NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.6808 8.4098 120.0355 54.8573 43.2713 175.9677 8 S 4.6383 8.0910 115.9730 54.9708 67.1633 173.2967 9 A 3.7677 8.6691 123.5330 55.7725 18.2699 180.9828 10 Q 3.8844 7.8638 116.8854 59.1327 29.1390 177.7816 11 E 3.9169 7.9274 119.4407 59.4623 29.4854 178.9734 12 A 3.7925 8.2590 120.9777 55.3516 18.2024 179.9574 13 V 3.4328 7.2839 115.1035 65.9768 31.5373 178.1026 14 I 3.6882 7.8738 119.7617 64.4420 36.9842 177.8787 15 E 4.0345 8.6565 119.9776 59.4275 29.6646 178.5228 16 A 4.2497 8.3473 120.8754 55.5097 18.3445 179.8369 17 K 4.0515 8.4773 116.9480 59.3017 32.0578 179.6156 18 R 3.8911 8.2626 119.4346 59.5334 29.9136 177.9385 19 Y 3.9798 8.1059 116.5479 61.1073 37.9258 178.5378 20 L 3.8580 7.9471 120.7358 58.4134 42.2357 178.8183 21 N 4.4379 8.5566 116.6651 56.3995 38.4200 177.1517 22 N 4.3531 8.8663 118.0613 56.1806 38.5869 177.2550 23 A 4.1060 8.4109 122.4231 55.1911 18.4395 179.7725 24 K 4.0166 8.3410 117.0041 59.7412 32.0804 179.1631 25 D 4.3676 8.2448 119.0211 57.5372 40.7687 178.8237 26 I 3.6494 7.8982 120.1437 64.4592 37.0414 178.4025 27 L 3.6577 7.8017 119.4506 57.8079 41.2411 179.4805 28 R 3.9568 7.9605 117.4772 59.5789 30.0543 177.9644 29 D 4.5354 8.2472 117.9155 56.2808 40.7587 177.3859 30 K 4.3988 8.2880 115.6519 55.4872 33.9953 178.3281 31 G 3.6546 8.5248 110.0630 46.5495 0.0000 174.0043 32 G 3.8809 7.7609 104.5855 46.0527 0.0000 174.0829 33 K 4.2921 8.2449 119.3806 56.4279 32.9529 175.4453 34 E 4.6293 8.9370 125.8810 55.9491 33.0365 175.5809 35 D 4.4848 9.9492 122.1956 55.4483 38.7805 174.8241 36 G 3.6948 8.4043 105.2434 45.1962 0.0000 173.5087 37 F 4.9372 7.9759 118.1555 55.3291 42.2100 174.0296 38 Y 4.5953 9.0085 123.3371 57.9558 37.4355 176.0879 39 Q 4.1121 8.6917 125.4927 57.8821 29.4586 176.2640 40 D 4.7254 8.1533 118.6765 52.5075 40.1028 176.5398 41 S 4.3298 8.4510 122.4298 60.8873 62.7062 176.0948 42 K 3.6702 7.4807 121.4646 59.5908 31.9311 177.8441 43 Y 4.3333 7.6152 114.8198 59.9536 38.2191 177.8068 44 V 3.7635 7.7791 119.2023 65.7943 31.6617 179.0583 45 K 4.0498 8.0313 115.4361 56.9430 31.8447 178.6527 *47 A 4.3741 8.0579 124.3083 52.3132 20.6857 180.1452 48 G 3.7633 8.6065 102.9683 48.3057 0.0000 175.4204 49 H 4.3273 8.5606 120.7454 59.2246 29.8871 177.5981 50 T 3.9702 8.0253 116.8644 66.6048 68.5573 176.3397 51 A 3.8807 8.1279 122.6389 55.3986 18.3066 178.9506 52 Y 4.0828 8.1285 117.9584 61.1383 38.7313 178.6499 53 S 4.0039 8.1999 116.1325 61.2324 62.8327 176.9307 54 G 3.3840 7.7942 108.7188 47.5062 0.0000 176.0256 55 V 3.5814 7.5479 120.3941 65.8126 31.5915 178.1375 56 L 3.7460 7.6783 118.8756 57.6289 41.3422 179.3565 57 F 4.5326 8.4348 120.7386 61.1027 39.2847 176.8706 58 A 3.7178 8.0110 120.3980 55.2598 18.1681 179.6164 59 L 4.0978 8.1206 117.1078 58.0672 41.7989 179.3239 60 D 4.7646 8.8603 119.2816 57.9426 40.6441 178.4696 61 H 4.0832 7.9537 116.9798 59.4013 29.9022 176.0798 62 Y 4.0794 7.6997 119.8038 60.8433 38.7128 177.8011 63 F 4.7556 8.5692 115.6714 57.8783 39.5075 176.8350 64 G 3.9302 8.2599 107.3142 45.2267 0.0000 173.4492 *71 K 3.8222 7.5566 119.8704 55.9978 33.1433 175.0011 72 D 4.9523 8.3108 125.4167 51.9954 41.3502 177.4709 73 V 3.9484 8.4348 118.9066 65.3116 31.0340 177.9558 74 D 4.4542 8.1255 118.4197 56.1477 40.5525 178.3096 75 W 3.9717 8.3413 129.6452 60.4765 30.6389 177.7246 76 Y 3.5446 7.9649 116.2350 60.5924 37.2397 178.2270 77 K 3.8276 8.1220 119.3774 59.6325 31.8242 179.3273 78 S 3.9504 7.7532 115.0771 61.8542 62.5358 176.7301 79 N 3.8134 7.0725 118.5593 55.9724 37.9516 177.4781 80 L 3.9954 7.6469 120.2976 57.3152 41.5045 179.1594 81 A 4.0161 7.9748 120.2477 54.7093 18.3477 179.2829 82 Q 4.0483 7.4435 114.8427 58.4132 28.8044 177.9543 83 Q 4.5093 7.0938 120.5097 56.3880 29.9711 175.9345 84 D 4.2790 8.2912 122.2250 52.1083 43.3196 175.6190 85 K 3.7709 8.6783 128.6493 59.7327 32.0720 177.8885 86 K 3.9010 8.0791 118.8813 59.5016 32.0519 178.6073 87 I 3.6103 7.7140 119.9751 63.5033 36.8125 177.7312 88 L 3.8860 7.7318 121.4483 58.6352 41.8725 179.0197 89 N 4.3578 8.3495 116.0988 56.4689 38.4250 177.6803 90 T 3.8726 8.0242 117.3387 66.5304 68.5303 176.4705 91 F 4.1596 8.5137 122.8751 61.3026 39.4631 177.3030 92 V 3.4815 8.1162 118.0760 65.9968 31.2830 177.9584 93 S 4.1013 8.1037 112.9755 61.2849 62.1773 176.2697 94 V 3.6251 7.8128 121.0541 66.0767 31.1434 177.2759 95 Y 3.7771 8.0872 119.6608 60.6169 38.5023 178.1688 96 E 3.6139 8.1058 119.2851 59.5687 29.4526 179.3541 97 Q 4.0671 8.3104 116.9421 58.0955 28.9167 177.8398 98 L 4.4175 7.9172 118.9780 57.2995 42.6230 178.2567 99 H 3.9949 7.5986 117.5416 58.4103 29.6397 175.7757 100 L 4.1651 7.1756 118.9427 56.3116 42.7570 178.5555 101 V 3.5941 8.0329 116.6246 65.1154 31.3044 177.2702 *103 A 4.4331 7.7834 119.4890 52.6247 20.5010 176.9338 104 Y 4.2061 7.5234 114.8017 59.4262 39.5760 176.4297 105 D 4.4222 8.3258 117.7328 54.4876 41.3774 177.3811 106 G 3.8003 8.1614 105.9641 46.0844 0.0000 172.8465 107 V 4.3129 7.8903 119.5881 60.9992 32.7947 176.5734 108 G 4.1771 8.3894 115.7127 42.9900 0.0000 169.0724 109 D 4.1315 8.1878 120.4695 53.8658 42.2797 175.2267 110 A 3.8606 8.3039 130.6452 55.4722 18.5390 178.8451 111 E 3.8561 7.8849 116.3475 59.5606 29.4523 179.8134 112 V 3.5516 7.5444 117.1855 65.9527 31.6346 178.0722 113 V 3.5790 8.3165 118.3631 65.9266 31.2794 177.6377 114 K 3.8016 8.5205 119.4723 59.6840 31.9667 178.6327 115 L 4.1376 7.8969 118.6957 57.7412 41.5379 179.6795 116 G 3.7795 8.3807 105.7342 48.0819 0.0000 175.6959 117 F 4.1842 9.0446 120.8225 60.3838 38.8611 177.8595 118 Q 4.3449 8.2134 119.1542 58.4646 28.5377 178.8504 119 R 3.9619 8.3595 119.0513 59.0336 30.0691 178.8503 120 A 4.0001 8.0331 120.5515 55.4233 18.0424 179.4820 121 E 3.9724 8.2803 116.9434 59.7625 29.4395 179.7809 122 I 3.8905 7.9461 119.8120 64.4243 37.1432 178.6057 123 I 3.8965 7.7867 120.7300 64.2490 36.9656 178.6002 124 I 3.7910 7.8829 120.7426 64.4961 36.9880 177.9501 125 D 4.5856 8.2598 119.7939 57.2796 40.6051 178.7369 126 W 4.2070 8.5243 128.7270 60.7278 30.6149 178.0701 127 V 3.4519 8.1884 118.0103 65.9857 30.9657 177.6067 128 E 3.8033 8.2302 119.0193 59.2234 29.2525 179.0585 129 R 3.8573 7.6414 117.1885 59.1576 30.2832 178.7315 130 R 3.7178 7.5282 117.1465 58.9392 29.9159 178.9359 131 L 3.7455 6.9945 117.8455 56.9411 41.8789 176.8489 132 A 4.0636 6.9857 124.1308 52.0046 20.5542 176.4155 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 7 L 8.41 4.68 0.00 1.77 1.81 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.09 4.64 0.00 4.06 4.07 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 9 A 8.67 3.77 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 10 Q 7.86 3.88 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 11 E 7.93 3.92 0.00 2.23 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 2.35 2.33 0.00 12 A 8.26 3.79 0.80 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 13 V 7.28 3.43 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 1.07 0.00 0.00 0.83 0.00 0.00 14 I 7.87 3.69 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.94 0.00 0.00 15 E 8.66 4.03 0.00 2.50 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 2.64 2.77 0.00 16 A 8.35 4.25 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 0.00 0.00 0.00 0.00 0.00 17 K 8.48 4.05 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 18 R 8.26 3.89 0.00 2.15 1.89 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 19 Y 8.11 3.98 0.00 3.29 3.14 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 20 L 7.95 3.86 0.00 1.98 1.79 0.53 0.67 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 21 N 8.56 4.44 0.00 2.85 2.88 0.00 0.00 7.09 6.86 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 22 N 8.87 4.35 0.00 2.85 2.87 0.00 0.00 6.90 6.95 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 23 A 8.41 4.11 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 0.00 0.00 0.00 0.00 0.00 24 K 8.34 4.02 0.00 2.08 1.97 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.38 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.88 2.02 7.81 25 D 8.24 4.37 0.00 2.96 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 26 I 7.90 3.65 2.10 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 1.56 0.71 1.04 0.00 0.00 27 L 7.80 3.66 0.00 1.67 1.13 0.28 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.96 3.96 0.00 1.82 1.98 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 29 D 8.25 4.54 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 30 K 8.29 4.40 0.00 1.17 0.74 0.00 0.69 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.92 1.05 7.81 31 G 8.52 3.65 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 0.00 0.00 0.00 32 G 7.76 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 33 K 8.24 4.29 0.00 1.66 1.67 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.04 0.35 7.81 34 E 8.94 4.63 0.00 2.02 1.78 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 2.23 2.48 0.00 35 D 9.95 4.48 0.00 2.87 2.81 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 36 G 8.40 3.69 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 0.00 0.00 0.00 37 F 7.98 4.94 0.00 3.04 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 38 Y 9.01 4.60 0.00 3.01 3.04 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 0.00 0.00 0.00 39 Q 8.69 4.11 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 40 D 8.15 4.73 0.00 2.84 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 41 S 8.45 4.33 0.00 4.21 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 42 K 7.48 3.67 0.00 1.59 1.74 0.00 1.54 0.00 0.00 1.13 0.00 0.00 2.65 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.51 1.12 7.81 43 Y 7.62 4.33 0.00 3.10 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 44 V 7.78 3.76 2.23 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 1.13 0.00 0.00 1.05 0.00 0.00 45 K 8.03 4.05 0.00 1.93 1.76 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.51 7.81 *47 A 8.06 4.37 1.51 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 0.00 0.00 48 G 8.61 3.76 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 0.00 0.00 0.00 49 H 8.56 4.33 0.00 3.26 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.03 3.97 4.37 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 1.43 0.00 0.00 51 A 8.13 3.88 1.02 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 0.00 0.00 52 Y 8.13 4.08 0.00 3.16 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 53 S 8.20 4.00 0.00 4.01 3.57 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 54 G 7.79 3.38 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 55 V 7.55 3.58 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 1.10 0.00 0.00 0.98 0.00 0.00 56 L 7.68 3.75 0.00 1.67 1.63 0.83 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.43 4.53 0.00 2.78 2.89 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 0.00 0.00 0.00 58 A 8.01 3.72 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 59 L 8.12 4.10 0.00 1.96 2.20 0.66 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.86 4.76 0.00 3.12 2.97 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 61 H 7.95 4.08 0.00 2.85 3.29 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.70 4.08 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 63 F 8.57 4.76 0.00 3.16 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 64 G 8.26 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 *71 K 7.56 3.82 0.00 1.39 1.59 0.00 1.24 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.98 7.81 72 D 8.31 4.95 0.00 2.95 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 73 V 8.43 3.95 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 0.65 0.00 0.00 0.19 0.00 0.00 74 D 8.13 4.45 0.00 2.77 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 75 W 8.34 3.97 0.00 3.24 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 76 Y 7.96 3.54 0.00 3.03 2.17 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 77 K 8.12 3.83 0.00 1.92 1.82 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.78 7.81 78 S 7.75 3.95 0.00 3.56 3.67 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 0.00 0.00 0.00 0.00 79 N 7.07 3.81 0.00 1.59 1.42 0.00 0.00 7.11 8.06 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 80 L 7.65 4.00 0.00 1.65 1.50 0.55 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.97 4.02 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 82 Q 7.44 4.05 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 83 Q 7.09 4.51 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 3.07 2.75 0.00 84 D 8.29 4.28 0.00 2.87 2.31 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 85 K 8.68 3.77 0.00 1.83 1.80 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 86 K 8.08 3.90 0.00 1.84 1.88 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 87 I 7.71 3.61 1.08 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.36 0.11 0.00 0.00 88 L 7.73 3.89 0.00 1.67 1.77 0.96 0.42 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 89 N 8.35 4.36 0.00 2.79 2.85 0.00 0.00 7.14 6.60 0.00 0.00 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 T 8.02 3.87 4.37 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 1.23 0.00 0.00 91 F 8.51 4.16 0.00 3.09 3.27 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 92 V 8.12 3.48 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 0.96 0.00 0.00 1.02 0.00 0.00 93 S 8.10 4.10 0.00 3.96 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 94 V 7.81 3.63 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 1.12 0.00 0.00 1.02 0.00 0.00 95 Y 8.09 3.78 0.00 2.54 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 96 E 8.11 3.61 0.00 2.16 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 2.61 2.53 0.00 97 Q 8.31 4.07 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 98 L 7.92 4.42 0.00 1.80 1.78 1.08 0.89 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 99 H 7.60 3.99 0.00 1.43 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.18 4.17 0.00 1.61 1.43 0.59 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.03 3.59 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 1.09 0.00 0.00 0.97 0.00 0.00 *103 A 7.78 4.43 1.44 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 0.00 104 Y 7.52 4.21 0.00 2.89 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 0.00 105 D 8.33 4.42 0.00 2.95 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 0.00 106 G 8.16 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 0.00 107 V 7.89 4.31 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 0.90 0.00 0.00 0.96 0.00 0.00 108 G 8.39 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 0.00 0.00 0.00 109 D 8.19 4.13 0.00 2.82 2.57 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 0.00 110 A 8.30 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.88 3.86 0.00 1.89 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 2.32 2.24 0.00 112 V 7.54 3.55 2.19 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 1.11 0.00 0.00 0.91 0.00 0.00 113 V 8.32 3.58 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 0.52 0.00 0.00 1.03 0.00 0.00 114 K 8.52 3.80 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 115 L 7.90 4.14 0.00 1.95 1.73 0.93 0.69 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 0.00 116 G 8.38 3.78 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 0.00 0.00 0.00 117 F 9.04 4.18 0.00 3.26 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 0.00 118 Q 8.21 4.34 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 119 R 8.36 3.96 0.00 2.01 2.02 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 120 A 8.03 4.00 1.32 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 0.00 0.00 0.00 121 E 8.28 3.97 0.00 2.24 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 0.00 2.38 2.62 0.00 122 I 7.95 3.89 2.08 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 1.58 0.66 0.96 0.00 0.00 123 I 7.79 3.90 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 1.05 0.00 0.00 124 I 7.88 3.79 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.93 0.00 0.00 125 D 8.26 4.59 0.00 2.97 2.80 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 0.00 126 W 8.52 4.21 0.00 3.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.19 3.45 2.32 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 0.93 0.00 0.00 1.31 0.00 0.00 128 E 8.23 3.80 0.00 2.03 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 0.00 2.24 2.28 0.00 129 R 7.64 3.86 0.00 1.70 1.87 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 130 R 7.53 3.72 0.00 1.15 1.51 0.00 3.19 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 131 L 6.99 3.75 0.00 1.30 1.47 0.65 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 132 A 6.99 4.06 1.22 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 * Residues marked with a * may have inaccurate shift predictions.