NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.3556 8.1085 121.1163 56.6146 33.7161 175.1533 17 A 4.5121 8.6191 120.9601 49.6300 20.6673 174.4619 18 S 4.5202 8.4118 114.0136 57.0459 66.5602 171.7664 19 Y 4.6433 8.1741 119.7690 56.8393 39.9894 175.7173 20 S 4.4080 8.2246 115.9022 58.0762 63.5232 174.3000 21 D 4.4734 9.0718 129.3060 57.8077 40.7202 178.7508 22 E 3.9723 8.2148 118.3712 59.3891 29.2680 178.9455 23 D 4.3319 7.7542 117.4846 57.2998 41.0256 178.2463 24 L 3.9529 7.6753 119.2203 58.1810 42.3288 178.8081 25 V 3.6939 7.8984 117.9737 65.7807 31.4918 178.0443 26 A 4.0812 7.7663 116.2209 53.1891 17.8432 178.8405 *28 L 4.2825 7.7883 121.3152 56.1714 43.5566 179.0543 29 D 4.4282 8.4922 117.3566 56.7750 40.7607 177.6430 30 R 4.5756 7.5414 111.2360 55.7205 30.1151 175.5217 31 N 5.0196 7.9067 116.2932 51.7203 40.8468 174.3202 32 F 5.1613 8.1561 115.2881 56.6523 38.8845 174.5705 33 T 4.9763 7.2215 110.3980 60.7310 72.1896 172.0285 34 C 4.6570 8.2950 115.5375 57.9500 33.5210 172.1220 35 T 4.8183 8.7393 115.5745 61.7283 71.0273 173.8910 36 V 4.7557 8.9216 126.0496 61.2890 34.1941 174.2666 37 S 5.4474 9.3172 124.4775 56.9293 65.7655 173.2117 38 F 5.2117 8.6324 117.7654 56.1057 41.7719 172.6120 39 I 4.9596 8.3096 119.6785 59.7277 38.9797 175.4887 40 D 4.5018 9.3532 126.1910 53.2455 43.4466 175.4485 41 G 4.1044 9.6938 118.4792 47.0216 0.0000 172.6532 42 G 3.9986 8.2528 100.3450 45.9238 0.0000 172.5876 43 I 4.6109 7.4366 120.6139 58.2341 39.9137 173.3711 44 P 4.8308 0.0000 0.0000 62.9874 32.1017 175.1792 45 Y 4.4830 8.9712 119.8246 56.0342 42.1018 174.5133 46 A 5.0991 8.2543 122.2896 50.5664 22.0510 175.6040 47 I 4.8552 8.8706 116.1024 58.3459 41.2497 173.5530 48 P 5.1229 0.0000 0.0000 62.0755 32.7070 175.8709 *51 L 4.1499 8.3373 121.6866 55.1856 42.4631 175.4984 52 A 4.7674 8.4149 128.1500 51.1471 20.6025 176.1946 53 S 4.8739 8.3654 112.6313 57.6526 65.7254 174.2928 54 E 4.4593 9.2438 123.2761 55.6993 32.6193 174.7301 55 G 3.7803 8.4452 116.9224 47.1057 0.0000 175.2776 56 K 4.0457 8.6341 122.8072 57.7737 32.6224 176.7338 57 T 4.2443 7.7443 117.6805 62.9773 69.7737 173.7377 58 I 4.6791 8.1382 126.9929 59.7809 39.8455 174.2004 59 Y 5.2655 8.8845 123.8183 56.3009 40.8664 174.6227 60 L 5.0089 8.9614 124.5333 53.6261 44.2981 175.2996 61 H 5.5731 8.0294 116.3687 53.5036 32.2085 173.2255 62 G 3.3780 6.3901 104.0494 46.0048 0.0000 171.0691 63 S 4.4891 7.4148 117.8962 58.0078 62.8357 175.9307 *65 K 4.4088 8.5178 116.4129 55.8709 34.0985 176.1335 66 S 4.4839 8.0807 116.8123 58.2086 63.9195 176.3198 67 R 3.9748 8.5423 123.7123 61.4994 29.0317 179.4471 68 I 3.4438 7.2278 114.8740 64.0003 37.7417 177.2437 69 Y 3.7654 7.8464 120.2888 60.6775 38.3990 178.4622 70 G 3.3852 7.8675 104.4200 47.6834 0.0000 175.2088 71 I 3.6545 7.0904 121.8232 64.2095 37.1813 178.5918 72 L 3.5076 7.4433 119.8371 57.3813 40.9279 179.6726 73 K 4.0660 7.6200 118.2039 59.5322 31.9304 179.0573 74 T 3.9859 7.3365 109.4037 62.6904 68.5729 175.5678 75 G 3.9144 7.7514 108.1108 45.4548 0.0000 173.4263 76 Q 4.2149 7.5467 116.8858 55.5304 29.3692 176.1389 77 L 4.4188 8.5799 123.3278 55.5613 42.7146 176.0589 78 I 4.8026 8.9565 119.1492 59.0300 41.4640 174.0913 79 A 4.6928 8.7100 125.1454 50.3340 21.2554 175.3910 80 I 4.8782 8.9602 124.8599 59.7677 39.5009 175.1351 81 S 5.2454 8.9798 121.9651 56.4476 65.9850 173.1019 82 L 5.0290 8.6580 121.5170 53.0394 45.5106 175.3849 83 L 5.0766 8.1880 122.9646 53.8146 45.2987 174.6283 84 E 4.5970 9.6426 126.0107 54.6110 32.5418 174.7751 85 I 4.7406 8.4804 125.4970 59.9766 38.4486 175.1573 86 N 4.9942 9.2194 123.8281 53.1804 41.7139 174.3916 87 G 4.2660 7.6949 103.5883 45.8435 0.0000 172.2373 88 I 4.6451 8.2294 122.1390 59.7144 39.2077 175.2255 89 V 4.2929 8.8596 128.5776 61.7192 32.9591 174.7951 90 L 4.9493 8.8029 129.5742 53.3243 42.8261 176.1714 91 A 4.6593 8.8881 126.3467 50.3003 20.0313 177.3592 92 K 3.9838 9.1761 119.2866 58.9365 32.4647 177.9478 93 E 4.5587 8.0417 119.1582 54.4936 30.9313 176.7431 94 I 3.7107 8.6810 125.2035 64.5152 37.2790 178.0742 95 K 4.1337 8.0285 116.9937 58.8242 32.5497 176.9822 96 N 4.7800 8.0989 116.2871 52.9684 39.0447 174.9954 97 N 4.7164 7.8401 117.2029 53.6583 39.5759 174.8395 98 S 4.5969 8.4763 114.8721 57.9028 66.3459 172.4875 99 I 5.0617 8.3440 118.9147 60.1750 40.6770 174.7743 100 N 5.1286 9.0908 123.9450 52.5633 40.2821 173.9204 101 Y 5.1936 8.2219 120.3159 56.2689 42.3391 173.3791 102 V 4.7328 8.9429 119.2720 61.1568 35.0599 174.2500 103 S 5.2911 9.3209 120.6372 56.8773 66.4788 173.0368 104 A 4.9964 8.9425 121.9207 50.2718 23.1276 174.8485 105 L 4.9784 9.2333 122.4237 53.3746 45.3476 175.1810 106 I 5.0848 8.9971 127.5984 59.5714 40.1673 174.4832 107 F 5.2978 9.3507 126.4452 55.9403 41.2056 175.1837 108 G 4.4825 8.9910 109.0331 45.5053 0.0000 172.1012 109 R 4.9600 8.4332 119.8436 53.5285 31.5570 174.6686 110 P 4.8853 0.0000 0.0000 62.6791 32.3636 175.6176 111 Y 5.1325 8.6283 120.2388 55.1620 41.5780 173.9996 112 E 3.7974 9.0042 122.8841 55.7913 30.6789 175.6942 113 I 4.2074 8.1760 128.5419 61.0826 37.2181 175.5666 114 D 4.6748 8.9253 126.9359 55.1770 42.4642 177.2131 115 D 4.7724 7.8234 119.5790 52.8177 41.8453 177.5428 116 T 4.0164 8.4911 112.9481 64.7993 69.0404 176.5869 117 E 3.9434 8.1614 121.9288 59.0241 29.7510 178.5439 118 K 3.9480 8.1471 119.5711 59.2385 32.2350 178.9059 119 K 3.9392 8.0005 118.5936 59.4815 32.0009 179.1653 120 I 3.8629 8.1381 120.3047 64.5985 37.0315 177.9102 121 E 3.7030 8.1215 119.9450 59.3213 29.2443 179.1374 122 V 3.1316 7.4854 118.1014 65.8701 31.5005 178.0953 123 F 3.8870 8.0961 117.5503 60.2879 38.6656 177.7334 124 R 2.7877 7.5026 118.4619 58.7756 29.7372 178.4718 125 L 3.8102 7.6909 118.9783 57.6668 41.6338 179.2632 126 L 3.9284 7.9272 120.2978 58.4861 41.9423 179.1609 127 T 3.9387 8.0559 115.6586 66.8497 68.2449 176.6308 128 E 3.9712 8.1101 119.1057 58.8268 29.4528 179.0467 129 K 4.1448 7.6836 119.3520 59.3471 32.3506 178.6082 130 L 4.1497 7.8296 118.2834 56.0687 42.1174 177.9734 131 V 4.2235 8.0654 123.8013 60.4799 33.1853 174.4492 132 K 4.1364 8.5796 129.2289 57.8679 32.4047 176.8861 133 G 3.6888 8.8961 114.8601 45.4065 0.0000 175.2191 134 R 3.6173 7.6910 119.3972 58.6795 29.5852 177.7412 135 W 4.2741 8.0309 128.3295 60.8795 30.4141 177.2580 136 D 4.3106 8.2349 115.6166 56.6473 40.6392 176.7075 137 N 4.8912 7.6171 115.4188 52.4066 40.5711 174.0995 138 S 4.5511 6.8592 110.6419 55.5188 65.8130 173.4147 139 I 3.6566 8.0928 126.6839 61.1670 37.0992 176.4176 140 K 3.8358 8.0351 125.0827 54.8298 32.8021 175.2526 141 P 4.3317 0.0000 0.0000 62.4698 31.9572 177.4494 142 S 4.4846 8.7339 118.1045 57.7152 65.3998 174.9530 143 Y 4.0968 8.4380 121.8474 60.6793 38.2542 177.2601 144 E 3.7167 8.1416 118.7766 59.3581 30.1689 177.9972 145 D 4.4142 7.9882 118.7261 57.5411 40.8514 178.9877 146 L 3.9353 7.8095 119.1872 57.6368 41.3353 179.1945 147 N 4.4164 7.8097 115.5786 55.1044 38.4746 176.5009 148 G 3.9295 7.4802 105.0006 43.6862 0.0000 173.5444 149 V 4.6473 6.9333 114.4910 59.0749 34.3351 175.7941 150 F 4.5275 8.5062 120.9933 56.7218 39.6301 174.6071 151 V 5.1123 8.3420 119.6528 61.3965 34.8798 173.8777 152 F 5.1843 9.6917 126.0765 55.5884 42.4981 174.0986 153 A 4.6944 8.3166 124.6277 50.7678 20.7526 176.3766 154 V 4.4874 8.6163 122.5237 61.0297 33.9976 174.3978 155 K 4.7449 8.5692 127.7693 54.3041 33.4659 175.3106 156 P 4.5318 0.0000 0.0000 62.9857 31.8090 175.9125 157 E 4.4173 9.7247 126.2010 58.9839 30.2419 176.4393 158 T 5.0507 7.9273 107.5024 60.6481 72.6286 172.4874 159 F 5.6533 8.2479 115.8148 56.5185 40.9872 173.1508 160 S 4.4904 8.9369 113.4093 57.3283 66.7403 172.3745 *162 K 4.5115 8.5355 118.8520 57.0291 33.3122 174.7529 163 A 4.1532 8.1432 124.8336 50.5578 22.7692 175.6215 164 R 4.6444 7.6917 120.3008 54.6441 33.2332 174.5445 165 T 4.8186 8.3261 114.6950 60.9189 72.5245 174.1573 166 G 3.7648 8.6985 109.6046 43.7652 0.0000 171.1094 167 P 4.4409 0.0000 0.0000 61.2043 32.0400 174.0690 168 P 4.3456 0.0000 0.0000 63.0344 31.8275 175.0920 169 H 5.0356 8.3246 116.0253 54.3093 30.5962 174.0458 170 D 4.8383 8.3794 122.2896 53.3047 44.7688 175.0230 171 T 4.4582 8.2093 109.6082 61.7723 70.7733 174.8762 172 S 4.2453 7.9209 116.8143 58.4717 62.8694 173.6926 173 T 4.2721 8.2861 115.2469 62.0633 69.3902 174.8716 174 D 4.4652 7.8880 122.9224 54.9218 41.5204 176.9382 175 D 4.6852 8.3455 122.5022 53.2544 39.4354 174.2602 176 I 4.6258 7.3426 120.3507 58.2487 40.6850 175.5654 177 W 4.2633 8.9532 135.0000 57.5312 31.2404 174.9249 178 S 4.3978 7.5272 118.2569 56.1076 66.0649 173.6144 179 G 3.4143 6.8735 106.3332 46.5370 0.0000 170.5765 180 V 4.9407 8.1297 119.3566 61.0349 33.7892 175.6930 181 L 4.5621 8.9964 128.9077 52.9807 42.2415 174.4840 182 P 4.7822 0.0000 0.0000 62.5562 32.2750 176.0980 183 I 4.4782 8.5229 124.6146 59.7129 39.0400 175.0083 184 Q 4.6389 8.6793 125.8081 54.3805 31.2601 174.7344 185 H 4.9661 8.6873 119.7607 54.3605 31.4572 172.7869 186 T 5.0771 8.4099 117.5305 60.1376 70.7220 173.0120 187 I 4.2331 8.8174 129.8375 61.0002 38.4255 175.9610 188 S 4.9514 8.4636 122.0789 56.2179 65.5409 173.3917 189 E 2.5400 8.3433 118.0936 55.7440 29.6443 176.7425 190 A 4.4205 6.6284 124.4367 51.6037 19.4509 176.1312 191 G 4.1746 7.9499 107.7805 45.6266 0.0000 176.1181 192 E 4.2489 8.6989 116.6019 57.7494 30.0612 177.9121 193 N 4.6956 8.0373 112.1898 53.8037 39.1006 175.2722 194 A 4.0701 7.3619 121.1990 51.0823 19.2327 176.5288 195 P 4.3308 0.0000 0.0000 62.4260 33.3579 177.2912 196 E 3.8038 8.5414 119.1409 59.5314 29.2990 178.5367 197 Y 4.1388 7.8070 116.5182 59.8044 38.1448 178.3099 198 V 3.6437 6.7464 119.6347 65.7659 31.9297 178.0978 199 K 2.4800 7.5917 118.0807 58.3605 31.5120 179.0291 200 S 4.2239 7.8179 113.4242 60.1752 63.0853 175.3477 201 L 4.5345 7.8866 122.2739 54.4297 41.8440 175.7577 202 Y 4.3777 7.1532 116.9067 59.9134 37.9196 177.0169 203 G 3.9764 9.3638 114.2277 44.9271 0.0000 173.1515 204 K 4.2872 8.1885 123.0126 56.1537 33.3406 175.8112 205 R 4.9530 8.5766 124.3763 55.4437 29.5962 175.3618 206 I 4.3822 8.4736 115.9541 58.7299 41.5478 175.1120 207 F 4.1576 8.6868 116.9524 58.4568 36.1649 175.6922 208 I 4.2618 7.3437 117.4784 61.2148 37.5306 174.6528 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 16 R 8.11 4.36 0.00 1.91 1.61 0.00 3.13 0.00 0.00 3.33 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 17 A 8.62 4.51 1.10 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 0.00 0.00 18 S 8.41 4.52 0.00 3.68 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 19 Y 8.17 4.64 0.00 2.86 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 20 S 8.22 4.41 0.00 3.99 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 21 D 9.07 4.47 0.00 2.80 2.75 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 22 E 8.21 3.97 0.00 2.12 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 2.40 1.97 0.00 23 D 7.75 4.33 0.00 2.91 2.75 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 24 L 7.68 3.95 0.00 1.13 1.42 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.90 3.69 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 0.87 0.00 0.00 0.93 0.00 0.00 26 A 7.77 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.28 0.00 1.85 1.73 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.49 4.43 0.00 2.79 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 30 R 7.54 4.58 0.00 2.05 2.07 0.00 3.13 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 31 N 7.91 5.02 0.00 2.63 2.77 0.00 0.00 6.73 8.61 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 32 F 8.16 5.16 0.00 3.09 3.17 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 33 T 7.22 4.98 4.22 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 1.34 0.00 0.00 34 C 8.29 4.66 0.00 3.08 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 35 T 8.74 4.82 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 1.20 0.00 0.00 36 V 8.92 4.76 2.20 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 1.09 0.00 0.00 0.96 0.00 0.00 37 S 9.32 5.45 0.00 3.70 3.66 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 0.00 0.00 0.00 0.00 38 F 8.63 5.21 0.00 3.10 3.11 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 39 I 8.31 4.96 1.96 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 1.15 0.71 0.98 0.00 0.00 40 D 9.35 4.50 0.00 2.91 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 41 G 9.69 4.10 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 0.00 0.00 0.00 42 G 8.25 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 0.00 0.00 0.00 43 I 7.44 4.61 2.17 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 1.26 0.96 0.57 0.00 0.00 44 P 0.00 4.83 0.00 1.93 1.97 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 45 Y 8.97 4.48 0.00 1.43 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 0.00 0.00 0.00 0.00 46 A 8.25 5.10 1.11 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 0.00 0.00 47 I 8.87 4.86 1.99 0.00 0.00 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 1.58 1.45 1.11 0.00 0.00 48 P 0.00 5.12 0.00 2.12 2.10 0.00 3.46 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 *51 L 8.34 4.15 0.00 1.71 1.66 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.41 4.77 1.30 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 0.00 0.00 0.00 53 S 8.37 4.87 0.00 4.01 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 54 E 9.24 4.46 0.00 2.07 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 2.25 2.28 0.00 55 G 8.45 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 56 K 8.63 4.05 0.00 1.71 1.77 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.40 7.81 57 T 7.74 4.24 4.13 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 0.52 0.00 0.00 58 I 8.14 4.68 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 68 I 7.23 3.44 1.81 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 1.08 0.00 0.00 69 Y 7.85 3.77 0.00 2.99 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 70 G 7.87 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 3.65 1.42 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 1.36 0.96 0.45 0.00 0.00 72 L 7.44 3.51 0.00 0.37 0.13 0.37 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.62 4.07 0.00 1.59 1.73 0.00 0.62 0.00 0.00 1.37 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 0.99 7.81 74 T 7.34 3.99 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 1.20 0.00 0.00 75 G 7.75 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 0.00 0.00 0.00 76 Q 7.55 4.21 0.00 2.14 2.13 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.94 4.73 2.22 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 0.86 0.00 0.00 0.84 0.00 0.00 103 S 9.32 5.29 0.00 3.87 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 0.00 104 A 8.94 5.00 1.21 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 0.00 0.00 105 L 9.23 4.98 0.00 1.68 1.52 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.00 5.08 1.90 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 1.20 0.85 0.93 0.00 0.00 107 F 9.35 5.30 0.00 2.96 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 0.00 108 G 8.99 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.43 4.96 0.00 1.76 2.07 0.00 3.26 0.00 0.00 3.26 7.15 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0.00 3.28 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 135 W 8.03 4.27 0.00 3.39 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 0.00 136 D 8.23 4.31 0.00 2.73 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 0.00 137 N 7.62 4.89 0.00 2.75 2.76 0.00 0.00 6.92 7.32 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 0.00 138 S 6.86 4.55 0.00 3.85 3.47 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 0.00 139 I 8.09 3.66 1.77 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 1.33 0.56 0.81 0.00 0.00 140 K 8.04 3.84 0.00 1.53 1.40 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.05 7.81 141 P 0.00 4.33 0.00 1.86 1.68 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 142 S 8.73 4.48 0.00 4.08 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 0.00 143 Y 8.44 4.10 0.00 3.06 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 0.00 144 E 8.14 3.72 0.00 2.26 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 2.29 1.98 0.00 145 D 7.99 4.41 0.00 2.85 2.54 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 0.00 146 L 7.81 3.94 0.00 1.73 1.66 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.81 4.42 0.00 2.63 2.70 0.00 0.00 6.92 7.70 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 0.00 148 G 7.48 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 0.00 149 V 6.93 4.65 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 0.67 0.00 0.00 1.08 0.00 0.00 150 F 8.51 4.53 0.00 3.07 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.34 5.11 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 1.05 0.00 0.00 0.92 0.00 0.00 152 F 9.69 5.18 0.00 3.08 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 0.00 153 A 8.32 4.69 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.62 4.49 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 0.97 0.00 0.00 0.90 0.00 0.00 155 K 8.57 4.74 0.00 1.75 1.76 0.00 2.08 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 156 P 0.00 4.53 0.00 2.19 2.14 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 157 E 9.72 4.42 0.00 2.02 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 2.34 2.29 0.00 158 T 7.93 5.05 4.27 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 1.19 0.00 0.00 159 F 8.25 5.65 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 160 S 8.94 4.49 0.00 3.95 4.23 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 *162 K 8.54 4.51 0.00 2.03 1.91 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.03 7.81 163 A 8.14 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 7.69 4.64 0.00 1.93 1.88 0.00 3.12 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 165 T 8.33 4.82 4.21 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 1.14 0.00 0.00 166 G 8.70 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 0.00 167 P 0.00 4.44 0.00 2.12 2.01 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 168 P 0.00 4.35 0.00 2.12 2.03 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 169 H 8.32 5.04 0.00 3.14 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.38 4.84 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.21 4.46 4.23 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 1.20 0.00 0.00 172 S 7.92 4.25 0.00 3.85 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 0.00 173 T 8.29 4.27 4.24 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 1.21 0.00 0.00 174 D 7.89 4.47 0.00 2.69 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 0.00 175 D 8.35 4.69 0.00 2.64 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 0.00 176 I 7.34 4.63 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 1.34 0.82 0.99 0.00 0.00 177 W 8.95 4.26 0.00 3.24 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 0.00 178 S 7.53 4.40 0.00 3.76 3.58 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 0.00 179 G 6.87 3.41 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 0.00 180 V 8.13 4.94 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 0.92 0.00 0.00 0.93 0.00 0.00 181 L 9.00 4.56 0.00 1.74 1.66 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.78 0.00 1.95 2.00 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 183 I 8.52 4.48 1.89 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 1.24 0.61 0.86 0.00 0.00 184 Q 8.68 4.64 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 185 H 8.69 4.97 0.00 3.20 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.41 5.08 4.24 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 1.21 0.00 0.00 187 I 8.82 4.23 2.11 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 1.30 0.34 0.98 0.00 0.00 188 S 8.46 4.95 0.00 3.78 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 0.00 189 E 8.34 2.54 0.00 1.60 1.64 0.00 0.00 0.00 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 1.89 0.00 190 A 6.63 4.42 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 7.95 4.17 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 0.00 0.00 0.00 192 E 8.70 4.25 0.00 2.00 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 0.00 2.23 1.90 0.00 193 N 8.04 4.70 0.00 2.70 2.87 0.00 0.00 6.90 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 0.00 194 A 7.36 4.07 1.30 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 0.00 0.00 0.00 195 P 0.00 4.33 0.00 1.70 2.05 0.00 3.46 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.71 0.00 196 E 8.54 3.80 0.00 1.98 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 2.32 2.29 0.00 197 Y 7.81 4.14 0.00 3.25 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 0.00 198 V 6.75 3.64 1.84 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 1.13 0.00 0.00 0.67 0.00 0.00 199 K 7.59 2.48 0.00 1.64 1.34 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.05 1.34 7.81 200 S 7.82 4.22 0.00 4.00 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 0.00 201 L 7.89 4.53 0.00 1.90 1.80 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 7.15 4.38 0.00 2.93 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 0.00 203 G 9.36 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 0.00 204 K 8.19 4.29 0.00 1.94 1.75 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.40 7.81 205 R 8.58 4.95 0.00 1.97 1.91 0.00 3.03 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 206 I 8.47 4.38 1.48 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.29 0.88 0.00 0.00 207 F 8.69 4.16 0.00 3.22 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 0.00 208 I 7.34 4.26 1.91 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 1.36 0.68 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.