NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3361 8.1593 117.3728 62.6183 69.9275 173.5035 2 P 4.2891 0.0000 0.0000 62.3553 32.0281 175.1053 3 Q 4.1853 8.1837 118.7352 57.9629 30.2077 176.3674 4 N 4.7122 7.3303 113.2152 51.1628 39.8026 174.3116 5 I 3.7727 8.2423 116.4311 64.6528 37.8461 178.4435 6 T 3.9148 7.9373 116.3812 66.4175 68.1330 176.3393 7 D 4.3221 8.0644 120.0208 57.3506 41.0640 178.2071 8 L 4.2507 7.6951 120.5632 58.4121 41.9074 178.2431 9 C 4.2788 8.1966 117.9099 59.2974 43.4008 174.9270 10 A 3.9187 7.5964 120.7168 53.9272 17.9999 178.7302 11 E 3.8666 7.7792 116.7951 57.2264 29.8903 176.4044 12 Y 4.6814 6.8344 115.6617 56.2293 40.2439 175.2646 13 H 4.6150 8.5983 119.3077 56.5201 30.3367 174.4857 14 N 4.4341 8.9151 115.6359 54.8343 35.4109 173.5787 15 T 5.6332 7.7722 105.4344 59.5070 72.8409 173.2302 16 Q 4.6039 8.0551 117.4843 55.4158 31.8099 172.8519 17 I 4.5842 8.2929 121.7193 60.9316 38.4938 174.7764 18 H 4.7984 8.9174 124.6880 54.5677 30.8042 174.1583 19 T 4.2263 8.4809 120.5935 62.4718 68.6837 174.3917 20 L 3.9545 8.5240 126.1236 55.0826 41.7434 177.8484 21 N 4.2029 7.9321 114.1073 53.7389 36.8996 173.1645 22 D 4.7428 7.3538 115.4155 52.2148 44.9853 174.2178 23 K 4.7267 8.4614 122.0328 56.1623 33.1046 176.5444 24 I 3.2644 8.1518 121.1608 60.9802 37.4806 176.1334 25 F 4.5708 8.5823 129.3562 60.8744 40.1557 175.8769 26 S 4.2167 7.7699 111.1800 56.7444 66.3581 172.3800 27 Y 4.7334 7.6682 125.3090 55.9144 40.3509 174.5862 28 T 4.4433 7.9999 123.0316 61.5687 72.1020 172.7320 29 E 4.9401 8.3639 125.0179 54.5258 33.1645 174.2064 30 S 4.7634 8.8517 119.7907 56.3948 65.8230 174.0454 31 L 4.6005 8.5858 124.7345 55.1332 41.1267 176.2967 32 A 4.0693 7.8074 123.8922 51.7609 18.8471 177.6438 33 G 3.8672 8.6606 111.1067 47.3896 0.0000 173.4161 34 K 4.0044 8.5848 120.9123 57.1113 30.5009 176.0546 35 R 4.6504 8.0914 117.4674 55.7604 31.0265 176.6902 36 E 4.6388 8.3694 119.0932 55.2949 29.7565 176.2054 37 M 4.8101 8.1197 120.9603 54.2503 35.3388 173.0024 38 A 5.1045 8.2455 119.5592 50.2840 23.0706 175.3958 39 I 5.1348 8.3079 119.2248 59.7751 41.8326 174.5854 40 I 5.1102 8.9823 120.3932 59.2677 40.8307 174.5265 41 T 5.2962 8.5659 113.1556 60.1452 72.5693 172.3795 42 F 5.4097 8.7877 119.7194 55.2809 42.8671 176.6036 43 K 3.8203 9.0497 118.8305 58.6284 32.6305 177.3610 44 N 4.5534 8.1720 116.3092 53.1973 37.5514 175.2647 45 G 3.9181 8.4025 108.4079 45.3101 0.0000 174.1939 46 A 3.9433 7.8260 121.5463 52.7610 19.1802 176.7299 47 T 4.8891 7.9975 118.8097 61.7567 71.5560 173.5870 48 F 5.4061 9.0020 122.8870 55.8778 43.5574 173.5397 49 Q 5.1405 9.0446 117.8960 54.5465 32.0851 174.4198 50 V 4.5849 8.2111 120.5365 61.1517 32.9463 175.0171 51 E 4.4875 8.9698 127.5010 55.8797 30.0695 177.3783 52 V 4.0276 8.3449 122.4549 61.9388 32.1776 174.1254 53 P 4.4913 0.0000 0.0000 63.0477 32.1166 176.4474 54 G 3.9438 8.2763 109.9818 45.4222 0.0000 173.1498 55 S 4.5127 8.5522 114.0976 59.0011 63.7712 175.1213 56 Q 3.9664 7.7993 118.7298 58.1477 28.8011 175.5184 57 H 4.9616 7.2690 115.4494 53.8032 30.2962 174.9531 58 I 4.1238 8.0076 117.2868 60.0080 38.9617 176.5598 59 D 4.3361 8.6757 119.7217 57.5026 41.2890 178.2336 60 S 4.2011 8.0931 114.2023 61.3413 62.9449 176.0552 61 Q 3.8806 8.1582 125.6554 58.9981 28.1652 178.4744 *62 K 3.9206 8.0180 127.4379 60.5727 31.6656 183.9035 63 K 4.2269 8.0046 124.2563 59.5831 31.8126 180.8022 64 A 4.2686 7.4774 120.8210 54.8281 18.1704 179.8560 65 I 3.6874 7.7643 118.5442 64.6366 37.2863 178.4788 66 E 4.0002 7.8850 118.4844 59.3343 29.2353 179.3557 67 R 3.9113 8.0887 118.8228 59.6143 30.1312 178.2841 68 M 4.0818 8.1810 118.0006 58.5081 32.2667 178.3942 69 K 4.0763 7.9774 118.2965 59.5098 32.2008 178.6551 70 D 4.3876 7.9120 118.7588 58.1783 40.8321 179.3304 71 T 3.8618 8.2599 116.0476 66.8313 68.4218 176.6268 72 L 4.1302 7.9976 120.8106 57.4783 41.7231 179.4593 73 R 2.9241 7.8185 118.7428 58.9884 29.9358 178.5928 74 I 3.5985 7.8490 119.5061 64.4355 37.0846 178.2468 75 A 4.0981 8.0479 122.8640 54.5964 18.1795 179.1867 76 Y 3.9237 7.8211 117.9716 60.9822 38.7827 178.0802 77 L 3.7817 7.7598 118.4356 57.0071 41.6358 178.5948 78 T 4.1588 7.8721 108.3681 60.6712 69.4325 174.4486 79 E 3.3502 7.6541 120.0369 57.2778 27.3257 174.5424 80 A 4.2304 8.0277 120.4111 51.3476 20.2863 178.0306 81 K 4.2704 8.7159 124.2311 56.5264 33.7698 175.8446 82 V 3.8310 8.6876 129.1423 62.2857 32.2916 175.8344 83 E 4.2129 8.9718 130.1547 58.1396 30.0753 176.2457 84 K 5.0074 7.9921 117.4592 54.7780 37.3691 174.5488 85 L 4.8964 8.3363 123.2770 53.0435 44.6257 174.6042 86 C 4.9775 8.5848 123.6608 55.7251 40.6808 172.6959 87 V 4.8963 8.1342 118.6924 59.0122 35.9364 174.9109 88 W 4.9346 9.5710 125.4866 56.4848 29.3157 176.4879 89 N 4.7329 9.0236 122.8283 53.6409 37.4720 175.5113 90 N 4.7653 8.4059 116.2425 53.1814 37.7569 174.5346 91 K 4.7184 7.8959 117.2516 55.0669 35.4362 175.4341 92 T 4.5132 8.1919 116.8468 61.0085 70.7705 172.5584 93 P 4.5597 0.0000 0.0000 62.1638 32.9368 175.7078 94 H 4.6445 8.7753 116.3987 56.9862 29.8979 174.1228 95 A 5.1822 8.7990 124.0252 50.6965 20.8207 176.3432 96 I 4.1547 8.8248 124.3089 61.5250 37.3274 175.4933 97 A 4.5918 8.9302 128.8922 53.2442 20.3822 176.4662 98 A 4.6893 7.3744 114.5365 50.7602 23.3376 174.5889 99 I 5.1385 8.1038 118.1127 59.4811 41.4657 174.2243 100 S 4.9059 9.0649 122.5164 56.7473 66.3301 172.6069 101 M 5.2514 8.6168 120.3776 53.6917 34.5351 174.6665 102 A 4.6137 8.1746 122.7991 50.9348 23.1556 175.7809 103 N 4.4682 8.7506 115.3154 53.9527 38.8032 174.6595 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 T 8.16 4.34 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 2 P 0.00 4.29 0.00 2.25 2.03 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 3 Q 8.18 4.19 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 4 N 7.33 4.71 0.00 2.88 2.90 0.00 0.00 5.93 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 5 I 8.24 3.77 1.84 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 1.57 1.27 0.87 0.00 0.00 6 T 7.94 3.91 4.36 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 1.19 0.00 0.00 7 D 8.06 4.32 0.00 2.80 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 8 L 7.70 4.25 0.00 1.86 1.82 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.20 4.28 0.00 3.18 3.01 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 10 A 7.60 3.92 1.31 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 0.00 0.00 11 E 7.78 3.87 0.00 1.47 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 2.20 2.44 0.00 12 Y 6.83 4.68 0.00 2.80 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 13 H 8.60 4.62 0.00 3.24 3.30 0.00 6.02 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.92 4.43 0.00 3.30 3.09 0.00 0.00 6.37 7.05 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 15 T 7.77 5.63 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 0.87 0.00 0.00 16 Q 8.06 4.60 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 17 I 8.29 4.58 1.85 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 0.81 0.88 0.00 0.00 18 H 8.92 4.80 0.00 3.01 3.21 0.00 5.78 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 19 T 8.48 4.23 4.21 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 1.18 0.00 0.00 20 L 8.52 3.95 0.00 1.47 1.31 0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.93 4.20 0.00 2.89 2.82 0.00 0.00 6.55 7.95 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 22 D 7.35 4.74 0.00 2.80 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 23 K 8.46 4.73 0.00 1.94 1.87 0.00 1.24 0.00 0.00 2.00 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 24 I 8.15 3.26 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.90 0.00 0.00 25 F 8.58 4.57 0.00 3.10 3.25 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 0.00 26 S 7.77 4.22 0.00 3.73 3.86 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 0.00 0.00 0.00 27 Y 7.67 4.73 0.00 2.56 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 0.00 0.00 0.00 28 T 8.00 4.44 4.15 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 0.00 0.00 1.07 0.00 0.00 29 E 8.36 4.94 0.00 1.76 1.59 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 2.19 2.29 0.00 30 S 8.85 4.76 0.00 3.86 3.61 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 31 L 8.59 4.60 0.00 1.75 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.81 4.07 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 33 G 8.66 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 34 K 8.58 4.00 0.00 2.05 1.93 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.53 7.81 35 R 8.09 4.65 0.00 1.83 1.83 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.37 4.64 0.00 1.97 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 2.38 2.20 0.00 37 M 8.12 4.81 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 38 A 8.25 5.10 1.16 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 0.00 0.00 39 I 8.31 5.13 1.76 0.00 0.00 0.81 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 0.53 0.94 0.00 0.00 40 I 8.98 5.11 1.84 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.29 1.02 0.00 0.00 41 T 8.57 5.30 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 1.22 0.00 0.00 42 F 8.79 5.41 0.00 3.32 3.09 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 0.00 0.00 0.00 43 K 9.05 3.82 0.00 1.90 1.79 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 0.99 7.81 44 N 8.17 4.55 0.00 2.86 2.98 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.40 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 46 A 7.83 3.94 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 47 T 8.00 4.89 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 1.15 0.00 0.00 48 F 9.00 5.41 0.00 3.10 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 49 Q 9.04 5.14 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 50 V 8.21 4.58 2.12 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 0.99 0.00 0.00 1.01 0.00 0.00 51 E 8.97 4.49 0.00 1.94 1.92 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 2.44 2.22 0.00 52 V 8.34 4.03 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 1.10 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.49 0.00 2.08 1.96 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 54 G 8.28 3.94 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 0.00 0.00 0.00 55 S 8.55 4.51 0.00 3.95 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 56 Q 7.80 3.97 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 57 H 7.27 4.96 0.00 3.31 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.01 4.12 1.90 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 1.41 0.94 0.94 0.00 0.00 59 D 8.68 4.34 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 S 8.09 4.20 0.00 4.11 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 0.00 61 Q 8.16 3.88 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 *62 K 8.02 3.92 0.00 1.84 1.83 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.35 7.81 63 K 8.00 4.23 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 64 A 7.48 4.27 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 65 I 7.76 3.69 1.99 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.23 0.90 0.00 0.00 66 E 7.89 4.00 0.00 2.18 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 2.48 2.47 0.00 67 R 8.09 3.91 0.00 1.90 2.12 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.18 4.08 0.00 2.33 2.15 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 2.65 2.67 0.00 69 K 7.98 4.08 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.66 7.81 70 D 7.91 4.39 0.00 3.06 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 71 T 8.26 3.86 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 L 8.00 4.13 0.00 2.09 1.95 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.82 2.92 0.00 1.21 1.81 0.00 3.00 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.00 74 I 7.85 3.60 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.88 0.00 0.00 75 A 8.05 4.10 1.45 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 0.00 0.00 76 Y 7.82 3.92 0.00 3.15 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 77 L 7.76 3.78 0.00 1.60 1.63 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.87 4.16 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 79 E 7.65 3.35 0.00 2.09 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 2.07 2.04 0.00 80 A 8.03 4.23 1.25 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 0.00 0.00 0.00 81 K 8.72 4.27 0.00 1.98 1.90 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.50 1.01 7.81 82 V 8.69 3.83 2.33 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 0.93 0.00 0.00 1.20 0.00 0.00 83 E 8.97 4.21 0.00 2.12 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 0.00 2.28 2.21 0.00 84 K 7.99 5.01 0.00 1.77 1.54 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.37 7.81 85 L 8.34 4.90 0.00 1.14 1.16 -0.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.58 4.98 0.00 2.87 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 87 V 8.13 4.90 2.13 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 0.50 0.00 0.00 0.73 0.00 0.00 88 W 9.57 4.93 0.00 3.51 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 89 N 9.02 4.73 0.00 2.71 2.80 0.00 0.00 6.33 8.04 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 90 N 8.41 4.77 0.00 2.91 3.05 0.00 0.00 5.89 7.13 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 91 K 7.90 4.72 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.47 7.81 92 T 8.19 4.51 4.24 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 0.00 0.00 0.00 1.19 0.00 0.00 93 P 0.00 4.56 0.00 2.16 1.98 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 94 H 8.78 4.64 0.00 3.45 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.80 5.18 1.45 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 0.00 0.00 96 I 8.82 4.15 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.79 0.94 0.00 0.00 97 A 8.93 4.59 0.21 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 98 A 7.37 4.69 1.10 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 0.00 0.00 99 I 8.10 5.14 1.85 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 1.40 0.90 0.91 0.00 0.00 100 S 9.06 4.91 0.00 3.87 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 0.00 101 M 8.62 5.25 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.17 4.61 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 0.00 103 N 8.75 4.47 0.00 2.89 2.81 0.00 0.00 6.79 7.56 0.00 0.00 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.