NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.7090 8.1844 120.5887 54.8131 43.2241 175.4470 14 S 4.6159 9.2672 118.4334 55.6725 66.3132 171.3572 15 N 4.7771 8.5315 125.2609 52.4339 38.4330 174.6750 16 I 4.0244 8.4928 116.7122 61.1234 38.5606 177.5839 17 A 4.0476 8.1196 125.1410 55.1117 18.3964 177.3488 18 L 4.1690 7.1491 114.6296 56.7184 41.7406 177.4536 19 T 3.4069 8.5622 112.0069 61.8008 68.1533 172.2800 20 K 4.1033 7.9357 121.3960 56.6613 32.7807 176.1654 21 E 4.3036 8.5978 120.4066 56.6647 30.2011 176.3693 22 T 4.9598 8.4297 114.0499 60.0907 72.6513 172.7179 23 R 4.6394 8.6128 118.0885 56.0092 33.4952 173.1255 24 Q 4.3437 8.0836 116.5997 54.7252 31.0641 174.5807 25 S 3.3941 6.9105 114.8497 61.1761 63.5198 174.0852 26 S 4.5102 7.0990 112.5696 57.8385 65.9792 173.9854 27 T 5.1336 8.3464 115.4255 61.9335 71.7783 173.3681 28 D 4.4878 8.8413 124.6793 52.9139 45.2334 174.6694 29 Y 3.7713 8.2856 118.5943 59.6646 35.0478 169.5082 30 N 3.4796 8.3524 112.4230 54.0872 37.0772 176.0979 31 G 3.9156 7.6461 107.2071 44.1702 0.0000 174.4728 32 F 4.8286 6.7183 119.5621 57.3849 40.0266 177.0367 33 S 4.6588 9.2417 119.7703 62.2213 62.2868 177.1166 34 R 4.3226 8.1213 119.5106 57.9629 29.0586 178.4056 35 L 4.0813 8.1052 119.0239 57.0126 41.8302 178.0081 36 A 4.5886 8.1730 119.4539 52.6322 18.6869 178.2237 37 V 4.8596 8.1058 111.3089 61.1356 33.1606 176.5453 38 D 4.5865 8.4622 117.8299 53.4120 39.6939 176.8727 39 G 3.8034 8.4281 107.9886 45.8629 0.0000 172.7956 40 N 4.7768 8.3396 117.6804 51.5486 40.3025 174.2589 41 K 4.0432 8.4082 124.2642 56.1703 32.5124 176.5719 42 N 4.1424 8.4249 119.5104 54.2199 39.0102 174.5210 43 G 3.8884 8.5782 113.3401 45.2691 0.0000 172.0519 44 D 4.6987 8.6329 121.8309 53.4409 41.5148 176.0999 45 Y 3.7504 9.4960 129.7201 60.6992 38.7891 177.9306 46 G 3.8428 7.7062 104.2111 46.4873 0.0000 173.6793 47 H 4.2265 8.4017 116.9992 55.8439 28.9015 175.4453 48 H 4.0419 7.8669 115.6140 57.2040 26.4960 174.7822 49 S 4.7354 7.3935 109.7240 57.8457 63.8727 172.6900 50 V 4.6720 7.4146 117.1334 60.4059 33.7779 175.3438 51 T 4.3471 8.7220 118.1467 62.3720 70.7673 173.1462 52 H 4.9892 9.1679 120.3301 56.6346 33.2212 173.2985 53 T 5.1861 8.4446 116.9538 59.9022 70.5682 174.5948 54 K 4.1199 8.2388 122.0664 56.2022 33.0782 178.0424 55 E 4.3768 8.3438 120.0497 55.9837 27.2402 175.9839 56 D 4.6959 8.4639 124.1183 53.2243 43.8297 176.6906 57 S 4.8551 8.1937 114.1117 56.3978 62.3917 172.2243 58 P 4.8934 0.0000 0.0000 61.2585 33.5590 176.6411 59 S 4.4754 8.3855 115.2486 58.4494 64.0858 173.5253 60 W 5.8342 8.1920 119.5606 55.4371 32.2111 173.0769 61 W 5.8638 9.8418 129.4327 56.1704 34.0977 173.1266 62 E 5.1013 8.8849 125.6726 54.5125 33.4162 173.5922 63 I 4.4873 8.6035 125.0011 59.0310 41.4601 173.3740 64 D 5.0873 8.6511 129.4308 52.6694 41.7360 176.0011 65 L 4.1863 9.2819 126.2474 55.5085 41.4683 177.2343 66 A 4.1362 10.0496 122.7231 52.0031 18.2911 177.6525 67 Q 4.6688 7.3323 110.2237 54.9395 31.8501 174.7872 68 T 4.2325 8.5256 116.4327 64.3778 69.0555 173.7486 69 E 4.7956 9.2747 124.3987 54.4362 34.4303 174.8534 70 E 4.6564 8.8152 121.9343 56.0911 30.2504 176.0430 71 L 4.4835 9.0084 126.3698 53.8728 43.0886 177.2339 72 E 4.2560 9.5199 124.0824 57.9214 31.3268 176.2074 73 K 5.0505 7.9138 118.7567 54.7547 36.3936 174.1776 74 L 5.3030 9.3500 128.1887 53.3547 44.9918 174.8992 75 I 4.9589 9.1299 127.0330 59.5785 40.4696 174.3329 76 I 4.8014 8.4186 127.7949 59.7007 39.8760 174.0580 77 Y 4.8685 9.2117 125.5906 56.1962 39.8142 175.2811 78 N 4.8412 9.0859 124.0378 52.5304 40.2250 174.5633 79 R 4.3281 8.5641 122.9331 57.2899 30.1838 176.1509 80 T 4.6179 8.7815 112.6493 61.4399 70.5699 175.0910 81 D 4.4058 8.3144 120.9359 55.9541 39.8798 175.6308 82 A 4.3787 7.9061 119.1222 51.5415 21.9541 174.3824 83 E 4.3035 8.9494 114.8131 56.0604 27.2735 177.6773 84 I 3.8545 7.7200 113.1143 63.3940 38.1599 177.7122 85 Q 4.0922 8.0192 118.9602 58.4554 28.7211 178.4235 86 R 3.9442 7.7502 117.7121 58.7005 30.2404 177.0630 87 L 4.2267 7.2414 121.1445 52.8762 40.3263 175.2284 88 S 4.7393 8.0965 115.2989 57.2276 66.5961 174.3553 89 N 4.1942 9.4099 118.9892 54.8179 37.3387 172.2230 90 F 5.5527 8.2111 114.4487 55.3052 42.2896 175.0506 91 D 5.4075 9.3405 119.0621 52.6737 44.1257 175.3081 92 I 5.0848 8.7374 123.4165 59.8607 39.5720 174.6968 93 I 4.8778 8.9066 127.6775 59.4445 40.5838 174.4174 94 I 4.9215 8.7223 127.8034 59.7434 39.8261 174.3974 95 Y 5.4041 8.9338 123.6687 56.1697 42.0317 175.7000 96 D 5.0543 9.1170 122.2561 52.2814 41.2318 177.1730 97 S 4.2837 8.6243 112.6619 60.6071 62.0347 174.3979 98 N 4.7140 8.7692 118.7190 52.8953 38.4300 175.2434 99 D 4.4590 8.1001 116.1333 55.2681 38.9800 173.1297 100 Y 4.6918 7.4246 117.3400 56.0316 39.4203 175.0349 101 E 4.2787 9.0779 124.5967 56.9365 30.0501 176.7557 102 V 4.4541 8.4327 118.4313 61.0894 33.5938 175.6019 103 F 4.6709 7.2749 120.1752 57.6918 43.3722 172.7059 104 T 4.7903 7.8417 121.5109 61.6676 72.3076 173.0052 105 Q 4.2290 8.8646 126.1726 54.4898 32.6243 173.0066 106 H 5.1710 8.6149 125.6789 54.1728 31.6580 173.8492 107 I 4.1128 7.8985 126.4135 59.7697 39.2763 175.9894 108 D 4.4138 8.7885 127.4950 56.5591 41.5622 176.4920 109 S 4.8201 7.6506 108.7689 57.5639 65.4156 173.5403 110 L 4.6729 8.3327 121.0597 53.5435 42.9929 176.7497 111 E 4.2870 8.7698 121.7348 57.3204 30.5077 175.8442 112 S 4.9089 7.5306 112.9229 56.2462 65.8337 173.7963 113 N 4.9442 8.6222 116.5815 53.9704 37.7397 173.9092 114 N 5.2155 7.7434 115.8389 52.2182 40.9071 173.5583 115 L 4.7125 8.6031 121.0401 53.4772 45.7826 174.6492 116 S 5.2679 8.7416 120.2649 56.5867 64.8544 172.9503 117 I 4.6491 9.0031 127.0323 59.6318 40.3693 174.6149 118 D 4.9560 8.8277 126.9163 53.7816 41.9293 176.2877 119 L 4.3037 8.9413 121.2443 53.7611 43.4364 176.6347 120 K 3.8448 8.9580 117.7632 57.4558 29.4272 175.3709 121 G 3.8300 8.1166 103.9831 45.2875 0.0000 172.9261 122 L 3.7439 7.5776 121.5612 55.0382 42.8835 176.2793 123 K 4.8332 8.7554 126.2193 56.0611 32.8361 176.4733 124 G 4.3052 9.0878 111.1424 45.2066 0.0000 172.7712 125 K 4.6421 9.3470 120.4016 56.1475 35.0459 175.7707 126 K 5.2520 7.9914 117.8101 54.9111 37.0910 175.2836 127 V 4.9709 8.9377 122.5006 61.2742 35.0311 173.9772 128 R 5.4162 9.3579 127.9585 54.6974 33.1664 174.0359 129 I 5.1606 9.6189 126.8941 59.7192 40.1738 174.5614 130 S 5.2197 9.3677 121.3978 56.5426 65.6333 173.0538 131 L 4.6891 8.9680 127.7715 55.0385 41.6667 177.6086 132 R 4.2386 8.9685 121.2761 57.2266 30.7191 176.9123 133 S 4.4728 7.9842 114.8457 56.7768 62.9128 173.5126 134 A 4.1902 8.3913 129.0288 53.6229 18.6232 177.4741 135 G 4.0123 9.1875 110.1408 44.8521 0.0000 173.3256 136 I 4.5142 6.7389 120.4880 58.8549 38.8445 174.0750 137 P 4.6160 0.0000 0.0000 62.4140 32.4566 175.3323 138 L 4.5134 8.9609 126.3209 53.9033 43.6484 175.3381 139 S 5.3510 8.3471 121.0707 55.5598 66.9720 172.7185 140 L 4.6580 8.7764 124.2498 52.8175 44.1071 177.5104 141 A 4.0754 8.6304 126.1103 54.3566 19.0980 177.4451 142 E 4.8253 7.7307 112.8951 55.3055 33.2628 174.5129 143 V 4.6950 8.7379 126.3162 61.3028 33.8328 174.2747 144 E 4.7792 9.7951 128.8573 54.5400 32.4541 175.3987 145 V 4.7293 8.6338 123.5422 61.4831 34.4076 173.5467 146 Y 5.8240 9.2309 126.9090 56.2373 39.8211 175.2970 147 T 4.8130 8.8254 115.3246 61.8136 73.0730 174.1344 *148 Y 4.4069 9.2101 124.0395 55.8919 32.4649 170.0604 *149 K 4.1027 9.1941 121.3736 56.3361 32.7244 176.3664 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 13 L 8.18 4.71 0.00 1.57 1.87 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.27 4.62 0.00 3.90 3.70 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 15 N 8.53 4.78 0.00 2.45 2.56 0.00 0.00 6.85 7.82 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 16 I 8.49 4.02 1.86 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 1.28 0.73 0.91 0.00 0.00 17 A 8.12 4.05 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 18 L 7.15 4.17 0.00 1.73 1.69 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.56 3.41 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 20 K 7.94 4.10 0.00 1.86 2.01 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.59 7.81 21 E 8.60 4.30 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 22 T 8.43 4.96 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 1.24 0.00 0.00 23 R 8.61 4.64 0.00 1.86 2.01 0.00 3.16 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 24 Q 8.08 4.34 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 25 S 6.91 3.39 0.00 3.48 2.63 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 0.00 0.00 0.00 26 S 7.10 4.51 0.00 3.79 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 27 T 8.35 5.13 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 D 8.84 4.49 0.00 2.62 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 0.00 0.00 0.00 29 Y 8.29 3.77 0.00 3.05 2.92 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 30 N 8.35 3.48 0.00 2.74 2.47 0.00 0.00 7.09 7.65 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 31 G 7.65 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 32 F 6.72 4.83 0.00 3.19 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 33 S 9.24 4.66 0.00 4.09 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 0.00 34 R 8.12 4.32 0.00 2.14 2.31 0.00 3.18 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 35 L 8.11 4.08 0.00 1.77 1.80 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.17 4.59 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 37 V 8.11 4.86 2.34 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 1.20 0.00 0.00 1.15 0.00 0.00 38 D 8.46 4.59 0.00 2.81 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 39 G 8.43 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 40 N 8.34 4.78 0.00 2.64 2.81 0.00 0.00 7.07 6.84 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 41 K 8.41 4.04 0.00 1.42 1.14 0.00 0.88 0.00 0.00 1.00 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.47 1.08 7.81 42 N 8.42 4.14 0.00 2.68 2.69 0.00 0.00 7.00 8.36 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 43 G 8.58 3.89 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 0.00 0.00 0.00 44 D 8.63 4.70 0.00 2.73 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 45 Y 9.50 3.75 0.00 3.22 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 46 G 7.71 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 47 H 8.40 4.23 0.00 3.37 3.29 0.00 5.94 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 48 H 7.87 4.04 0.00 3.25 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.39 4.74 0.00 3.79 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 50 V 7.41 4.67 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 1.01 0.00 0.00 0.88 0.00 0.00 51 T 8.72 4.35 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 52 H 9.17 4.99 0.00 3.48 3.52 0.00 5.62 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 53 T 8.44 5.19 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 1.19 0.00 0.00 54 K 8.24 4.12 0.00 1.74 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.32 7.81 55 E 8.34 4.38 0.00 1.85 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 0.00 2.32 2.36 0.00 56 D 8.46 4.70 0.00 2.59 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 57 S 8.19 4.86 0.00 3.74 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 58 P 0.00 4.89 0.00 2.39 2.24 0.00 3.94 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 2.24 2.12 0.00 59 S 8.39 4.48 0.00 3.86 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 60 W 8.19 5.83 0.00 3.57 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 61 W 9.84 5.86 0.00 3.37 2.95 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 62 E 8.88 5.10 0.00 2.18 1.67 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 2.09 2.36 0.00 63 I 8.60 4.49 1.50 0.00 0.00 1.00 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 1.25 1.13 0.00 0.00 64 D 8.65 5.09 0.00 2.63 2.50 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 65 L 9.28 4.19 0.00 1.63 1.71 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 A 10.05 4.14 1.42 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 0.00 0.00 0.00 67 Q 7.33 4.67 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 68 T 8.53 4.23 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 1.23 0.00 0.00 69 E 9.27 4.80 0.00 1.83 1.79 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 2.44 2.42 0.00 70 E 8.82 4.66 0.00 1.86 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 2.31 2.35 0.00 71 L 9.01 4.48 0.00 1.54 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.52 4.26 0.00 2.00 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 2.30 2.42 0.00 73 K 7.91 5.05 0.00 1.78 1.71 0.00 1.27 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.56 7.81 74 L 9.35 5.30 0.00 1.79 1.53 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.13 4.96 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 0.64 0.00 0.00 76 I 8.42 4.80 1.84 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.76 0.00 0.00 77 Y 9.21 4.87 0.00 3.05 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 78 N 9.09 4.84 0.00 2.66 2.71 0.00 0.00 7.19 7.24 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 79 R 8.56 4.33 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 80 T 8.78 4.62 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 1.30 0.00 0.00 81 D 8.31 4.41 0.00 2.82 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 82 A 7.91 4.38 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 83 E 8.95 4.30 0.00 2.06 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 2.25 2.11 0.00 84 I 7.72 3.85 1.87 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 1.47 0.82 1.00 0.00 0.00 85 Q 8.02 4.09 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 86 R 7.75 3.94 0.00 1.88 2.14 0.00 3.09 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 87 L 7.24 4.23 0.00 1.48 1.53 -0.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.10 4.74 0.00 4.21 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 89 N 9.41 4.19 0.00 2.95 2.88 0.00 0.00 7.05 6.32 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 90 F 8.21 5.55 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 91 D 9.34 5.41 0.00 2.66 2.59 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 92 I 8.74 5.08 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 1.14 0.00 0.00 93 I 8.91 4.88 1.65 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 1.16 0.77 0.42 0.00 0.00 94 I 8.72 4.92 2.01 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 1.37 1.36 1.00 0.00 0.00 95 Y 8.93 5.40 0.00 2.83 2.92 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 96 D 9.12 5.05 0.00 2.95 2.92 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 97 S 8.62 4.28 0.00 4.02 4.06 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 98 N 8.77 4.71 0.00 3.21 3.02 0.00 0.00 6.89 7.76 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 99 D 8.10 4.46 0.00 2.54 2.42 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 0.00 100 Y 7.42 4.69 0.00 3.46 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.08 4.28 0.00 1.96 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 2.21 2.11 0.00 102 V 8.43 4.45 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 0.86 0.00 0.00 1.09 0.00 0.00 103 F 7.27 4.67 0.00 3.06 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 0.00 104 T 7.84 4.79 4.00 0.00 0.00 0.00 0.00 0.00 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 0.00 105 Q 8.86 4.23 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 106 H 8.61 5.17 0.00 3.09 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.90 4.11 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.07 0.64 0.00 0.00 108 D 8.79 4.41 0.00 2.57 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 0.00 109 S 7.65 4.82 0.00 3.96 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 0.00 110 L 8.33 4.67 0.00 1.69 1.83 1.15 0.90 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 0.00 111 E 8.77 4.29 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 112 S 7.53 4.91 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.62 4.94 0.00 2.93 3.12 0.00 0.00 5.50 6.96 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 0.00 114 N 7.74 5.22 0.00 2.07 2.56 0.00 0.00 6.54 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 0.00 115 L 8.60 4.71 0.00 1.75 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.74 5.27 0.00 3.84 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 0.00 117 I 9.00 4.65 1.93 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 1.27 0.87 0.98 0.00 0.00 118 D 8.83 4.96 0.00 2.65 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 0.00 119 L 8.94 4.30 0.00 1.67 1.42 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.96 3.84 0.00 1.77 1.80 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 121 G 8.12 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.58 3.74 0.00 1.77 1.48 0.90 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.76 4.83 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 124 G 9.09 4.31 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 0.00 125 K 9.35 4.64 0.00 1.83 1.80 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 126 K 7.99 5.25 0.00 1.85 1.72 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.42 7.81 127 V 8.94 4.97 2.30 0.00 0.00 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 1.05 0.00 0.00 128 R 9.36 5.42 0.00 2.26 1.96 0.00 2.94 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 129 I 9.62 5.16 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.80 0.00 0.00 130 S 9.37 5.22 0.00 4.03 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 0.00 131 L 8.97 4.69 0.00 1.67 1.67 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.97 4.24 0.00 2.23 2.05 0.00 3.39 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 133 S 7.98 4.47 0.00 3.93 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 0.00 134 A 8.39 4.19 1.28 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 0.00 135 G 9.19 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 0.00 0.00 0.00 136 I 6.74 4.51 1.90 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 1.38 0.97 0.92 0.00 0.00 137 P 0.00 4.62 0.00 1.89 2.28 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 138 L 8.96 4.51 0.00 1.72 1.52 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.35 5.35 0.00 3.67 3.70 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 0.00 140 L 8.78 4.66 0.00 1.12 1.16 -0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.63 4.08 1.42 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 0.00 0.00 0.00 142 E 7.73 4.83 0.00 2.03 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 2.26 2.40 0.00 143 V 8.74 4.70 1.96 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 0.98 0.00 0.00 0.17 0.00 0.00 144 E 9.80 4.78 0.00 2.11 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 2.28 2.42 0.00 145 V 8.63 4.73 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 1.02 0.00 0.00 1.03 0.00 0.00 146 Y 9.23 5.82 0.00 3.13 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 0.00 147 T 8.83 4.81 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 *148 Y 9.21 4.41 0.00 2.43 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 0.00 0.00 0.00 *149 K 9.19 4.10 0.00 1.79 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.11 0.76 7.81 * Residues marked with a * may have inaccurate shift predictions.