NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6347 8.1627 120.3562 54.7495 33.5000 174.4694 2 Q 3.7230 9.1072 124.8345 57.3385 29.5342 175.9647 3 F 4.3026 9.8541 123.8147 57.8492 38.5699 173.9747 4 K 4.6986 7.6911 120.7700 55.2788 34.0965 175.6208 5 V 4.6405 8.2836 123.8033 61.5135 33.7016 174.2820 6 Y 5.3919 8.5379 124.0023 55.3658 42.3363 174.4900 7 T 4.3491 8.2547 114.8431 61.7445 69.2565 173.7897 8 Y 4.3991 8.2330 125.6021 58.7009 40.0397 176.0974 *14 Y 4.7229 7.2427 116.9850 57.5365 38.8036 174.9367 15 R 4.2405 7.7230 119.8030 55.9668 32.2522 177.3860 16 L 4.7996 8.0341 122.6447 52.8663 45.3116 175.2856 17 F 5.2643 7.8591 115.5324 55.7828 41.8553 172.8942 18 V 4.7648 8.9470 121.2881 61.3327 33.6630 174.2198 19 D 4.9513 9.1969 128.4959 54.3218 41.9611 176.4608 20 V 4.2994 8.5629 118.0137 61.0288 32.9564 175.7972 21 Q 4.1783 8.2866 122.2264 54.8761 29.4674 175.6308 22 S 4.1493 8.2890 117.6738 58.6008 62.9491 174.8030 23 D 4.5078 8.4470 125.0084 56.1776 40.9739 177.4307 24 I 3.9487 7.6807 118.8294 61.9598 37.5685 175.6636 25 I 4.1927 7.1820 120.7815 59.7167 37.0908 174.6036 26 D 4.8343 8.3211 125.9802 52.6523 42.1118 177.0818 27 T 3.9718 8.7464 121.9071 65.7283 68.5693 173.5135 28 P 4.6355 0.0000 0.0000 62.4848 32.0174 175.8870 29 G 3.8393 7.8151 106.5399 48.1846 0.0000 173.2087 30 R 5.3474 7.6647 117.5885 54.8575 35.0580 174.3601 31 R 4.6622 8.6668 117.5217 54.9833 35.0416 174.7973 32 M 4.6887 8.5954 122.7742 55.2836 33.2943 175.7776 33 V 4.9497 8.8089 116.4452 59.5168 36.6918 174.5879 34 I 4.8342 8.6006 123.8886 58.7052 39.7506 173.6834 35 P 4.9245 0.0000 0.0000 62.9118 32.6236 175.1812 36 L 5.3015 8.6636 121.8004 53.3478 43.7872 175.7818 37 A 5.0605 8.9791 122.9150 49.7790 23.2404 175.6680 38 S 3.6418 8.7804 114.3024 58.0032 63.1917 175.4312 39 A 4.0318 8.3409 130.7237 55.1816 18.3258 179.7881 40 R 3.9843 7.6842 113.6714 58.8785 30.2339 177.8098 41 L 4.1742 7.6602 116.6704 55.9059 41.9185 176.8787 42 L 4.7245 7.3434 118.1478 52.3964 44.7066 176.6387 43 S 4.4434 8.2544 116.8598 57.7570 63.9422 174.7529 44 D 4.5360 8.4035 119.9261 56.4037 40.6502 177.9845 45 K 4.1209 7.4291 116.8614 57.8258 32.3131 177.2319 46 V 3.8401 7.3925 119.6216 61.6211 32.1270 175.3801 47 S 4.0606 8.9455 120.9244 59.3900 62.0916 174.9038 48 R 4.6068 8.5448 124.8644 57.0066 31.0164 178.5900 49 E 3.9708 8.1877 118.2597 59.2484 29.8450 178.7497 50 L 3.9148 7.6253 118.7830 57.0445 42.2021 176.1852 51 Y 5.0246 7.5171 116.6395 53.8576 37.9488 173.5070 52 P 4.7270 0.0000 0.0000 62.0122 33.3480 175.2010 53 V 4.8411 8.3381 122.0324 60.3457 33.0705 175.3541 54 V 4.7429 9.1340 118.0695 59.7110 35.9225 173.9944 55 H 5.5030 8.9242 118.4339 54.3241 31.7475 174.1112 56 I 4.5039 8.8635 123.0961 61.0766 40.0264 175.7338 57 G 4.1951 8.5901 117.7853 46.2579 0.0000 173.8084 58 D 4.8330 8.8611 124.1282 53.7722 42.0999 175.7715 59 E 4.3613 7.7448 118.7226 55.3334 31.0643 174.9957 60 S 5.0252 7.9182 117.2901 56.8916 65.3567 173.2423 61 W 5.4556 9.2981 123.1476 55.0518 33.5199 174.3203 62 R 5.1157 9.4436 121.9012 54.9701 31.9828 175.4082 63 M 4.5810 8.9169 123.3184 54.3619 33.1589 176.8476 64 M 4.8767 8.8067 128.2674 53.7767 30.9220 176.9927 65 T 3.8603 8.2619 119.7218 67.0390 69.1764 176.4273 66 T 4.1031 8.0473 107.7547 63.0425 69.0655 174.3193 67 D 4.8447 8.0807 121.9952 54.2281 41.2037 175.8725 68 M 4.3620 7.3968 119.1753 56.6011 32.6813 175.3554 69 A 4.6498 8.7556 124.9905 50.7470 23.5534 174.8981 70 S 4.7224 8.4871 114.7460 57.5433 63.4789 173.5585 71 V 4.5613 8.3851 127.0499 59.9617 34.6784 173.1091 72 P 4.7744 0.0000 0.0000 62.6756 32.0581 177.8219 73 V 3.6418 8.6964 115.8319 64.2921 31.6239 178.5108 74 S 4.2572 8.0544 113.1325 59.9742 63.0305 174.9331 75 V 4.1144 7.4957 119.2315 61.2882 31.8408 175.7468 76 I 4.3203 7.5160 122.8453 61.1848 38.0150 175.8816 77 G 4.1621 8.5994 119.8522 46.4102 0.0000 173.1517 78 E 4.4682 8.8217 121.9522 56.0628 31.2204 176.0257 79 E 4.1102 8.8351 124.2880 56.5249 29.6140 176.1762 80 V 4.1456 8.6899 127.2993 64.6213 33.1596 174.9565 81 A 4.5479 7.2430 119.6356 51.2281 22.9455 174.5226 82 D 5.1437 8.5446 117.7235 52.8291 43.6926 175.4421 83 L 4.7264 8.9196 127.3746 54.4668 42.6360 179.0141 84 S 3.9382 8.8524 118.9726 61.8466 62.8664 176.5721 85 H 4.3044 8.2030 113.9563 57.5032 28.6377 176.4899 86 R 4.3465 7.4465 119.0975 55.8162 30.0531 176.9874 87 E 3.0723 7.5402 122.5953 59.5789 29.3615 178.9608 88 N 4.2963 7.9315 115.4856 56.4463 38.6848 177.0433 89 D 4.3353 7.9043 119.7470 57.3345 41.0371 178.7103 90 I 3.7274 7.7135 120.3449 64.2002 37.0422 178.3327 91 K 4.0262 8.2865 120.6306 59.7507 32.0396 178.5905 92 N 4.3449 8.2690 116.5155 56.0621 38.4218 177.2802 93 A 4.0944 7.9908 123.4814 54.7192 18.4667 179.7914 94 I 3.6177 7.7911 118.2166 64.7220 37.1540 178.5353 95 N 4.5046 8.5199 117.5331 56.1180 38.3206 177.3237 96 L 4.0472 8.0631 121.9289 58.3664 41.9926 178.6859 97 M 3.7348 7.5450 116.9619 58.0764 32.0817 177.7029 98 F 3.9748 7.1652 116.2909 58.7660 39.4929 176.8458 99 W 5.0132 7.6437 114.8511 55.7480 29.2979 176.0644 100 G 3.8564 8.6623 106.1936 46.6773 0.0000 174.3341 101 I 3.6181 8.0963 125.0807 61.4625 36.8356 173.7847 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 M 8.16 4.63 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 2 Q 9.11 3.72 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.96 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 3 F 9.85 4.30 0.00 3.26 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 4 K 7.69 4.70 0.00 1.58 1.08 0.00 1.75 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.56 7.81 5 V 8.28 4.64 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 0.65 0.00 0.00 0.82 0.00 0.00 6 Y 8.54 5.39 0.00 2.76 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 7 T 8.25 4.35 4.19 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 1.23 0.00 0.00 8 Y 8.23 4.40 0.00 2.93 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 *14 Y 7.24 4.72 0.00 2.97 3.05 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 15 R 7.72 4.24 0.00 1.93 1.82 0.00 3.28 0.00 0.00 3.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 16 L 8.03 4.80 0.00 0.85 0.91 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.86 5.26 0.00 3.13 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 18 V 8.95 4.76 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 1.17 0.00 0.00 0.94 0.00 0.00 19 D 9.20 4.95 0.00 3.15 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 20 V 8.56 4.30 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 0.87 0.00 0.00 0.98 0.00 0.00 21 Q 8.29 4.18 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 S 8.29 4.15 0.00 3.85 3.68 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 23 D 8.45 4.51 0.00 2.68 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 24 I 7.68 3.95 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.36 0.90 0.00 0.00 25 I 7.18 4.19 1.84 0.00 0.00 0.84 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 0.80 0.89 0.00 0.00 26 D 8.32 4.83 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 3.97 4.42 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 1.19 0.00 0.00 28 P 0.00 4.64 0.00 2.14 2.12 0.00 3.74 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 1.88 1.92 0.00 29 G 7.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 5.35 0.00 1.60 1.87 0.00 3.16 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 31 R 8.67 4.66 0.00 1.57 1.68 0.00 3.23 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 32 M 8.60 4.69 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 33 V 8.81 4.95 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 0.46 0.00 0.00 0.44 0.00 0.00 34 I 8.60 4.83 1.92 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 1.30 0.78 0.99 0.00 0.00 35 P 0.00 4.92 0.00 2.12 2.16 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 36 L 8.66 5.30 0.00 1.23 1.60 0.51 0.68 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 37 A 8.98 5.06 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 38 S 8.78 3.64 0.00 3.61 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 39 A 8.34 4.03 1.23 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 0.00 0.00 40 R 7.68 3.98 0.00 1.71 1.94 0.00 3.14 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 41 L 7.66 4.17 0.00 1.82 1.68 0.87 0.92 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 42 L 7.34 4.72 0.00 1.51 1.45 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.25 4.44 0.00 3.98 3.98 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 D 8.40 4.54 0.00 2.67 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 45 K 7.43 4.12 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.37 7.81 46 V 7.39 3.84 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 0.70 0.00 0.00 0.87 0.00 0.00 47 S 8.95 4.06 0.00 3.93 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 48 R 8.54 4.61 0.00 1.94 1.97 0.00 3.47 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 49 E 8.19 3.97 0.00 1.97 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 2.40 2.23 0.00 50 L 7.63 3.91 0.00 1.39 1.33 0.55 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.52 5.02 0.00 3.09 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 52 P 0.00 4.73 0.00 2.10 2.00 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 53 V 8.34 4.84 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 0.77 0.00 0.00 0.96 0.00 0.00 54 V 9.13 4.74 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 0.77 0.00 0.00 1.10 0.00 0.00 55 H 8.92 5.50 0.00 3.05 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.86 4.50 2.03 0.00 0.00 0.48 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 1.04 0.91 0.00 0.00 57 G 8.59 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 58 D 8.86 4.83 0.00 2.68 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 59 E 7.74 4.36 0.00 2.21 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 2.21 2.33 0.00 60 S 7.92 5.03 0.00 3.58 3.60 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 0.00 0.00 0.00 0.00 61 W 9.30 5.46 0.00 3.20 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 62 R 9.44 5.12 0.00 1.72 1.87 0.00 3.39 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 63 M 8.92 4.58 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 64 M 8.81 4.88 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 65 T 8.26 3.86 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 1.06 0.00 0.00 66 T 8.05 4.10 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 1.13 0.00 0.00 67 D 8.08 4.84 0.00 2.81 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 68 M 7.40 4.36 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 69 A 8.76 4.65 1.13 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 0.00 0.00 70 S 8.49 4.72 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.56 1.76 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 0.90 0.00 0.00 0.72 0.00 0.00 72 P 0.00 4.77 0.00 2.24 2.15 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 73 V 8.70 3.64 2.02 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 0.83 0.00 0.00 0.93 0.00 0.00 74 S 8.05 4.26 0.00 3.95 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 75 V 7.50 4.11 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 0.87 0.00 0.00 0.66 0.00 0.00 76 I 7.52 4.32 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.47 0.00 0.00 77 G 8.60 4.16 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 0.00 78 E 8.82 4.47 0.00 1.99 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 2.34 0.00 79 E 8.84 4.11 0.00 2.04 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 2.10 1.88 0.00 80 V 8.69 4.15 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 0.76 0.00 0.00 0.90 0.00 0.00 81 A 7.24 4.55 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 82 D 8.54 5.14 0.00 2.58 2.53 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 83 L 8.92 4.73 0.00 1.66 1.49 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.85 3.94 0.00 3.90 3.95 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 0.00 0.00 0.00 85 H 8.20 4.30 0.00 3.24 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.45 4.35 0.00 1.74 1.82 0.00 3.25 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.63 0.00 87 E 7.54 3.07 0.00 1.52 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 2.25 2.26 0.00 88 N 7.93 4.30 0.00 2.76 2.83 0.00 0.00 7.11 8.08 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 89 D 7.90 4.34 0.00 2.78 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 90 I 7.71 3.73 1.85 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 1.43 0.95 1.11 0.00 0.00 91 K 8.29 4.03 0.00 1.99 2.02 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.58 7.81 92 N 8.27 4.34 0.00 2.95 2.85 0.00 0.00 6.94 7.26 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 93 A 7.99 4.09 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 94 I 7.79 3.62 1.98 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 1.59 1.47 1.18 0.00 0.00 95 N 8.52 4.50 0.00 2.87 3.07 0.00 0.00 6.71 7.48 0.00 0.00 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 L 8.06 4.05 0.00 1.79 1.85 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.55 3.73 0.00 1.56 1.71 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.74 0.00 98 F 7.17 3.97 0.00 1.52 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 99 W 7.64 5.01 0.00 3.31 3.15 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 0.00 100 G 8.66 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 0.00 0.00 0.00 101 I 8.10 3.62 1.90 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 1.28 0.74 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.