8.19 4.05 0.00 1.72 1.74 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.02 4.04 4.69 0.00 0.00 0.00 0.00 0.00 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 77 Y 8.17 4.08 0.00 3.31 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 78 H 7.80 4.84 0.00 3.35 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.72 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 0.00 0.00 0.00 80 L 7.74 4.90 0.00 1.72 1.76 0.93 0.70 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 81 R 9.19 4.57 0.00 1.93 1.97 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 82 P 0.00 4.08 0.00 2.20 2.13 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 83 E 8.27 3.92 0.00 1.91 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 2.33 2.50 0.00 84 D 8.14 4.50 0.00 2.72 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 85 V 7.55 3.72 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 0.86 0.00 0.00 0.85 0.00 0.00 86 V 7.79 3.77 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 1.01 0.00 0.00 0.92 0.00 0.00 *88 E 8.13 4.20 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.02 4.04 0.00 1.92 1.68 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.50 4.31 0.00 3.14 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.06 3.94 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 92 R 7.36 3.83 0.00 2.04 1.74 0.00 3.20 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 93 E 6.31 3.96 0.00 2.00 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 2.36 2.31 0.00 94 G 8.81 4.05 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.