NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3383 8.1749 117.3749 62.4052 69.9253 173.3780 2 P 4.2782 0.0000 0.0000 62.5857 31.7485 175.3822 3 Q 4.3328 8.3107 119.1158 56.9706 30.6386 174.8028 4 N 4.8440 7.4050 113.8186 51.4912 39.9357 175.1186 5 I 3.7356 8.1892 118.4973 64.1790 38.4122 177.2794 6 T 4.0184 8.0209 116.3071 66.7067 68.5010 175.3628 7 D 4.4610 8.7090 120.4837 57.2848 41.0941 178.6894 8 L 4.0248 8.0176 118.7378 55.4314 41.1589 178.0624 *10 A 4.3604 7.9601 119.3629 51.2742 20.1560 178.2440 11 E 4.0706 8.0472 114.1760 57.4250 29.8982 176.3570 12 Y 4.6651 7.5388 115.7203 56.0102 40.8202 175.2173 13 H 4.5777 8.6815 119.5838 56.6668 29.8478 174.4576 14 N 4.3594 8.9442 115.8787 55.0356 35.8795 173.8780 15 T 5.3091 7.9237 105.6986 60.2564 72.2916 172.5726 16 Q 4.6015 8.7468 119.1509 55.0195 32.6240 173.3640 17 I 4.6711 8.1502 120.5364 60.6486 38.8230 174.9218 18 H 4.8455 9.0605 123.3897 54.3063 31.5225 173.0926 19 T 4.6220 8.5403 120.0818 62.4873 69.1552 173.8546 20 L 4.0861 8.7850 126.9005 55.1702 42.8010 177.4232 21 N 4.1751 7.7750 114.2512 53.2663 36.1651 172.3552 22 D 4.6595 7.9722 116.1413 52.9415 45.1646 174.5131 23 K 4.9229 8.3607 121.9505 55.4980 33.6623 176.6291 24 I 3.3490 8.1001 120.9763 61.2223 37.6168 176.1746 25 F 4.5886 8.8319 128.9806 60.5944 40.0220 175.7309 26 S 4.4661 7.8381 108.7211 56.6209 66.7587 172.5195 27 Y 4.8756 7.7384 121.8001 56.0757 41.1909 174.5649 28 T 4.6070 8.0277 122.7289 61.5447 72.4607 172.7976 29 E 4.9414 8.4596 122.2205 54.6924 33.1391 174.4486 30 S 4.7821 8.8615 115.8852 56.3667 65.9253 174.0583 31 L 4.6653 8.4853 124.1986 55.1450 41.0205 176.3301 32 A 4.0959 7.9204 123.8131 51.8892 18.8643 177.8727 33 G 3.9850 8.4376 111.1918 46.9128 0.0000 174.0354 34 K 4.0845 8.8885 121.0137 56.8280 30.4680 176.4433 35 R 4.7023 7.9427 117.7661 55.8209 31.1114 176.6234 36 E 4.8853 8.3732 118.9432 55.1825 29.1850 176.0592 37 M 4.9067 8.0437 120.8213 53.8258 35.6841 173.3511 38 A 5.0794 8.4658 118.4174 50.1455 22.9505 175.1956 39 I 5.0584 8.4467 120.8044 59.3837 41.1078 174.7333 40 I 5.1081 8.9220 119.8737 59.2984 40.9378 174.4438 41 T 5.2740 8.5431 112.6534 60.2384 72.5709 172.6069 42 F 5.2973 8.9020 120.9133 55.3185 41.8766 177.1850 43 K 3.4861 9.0274 119.7232 59.2607 32.4894 177.5027 44 N 4.4808 8.1865 115.4622 53.2016 37.5142 175.8370 45 G 3.8471 8.2502 108.1336 44.8976 0.0000 173.8752 46 A 4.0245 8.3632 122.8055 52.3485 19.5211 176.7624 47 T 4.9997 7.7733 117.8590 61.6871 71.6530 173.4724 48 F 5.2889 9.3637 124.3402 55.6303 43.2269 173.8728 49 Q 5.1416 9.0952 118.4442 54.5251 31.8759 174.6232 50 V 4.3489 8.5110 121.1675 61.3042 32.6598 175.2042 51 E 4.4291 8.8942 127.6041 55.6933 30.3039 177.3413 52 V 3.9292 8.2411 122.2469 61.8868 32.1719 174.1579 53 P 4.3081 0.0000 0.0000 63.1500 31.9928 175.8325 54 G 4.2758 8.4260 109.7835 43.7705 0.0000 172.6558 55 S 4.1871 8.6125 114.2739 60.9783 62.9949 175.5671 56 Q 4.0228 7.8994 117.5417 57.5933 28.8348 175.0070 57 H 5.0606 7.6804 116.9679 54.0142 30.5636 174.8768 58 I 4.1728 8.7840 117.8000 59.8996 38.9930 176.3112 59 D 4.3543 8.7880 120.4696 57.7549 40.6339 178.6795 60 S 4.2167 8.1432 113.9405 61.4445 62.7845 176.1613 61 Q 4.1138 8.2618 121.3065 57.8762 28.5226 178.3558 62 K 3.8987 8.0324 120.2484 59.6352 32.1151 179.3996 63 K 4.0473 8.0597 117.7018 59.2388 31.8912 179.1711 64 A 4.0372 7.4388 120.8281 54.8673 18.3235 179.7450 65 I 3.6660 8.0727 118.8678 64.6005 37.1625 178.4362 66 E 3.9818 8.0536 118.9488 59.4137 29.2348 179.3642 67 R 3.8942 8.2383 118.8823 59.5497 30.0257 178.1539 68 M 4.0431 8.2712 118.2451 58.7319 32.2608 178.3541 69 K 4.0913 8.0818 118.4294 59.4966 32.1806 178.9670 70 D 4.3690 8.1457 119.1864 57.7658 40.7023 179.0342 71 T 3.8693 8.2100 116.4343 66.6887 68.3843 176.7481 72 L 4.0373 8.3060 121.2053 57.6070 41.5893 179.4099 73 R 2.9043 7.8407 118.6257 59.3629 30.0154 178.5216 74 I 3.6146 7.7177 118.0411 63.6992 37.9188 177.6503 75 A 3.9698 8.2432 122.0921 55.2256 18.3220 178.8724 76 Y 3.9368 8.2198 118.2837 61.0237 38.6855 178.5237 77 L 3.7946 7.9327 118.4914 56.9660 41.7725 178.5073 78 T 4.2164 7.6657 107.3107 60.5553 69.3509 174.3611 79 E 3.6184 7.6635 119.2736 57.2617 27.3250 174.3932 80 A 4.1643 7.7368 120.4689 51.7618 19.6033 177.8941 81 K 4.3640 8.6691 123.8843 56.3582 33.8340 175.7263 82 V 3.9406 8.8959 128.5475 62.5464 32.3961 175.2844 83 E 4.4217 9.4407 131.2671 57.0603 29.7140 175.7298 84 K 5.0816 8.4908 116.9587 54.4539 37.2110 174.5980 85 L 4.9518 8.5895 121.8908 53.0663 45.1977 175.0108 86 C 4.8149 8.7388 124.0865 58.0854 33.0984 172.8453 87 V 4.7792 8.5761 118.9708 59.1330 36.1776 174.6372 88 W 4.8450 9.2433 123.5587 55.9289 30.1202 176.5466 89 N 4.4739 8.8645 122.9981 52.2627 37.5892 175.1792 90 N 5.0110 8.2928 114.1449 52.9792 37.6393 174.1215 91 K 4.7625 7.7762 116.6336 55.5526 36.2491 175.2721 92 T 4.7905 8.2274 116.7738 60.9986 71.4451 172.5230 93 P 4.4789 0.0000 0.0000 62.5085 32.5300 175.8447 94 H 4.7634 9.1220 117.5981 56.1144 30.1596 173.9977 95 A 5.3836 8.8841 123.7683 50.3049 21.0789 176.4277 96 I 4.1819 9.0214 124.8548 61.7164 37.1044 175.7541 97 A 4.4842 8.7543 128.6990 53.1490 20.6315 176.4145 98 A 4.5648 7.2464 114.1321 51.0283 22.8642 175.1685 99 I 5.0249 8.1625 118.7077 59.1924 41.3703 174.5085 100 S 4.8940 9.0911 122.8788 56.7392 66.1329 172.6128 101 M 5.2373 8.4984 120.8053 53.6750 34.5014 174.7076 102 A 4.5028 8.4240 123.8037 51.8149 23.0050 175.9838 103 N 4.5359 8.7448 116.2281 53.8795 38.5535 174.5907 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 8.17 4.34 4.25 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 1.22 0.00 0.00 2 P 0.00 4.28 0.00 2.13 2.05 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 3 Q 8.31 4.33 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 4 N 7.40 4.84 0.00 2.88 2.87 0.00 0.00 5.91 7.85 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 5 I 8.19 3.74 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.86 0.00 0.00 6 T 8.02 4.02 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 1.19 0.00 0.00 7 D 8.71 4.46 0.00 2.63 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 8 L 8.02 4.02 0.00 1.84 1.78 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *10 A 7.96 4.36 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 11 E 8.05 4.07 0.00 1.85 1.63 0.00 0.00 0.00 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 2.47 0.00 12 Y 7.54 4.67 0.00 2.87 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 13 H 8.68 4.58 0.00 3.26 3.31 0.00 6.05 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 8.94 4.36 0.00 3.22 3.06 0.00 0.00 6.39 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 7.92 5.31 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 0.79 0.00 0.00 16 Q 8.75 4.60 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 17 I 8.15 4.67 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.85 0.00 0.00 18 H 9.06 4.85 0.00 2.94 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.62 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 1.17 0.00 0.00 20 L 8.78 4.09 0.00 1.33 1.32 0.56 0.99 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 21 N 7.77 4.18 0.00 2.82 2.79 0.00 0.00 6.50 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 22 D 7.97 4.66 0.00 2.96 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 23 K 8.36 4.92 0.00 1.94 1.96 0.00 1.20 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 I 8.10 3.35 2.04 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 1.06 0.60 0.93 0.00 0.00 25 F 8.83 4.59 0.00 3.10 3.21 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 26 S 7.84 4.47 0.00 3.70 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 27 Y 7.74 4.88 0.00 2.37 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 0.00 0.00 0.00 28 T 8.03 4.61 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 1.08 0.00 0.00 29 E 8.46 4.94 0.00 1.85 1.62 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 2.21 2.30 0.00 30 S 8.86 4.78 0.00 3.84 3.73 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 0.00 0.00 0.00 31 L 8.49 4.67 0.00 1.74 1.71 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.92 4.10 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 8.44 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 0.00 0.00 0.00 34 K 8.89 4.08 0.00 1.99 2.00 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 R 7.94 4.70 0.00 1.71 1.84 0.00 3.31 0.00 0.00 3.21 7.30 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 4.89 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 2.39 2.30 0.00 37 M 8.04 4.91 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 38 A 8.47 5.08 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 8.45 5.06 1.75 0.00 0.00 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 1.24 0.62 0.92 0.00 0.00 40 I 8.92 5.11 1.80 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 1.02 0.00 0.00 41 T 8.54 5.27 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 1.21 0.00 0.00 42 F 8.90 5.30 0.00 3.30 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 43 K 9.03 3.49 0.00 1.67 2.00 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.32 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.44 7.81 44 N 8.19 4.48 0.00 2.86 2.99 0.00 0.00 6.27 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 8.25 3.85 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 0.00 46 A 8.36 4.02 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 47 T 7.77 5.00 4.03 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 1.17 0.00 0.00 48 F 9.36 5.29 0.00 3.08 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 49 Q 9.10 5.14 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 50 V 8.51 4.35 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 1.00 0.00 0.00 1.01 0.00 0.00 51 E 8.89 4.43 0.00 1.97 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 2.50 2.26 0.00 52 V 8.24 3.93 2.09 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 0.97 0.00 0.00 1.05 0.00 0.00 53 P 0.00 4.31 0.00 2.08 1.97 0.00 3.69 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 2.02 2.06 0.00 54 G 8.43 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.19 0.00 3.83 3.91 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 56 Q 7.90 4.02 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.90 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 57 H 7.68 5.06 0.00 3.29 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.78 4.17 1.90 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 1.43 0.83 0.94 0.00 0.00 59 D 8.79 4.35 0.00 2.82 2.73 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 0.00 0.00 0.00 60 S 8.14 4.22 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 8.26 4.11 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 62 K 8.03 3.90 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.64 7.81 63 K 8.06 4.05 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 A 7.44 4.04 1.38 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 65 I 8.07 3.67 1.99 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.03 0.90 0.00 0.00 66 E 8.05 3.98 0.00 2.16 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 2.54 2.47 0.00 67 R 8.24 3.89 0.00 1.88 2.10 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 8.27 4.04 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.08 4.09 0.00 2.07 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.65 7.81 70 D 8.15 4.37 0.00 2.92 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 71 T 8.21 3.87 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 1.23 0.00 0.00 72 L 8.31 4.04 0.00 1.91 1.94 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.84 2.90 0.00 1.30 1.86 0.00 3.01 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.00 74 I 7.72 3.61 1.83 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 1.43 1.02 0.98 0.00 0.00 75 A 8.24 3.97 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 76 Y 8.22 3.94 0.00 3.05 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 77 L 7.93 3.79 0.00 1.58 1.63 0.88 0.80 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 78 T 7.67 4.22 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 1.22 0.00 0.00 79 E 7.66 3.62 0.00 2.09 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 0.00 2.03 2.07 0.00 80 A 7.74 4.16 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 8.67 4.36 0.00 1.88 1.82 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 82 V 8.90 3.94 2.44 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 0.91 0.00 0.00 1.15 0.00 0.00 83 E 9.44 4.42 0.00 2.06 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 2.26 2.24 0.00 84 K 8.49 5.08 0.00 1.62 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.59 4.95 0.00 1.07 1.18 0.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.74 4.81 0.00 2.83 2.56 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 0.00 0.00 0.00 0.00 87 V 8.58 4.78 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 0.64 0.00 0.00 1.17 0.00 0.00 88 W 9.24 4.85 0.00 3.38 3.24 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 89 N 8.86 4.47 0.00 2.54 2.66 0.00 0.00 6.92 7.35 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 90 N 8.29 5.01 0.00 2.87 2.98 0.00 0.00 5.98 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 7.78 4.76 0.00 1.86 1.74 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 92 T 8.23 4.79 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 1.20 0.00 0.00 93 P 0.00 4.48 0.00 1.92 1.97 0.00 3.71 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 2.03 2.08 0.00 94 H 9.12 4.76 0.00 3.39 3.48 0.00 5.89 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 8.88 5.38 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 96 I 9.02 4.18 1.97 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 1.12 0.82 0.94 0.00 0.00 97 A 8.75 4.48 -0.13 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 98 A 7.25 4.56 1.08 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 0.00 0.00 99 I 8.16 5.02 1.86 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 0.98 0.91 0.00 0.00 100 S 9.09 4.89 0.00 3.85 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 0.00 101 M 8.50 5.24 0.00 1.88 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 2.63 0.00 102 A 8.42 4.50 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 8.74 4.54 0.00 2.90 2.85 0.00 0.00 6.81 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.