NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3346 8.4449 118.8935 56.2090 30.2298 174.5529 3 F 4.7157 8.4661 125.2339 57.2858 40.1796 173.3037 4 A 4.8110 9.8804 124.0753 49.6387 23.6700 173.7054 5 P 4.3877 0.0000 0.0000 62.8600 32.3473 177.4491 6 R 3.7190 8.8236 122.7524 59.8120 29.9066 178.8778 7 S 4.0959 8.0698 113.3061 61.6222 62.8353 176.6527 8 V 3.5837 7.6972 121.2250 65.6516 31.4391 178.2020 9 V 3.6625 7.6925 117.4752 66.0740 31.3730 177.7682 10 I 3.7558 8.0454 119.8592 64.6657 37.0125 178.2818 11 E 4.0347 8.3481 119.1986 59.5269 28.9963 179.3756 12 E 4.3302 7.9264 118.9020 58.8787 29.6408 179.0424 13 F 4.2879 8.3405 117.6762 60.5103 39.0983 177.8722 14 I 3.9649 8.3496 119.9134 64.4828 36.4155 178.1589 15 D 4.4742 8.4686 119.8602 57.3370 40.4268 178.2264 16 T 4.3375 7.6386 114.1350 64.4312 68.8331 176.2339 17 L 3.8902 7.6028 122.3520 58.2435 42.1684 177.5256 18 E 4.0562 8.0492 118.2013 58.8583 30.2967 176.1435 19 P 4.4812 0.0000 0.0000 62.8417 28.7812 175.8191 *22 E 4.1376 8.1303 121.9684 55.9450 31.7527 177.6118 23 A 3.7902 8.1197 120.4048 54.6704 18.1414 177.6344 24 Y 4.4337 7.9110 110.7819 56.9332 38.5954 175.8608 25 G 3.7085 7.5017 107.1052 46.4609 0.0000 174.1308 26 L 4.4196 7.8991 118.1634 53.5584 43.0367 176.7835 27 D 4.4550 8.6559 122.1677 55.8334 41.9951 175.8781 28 Q 4.4645 7.7790 119.9897 54.3955 31.8920 174.0065 29 V 4.9312 8.4700 125.5832 61.4227 35.1949 173.9821 30 G 4.4434 9.0383 112.5730 44.6652 0.0000 171.1143 31 I 4.7931 8.4477 120.3815 60.7229 38.2073 175.6172 32 F 5.0108 9.1224 128.5451 56.5133 42.1453 173.8404 33 E 4.6401 7.7202 123.3357 54.6130 33.6368 174.6032 34 E 4.3173 8.2359 121.8548 54.9258 34.3098 174.1591 35 H 4.5312 8.7364 121.5587 54.6578 29.6415 175.3452 36 G 4.2038 8.4622 112.6046 45.0382 0.0000 172.4145 37 E 4.4223 8.8767 118.4890 56.8464 31.2877 178.3635 38 G 3.7898 8.1519 110.3166 47.4330 0.0000 174.1906 39 N 4.8149 8.6428 122.5559 52.3757 37.6558 174.3523 40 R 4.5327 7.8151 119.0931 56.6890 31.5622 174.9787 41 Y 4.7966 8.2812 123.1127 56.2343 42.9715 173.0641 42 Y 5.2204 8.4120 122.8370 56.2140 41.4345 174.7161 43 V 4.4519 8.3254 122.3122 60.9926 35.0574 173.8964 44 G 4.5734 8.1936 114.4754 46.9321 0.0000 171.7962 45 Y 5.6940 9.0791 120.5531 56.5944 42.9247 174.7439 46 T 4.9794 9.0633 118.2241 61.9732 71.7117 172.9781 47 I 4.7853 9.0908 127.9781 59.6705 39.2808 175.2709 48 N 4.7316 8.9294 126.3759 52.1790 39.3529 174.1901 49 K 4.1379 9.1535 129.3094 55.0696 32.1695 175.4516 50 D 4.4868 9.3429 128.6783 55.2500 39.1782 174.0637 51 D 4.7417 8.6347 116.7888 54.8055 41.3559 175.1446 52 E 4.2668 7.5254 121.0345 55.2193 31.6028 173.8834 *54 I 4.3074 8.0705 116.3747 61.8155 38.9433 174.8262 55 T 5.0963 8.4384 123.2800 61.5212 71.6614 173.1749 56 I 5.1334 8.7950 118.9430 59.7602 40.7719 174.0837 57 H 5.3530 9.1741 120.6491 54.2484 32.3686 169.7068 *59 P 4.4763 0.0000 0.0000 63.2336 32.8713 175.9117 60 F 5.1412 9.2815 121.3966 55.5203 43.6782 173.8039 61 V 4.8779 8.9344 120.5134 61.0977 34.1059 174.0364 62 K 5.6883 9.2164 129.6638 54.0475 33.7836 175.8748 63 N 4.5962 8.2630 124.9827 51.3653 38.9020 175.4598 64 E 3.9527 8.3565 116.8382 58.7372 29.4078 178.2261 65 R 4.1171 8.0136 116.7202 55.7704 30.3309 177.4561 66 G 3.8033 8.0281 106.6635 45.2551 0.0000 173.8073 67 E 4.4264 7.6859 118.9995 55.9006 31.4351 175.3871 68 L 5.5317 9.2103 120.8492 53.1252 45.5141 175.6639 69 A 5.0404 8.9251 123.1748 49.7062 22.4636 175.1921 70 L 3.2229 8.5265 124.6706 55.0986 42.0566 176.3901 71 E 4.1343 8.6607 128.2121 58.3733 30.3837 176.4869 72 K 4.4028 7.2711 116.8897 55.3055 35.1427 175.5845 73 Q 4.2731 8.3281 127.1190 54.3363 27.3234 173.8593 74 E 5.0392 7.6396 119.2691 54.2369 32.9225 173.8214 75 W 5.1009 9.6768 125.6169 55.3936 32.3415 174.9070 76 T 5.1323 9.0229 119.6399 61.8365 71.5334 173.1799 77 V 4.6223 9.2492 125.7268 61.1473 34.1419 174.1806 78 R 4.9688 9.3540 129.8010 54.7245 31.4877 174.5569 79 K 4.6940 8.5818 127.7984 55.1702 36.0106 175.6741 80 D 4.4590 9.8586 124.0685 55.4282 38.4399 174.8835 81 G 3.9654 8.5698 104.6793 45.5251 0.0000 174.0211 82 R 4.8003 7.9295 117.8978 54.2475 34.2902 174.2554 83 E 5.3121 8.7365 119.8712 54.8100 32.6694 175.6678 84 K 4.7674 8.9948 120.9258 54.9119 36.5811 176.0128 85 K 4.9100 8.7448 123.9156 55.0016 35.1623 175.5598 86 G 3.7152 8.5878 106.4294 45.4926 0.0000 173.8223 87 F 4.5056 7.3006 119.6556 57.5976 39.4692 175.6937 88 H 5.2727 9.5433 122.2268 55.6185 29.3245 174.3743 89 S 4.8819 7.6663 113.5421 56.8617 65.6018 174.9923 90 L 2.7420 8.4121 122.9918 57.8555 42.0663 178.2408 91 Q 4.2662 7.9247 115.8695 58.4767 28.8836 177.6052 92 E 4.0654 8.4100 117.2672 59.4936 29.7751 180.1664 93 A 3.1514 7.6563 119.5985 52.2736 17.7983 178.9883 *95 E 4.2218 8.2589 121.1889 57.9134 31.5408 178.1991 96 E 3.8878 7.3977 118.5775 58.9010 29.9722 178.1724 97 V 3.5824 7.5699 117.8569 66.0344 31.6400 177.2670 98 I 3.8319 7.4180 118.6848 64.7374 37.8461 177.1139 99 H 4.5118 8.1892 117.0283 53.8695 26.9790 175.7846 100 S 4.3223 7.4410 117.4033 59.1779 62.2790 175.7307 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 2 E 8.44 4.33 0.00 1.96 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 2.07 2.28 0.00 3 F 8.47 4.72 0.00 3.08 3.06 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 4 A 9.88 4.81 1.24 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 0.00 0.00 0.00 5 P 0.00 4.39 0.00 2.07 1.97 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 6 R 8.82 3.72 0.00 1.64 1.82 0.00 3.03 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 7 S 8.07 4.10 0.00 4.08 4.11 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 0.00 0.00 0.00 0.00 8 V 7.70 3.58 2.26 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 1.01 0.00 0.00 0.94 0.00 0.00 9 V 7.69 3.66 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 0.82 0.00 0.00 0.97 0.00 0.00 10 I 8.05 3.76 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.94 0.00 0.00 11 E 8.35 4.03 0.00 2.18 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 2.59 2.53 0.00 12 E 7.93 4.33 0.00 2.15 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 2.38 2.59 0.00 13 F 8.34 4.29 0.00 3.28 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 14 I 8.35 3.96 2.13 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 1.66 1.46 1.00 0.00 0.00 15 D 8.47 4.47 0.00 2.92 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 16 T 7.64 4.34 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 1.27 0.00 0.00 17 L 7.60 3.89 0.00 1.89 1.91 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.05 4.06 0.00 1.97 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 2.30 2.40 0.00 19 P 0.00 4.48 0.00 2.22 2.00 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 *22 E 8.13 4.14 0.00 2.00 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 0.00 2.23 2.29 0.00 23 A 8.12 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.91 4.43 0.00 2.97 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 25 G 7.50 3.71 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 0.00 0.00 0.00 26 L 7.90 4.42 0.00 1.64 1.59 0.85 1.13 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 27 D 8.66 4.46 0.00 2.61 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 28 Q 7.78 4.46 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 29 V 8.47 4.93 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 0.89 0.00 0.00 0.90 0.00 0.00 30 G 9.04 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.79 1.92 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.81 0.00 0.00 32 F 9.12 5.01 0.00 3.09 2.86 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 33 E 7.72 4.64 0.00 1.55 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 2.00 2.13 0.00 34 E 8.24 4.32 0.00 1.55 1.73 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 0.00 2.07 1.84 0.00 35 H 8.74 4.53 0.00 2.94 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.46 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 0.00 0.00 0.00 0.00 37 E 8.88 4.42 0.00 2.10 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 2.43 2.35 0.00 38 G 8.15 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.64 4.81 0.00 3.14 3.06 0.00 0.00 5.99 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 40 R 7.82 4.53 0.00 1.90 1.61 0.00 3.24 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 41 Y 8.28 4.80 0.00 2.94 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 42 Y 8.41 5.22 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.33 4.45 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 -0.29 0.00 0.00 0.50 0.00 0.00 44 G 8.19 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 0.00 0.00 0.00 0.00 45 Y 9.08 5.69 0.00 2.99 2.85 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 0.00 0.00 0.00 46 T 9.06 4.98 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 1.22 0.00 0.00 47 I 9.09 4.79 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.87 0.00 0.00 48 N 8.93 4.73 0.00 2.72 2.76 0.00 0.00 7.04 6.56 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 49 K 9.15 4.14 0.00 1.76 1.66 0.00 1.80 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.33 7.81 50 D 9.34 4.49 0.00 2.77 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 51 D 8.63 4.74 0.00 2.90 2.85 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 0.00 0.00 0.00 52 E 7.53 4.27 0.00 2.00 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 2.25 2.25 0.00 *54 I 8.07 4.31 1.81 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 1.30 0.66 0.82 0.00 0.00 55 T 8.44 5.10 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 0.09 0.00 0.00 56 I 8.79 5.13 2.10 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.80 0.00 0.00 57 H 9.17 5.35 0.00 3.60 3.65 0.00 5.76 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 *59 P 0.00 4.48 0.00 2.12 2.40 0.00 3.43 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 60 F 9.28 5.14 0.00 3.05 2.96 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 61 V 8.93 4.88 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 1.10 0.00 0.00 0.92 0.00 0.00 62 K 9.22 5.69 0.00 1.65 1.65 0.00 1.34 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.11 7.81 63 N 8.26 4.60 0.00 2.52 1.88 0.00 0.00 6.26 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 64 E 8.36 3.95 0.00 1.88 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 2.26 2.27 0.00 65 R 8.01 4.12 0.00 1.77 1.85 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 66 G 8.03 3.80 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 0.00 0.00 0.00 67 E 7.69 4.43 0.00 1.88 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 2.36 2.24 0.00 68 L 9.21 5.53 0.00 1.43 1.51 0.37 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.93 5.04 0.16 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 70 L 8.53 3.22 0.00 1.40 1.39 0.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.66 4.13 0.00 1.86 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 2.22 2.19 0.00 72 K 7.27 4.40 0.00 1.65 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 73 Q 8.33 4.27 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.42 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 74 E 7.64 5.04 0.00 2.00 1.77 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 2.28 2.59 0.00 75 W 9.68 5.10 0.00 3.41 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 76 T 9.02 5.13 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 1.27 0.00 0.00 77 V 9.25 4.62 2.06 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 0.81 0.00 0.00 0.42 0.00 0.00 78 R 9.35 4.97 0.00 1.94 1.76 0.00 2.97 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 79 K 8.58 4.69 0.00 1.78 1.55 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.45 7.81 80 D 9.86 4.46 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 81 G 8.57 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 0.00 0.00 0.00 82 R 7.93 4.80 0.00 1.73 1.78 0.00 3.09 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 83 E 8.74 5.31 0.00 1.83 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 2.20 2.29 0.00 84 K 8.99 4.77 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.42 7.81 85 K 8.74 4.91 0.00 1.98 1.85 0.00 1.54 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.34 7.81 86 G 8.59 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 87 F 7.30 4.51 0.00 3.25 3.02 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 0.00 0.00 0.00 88 H 9.54 5.27 0.00 3.38 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.67 4.88 0.00 4.18 4.02 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 0.00 0.00 0.00 90 L 8.41 2.74 0.00 1.29 1.58 -0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.92 4.27 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 92 E 8.41 4.07 0.00 2.34 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 0.00 2.41 2.32 0.00 93 A 7.66 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 E 8.26 4.22 0.00 2.16 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 2.46 2.20 0.00 96 E 7.40 3.89 0.00 1.41 1.57 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 2.06 2.12 0.00 97 V 7.57 3.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.75 0.00 0.00 98 I 7.42 3.83 1.93 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 1.21 0.97 0.90 0.00 0.00 99 H 8.19 4.51 0.00 3.35 3.31 0.00 5.90 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.44 4.32 0.00 3.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.