NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4591 8.3344 116.8236 58.7548 64.2130 174.4033 4 L 4.0397 8.3871 132.5508 52.4878 41.1777 174.5789 5 T 4.5739 7.5331 112.9545 59.6347 73.8642 174.1082 6 A 3.8551 8.4522 125.0343 55.6770 18.2173 180.0313 7 R 3.7930 7.9361 116.3021 59.8072 30.3183 178.8094 8 S 4.1865 7.6566 113.4314 61.3654 63.0042 176.6680 9 V 3.5314 7.9306 116.2979 64.0009 31.1929 178.8725 10 V 3.5875 7.8426 112.3606 63.8981 31.1687 178.3706 11 L 3.9805 8.1492 119.2347 58.2166 41.3413 179.7901 12 S 4.2536 7.8823 113.2454 61.7240 62.8765 176.7898 13 V 3.7371 7.7973 120.0161 65.3285 31.6001 177.2110 14 L 4.4780 7.9844 117.1242 53.4492 41.6248 175.6446 15 L 3.9475 6.9543 121.0819 56.6997 41.8796 177.2318 16 G 3.9031 9.0132 113.4075 45.7084 0.0000 173.8227 17 A 4.0010 8.6794 124.1003 55.2569 18.5718 177.6828 18 H 3.8565 8.0946 113.0918 56.4314 29.9311 172.7170 19 P 3.7845 0.0000 0.0000 62.4891 31.8903 175.9732 20 A 4.1638 7.3671 121.9358 52.4222 18.8752 176.6870 21 W 4.9984 8.5710 118.4840 54.7861 32.4961 175.2125 22 A 5.1085 9.5170 124.8254 50.2136 21.3153 176.0126 23 T 4.3433 9.6654 113.8773 61.6944 70.0918 175.6581 24 A 4.0402 9.1853 126.2421 55.7724 18.4851 179.8128 25 S 4.0427 8.3184 110.7854 61.9219 62.2183 176.3441 26 E 4.0002 8.1574 120.8667 59.4290 29.2587 179.3133 27 L 3.9902 8.1441 119.0710 57.7586 41.4212 179.4441 28 I 3.7105 8.2575 119.3105 64.6394 37.1328 178.1949 29 Q 4.1588 7.8518 117.4887 59.0239 28.7142 178.4802 30 L 4.2494 8.0975 118.2888 56.8768 42.2498 178.2815 31 T 4.2993 8.0237 111.8330 62.7465 67.5671 175.6850 32 A 4.3705 7.8513 121.6451 54.8022 19.0641 178.6088 33 D 4.4091 8.1685 115.5507 56.4213 41.0747 176.9895 34 F 4.3989 8.2007 116.3042 57.4868 39.7115 176.2250 35 G 4.0191 8.6086 109.4988 45.6489 0.0000 174.1550 36 I 4.3030 7.2582 114.9516 58.5693 37.9719 175.6807 37 K 4.1521 8.5464 128.0811 54.6670 32.0826 175.4127 38 E 3.5364 8.8325 117.0040 62.1113 29.4458 181.8091 39 T 3.2610 6.7523 107.5873 63.4947 70.7099 178.1533 40 T 3.9919 8.0827 116.8202 65.8773 68.8730 178.3848 41 L 4.0506 7.3898 122.5526 58.4319 42.2480 179.1789 42 R 3.7730 8.1776 118.2907 59.3625 29.9767 179.3052 43 V 3.6082 7.7136 117.3513 65.6687 31.2171 178.0266 44 A 3.9070 7.7121 119.8374 55.0709 18.3975 178.9391 45 L 3.8956 8.1881 116.6866 58.4455 42.0407 179.7067 46 T 4.1479 7.8205 115.1606 66.6458 68.3784 177.2015 47 R 3.7016 7.8791 116.8013 57.4372 30.0549 177.9550 *49 V 4.9135 7.2620 118.3883 62.6643 33.2293 177.7865 50 G 3.6575 8.0459 107.4801 48.0180 0.0000 174.0264 51 A 4.2938 8.0396 120.5380 51.8777 18.9459 177.6873 52 G 3.9419 7.8558 102.9064 46.1175 0.0000 174.3332 53 D 4.7284 8.1110 121.0836 54.9193 42.8659 176.3684 54 L 5.3170 7.8995 116.2417 52.8861 45.9230 175.9490 55 V 4.9710 8.5363 113.8069 59.6629 34.6543 175.1926 56 R 5.0736 8.7250 120.0233 54.8284 32.5196 174.7772 57 S 4.2683 8.3744 113.8593 56.6071 66.1029 174.4245 58 A 3.7930 8.2076 122.1817 55.3175 17.8461 178.2619 59 D 4.4610 7.2240 113.2069 54.2866 42.8519 174.9687 60 G 4.0551 6.2625 107.7480 44.3684 0.0000 176.4187 61 Y 5.7524 8.3847 121.6528 56.3909 42.5689 173.4793 62 R 4.8736 8.6301 117.7872 54.5907 33.3655 174.2317 63 L 4.3488 8.4054 119.8203 54.7807 42.4081 177.3377 64 S 4.1735 8.7939 117.3025 58.6911 63.2285 174.9841 65 D 4.3526 8.9334 125.4850 57.5490 40.5292 179.3353 66 R 4.0131 7.9168 115.8322 58.8421 29.6339 178.7009 67 L 4.0333 7.8398 119.6677 57.2683 41.6507 178.8076 68 L 3.8589 8.3003 120.6296 58.2087 42.0243 179.0031 69 A 3.9650 8.1149 120.6838 54.9840 18.3484 179.6205 70 R 3.8386 7.8545 117.2348 59.5799 30.0136 178.5639 71 Q 3.9788 8.3623 119.8548 59.1921 29.0639 178.1728 72 R 3.9075 8.2454 119.9367 59.3900 29.8626 178.6719 73 R 4.0350 7.6961 116.9126 58.7018 30.3928 178.0723 74 Q 4.1078 7.9278 119.1806 59.6341 28.7658 178.5515 75 D 4.4533 7.6640 118.3659 56.8604 41.0043 177.5091 76 E 4.4303 8.1206 117.1331 56.7821 29.3675 176.7347 77 A 4.5190 7.2589 118.4964 52.2539 21.0040 177.8394 *79 R 3.9993 7.6718 120.8481 57.1341 30.1778 171.1272 80 P 4.6189 0.0000 0.0000 60.1758 32.5903 176.5338 81 R 3.6206 8.2906 122.5188 56.1128 30.1699 174.9462 82 T 4.7561 8.2559 119.6346 60.7548 69.4911 173.5074 83 R 4.7900 8.0459 123.4772 53.6653 33.1549 175.5569 84 A 3.9384 8.6412 123.3577 52.6048 18.7085 176.6984 85 W 4.7628 8.6960 131.2936 56.2136 32.5660 175.2067 86 H 4.4510 7.9904 119.8403 55.4611 29.2592 174.6323 87 G 2.7298 5.3800 106.8389 44.3251 0.0000 173.6248 88 N 5.1757 6.8494 116.9987 51.8716 40.8866 173.9292 89 W 5.2624 9.4298 121.9923 55.3571 32.6136 175.8182 90 H 5.1411 8.9933 121.5392 55.3690 30.3647 174.3365 *92 L 4.2643 8.2493 117.6078 55.2790 43.2331 176.2619 93 I 4.9663 8.4029 125.7908 59.5303 39.0373 175.4426 94 V 4.2989 8.8032 128.8806 61.5254 31.9447 176.2050 95 T 4.6503 8.2287 112.6985 61.3664 69.6644 174.2333 96 S 4.6062 7.7275 117.1576 57.1252 66.8582 173.3148 97 I 4.1197 8.3684 125.7658 59.9009 36.2972 176.1752 98 G 3.8040 8.6614 114.6208 46.0046 0.0000 174.3343 99 T 4.1198 8.5205 119.8550 65.9757 68.8511 174.0598 100 D 4.7792 7.5920 119.1544 50.5607 43.9685 175.9870 101 A 3.9803 8.5166 120.8396 55.3179 18.1875 179.7074 102 R 3.8184 7.9429 116.5699 59.8284 30.2430 178.4928 103 T 3.8437 7.6756 114.2457 66.9733 68.3829 176.7914 104 R 3.9405 8.4116 119.9088 59.1890 30.0968 179.0297 105 A 4.0201 8.4876 120.8392 55.0800 18.2638 179.5828 106 A 3.9566 8.4172 119.7938 54.8556 18.1919 179.4990 107 L 3.7358 7.7072 118.2458 58.3297 42.2026 179.2101 108 R 3.7779 7.4045 116.3980 59.7187 30.4462 178.7142 109 T 4.0865 7.8813 115.3391 66.7839 68.4890 175.5379 110 C 4.1247 8.0589 119.5126 60.1453 31.7975 174.9615 *112 H 4.9700 8.1376 117.4159 55.7331 30.3273 175.2145 113 H 4.1355 8.1913 117.4973 59.0500 29.6527 175.8754 114 K 4.3763 8.0547 115.4703 55.8579 32.1406 176.5336 115 R 4.1156 7.8983 116.7696 57.3882 27.6888 176.3846 116 F 4.8178 8.7023 115.0662 56.5927 40.9160 175.9542 117 G 3.6311 8.4935 112.2711 43.5238 0.0000 172.5692 118 E 3.3820 7.8955 122.7435 54.0104 29.1202 176.8556 119 L 3.8691 8.3113 130.3163 56.2332 42.5513 176.9153 120 R 4.0828 6.7125 115.9196 55.8305 31.8446 173.2559 121 E 3.9609 8.4711 114.3435 58.3283 29.4289 176.8816 122 G 3.9802 9.0599 112.7465 44.2022 0.0000 172.0191 123 V 4.4726 7.5906 119.8107 60.8306 32.5869 174.2617 124 W 5.9115 9.0056 126.7560 53.9484 32.3139 175.4058 *126 R 4.6372 8.2231 116.8586 55.4906 30.5877 173.1956 127 P 4.1480 0.0000 0.0000 62.0185 32.5052 176.2333 128 D 4.4576 8.6272 121.5634 53.5011 39.6587 177.6709 129 N 4.4730 7.7549 120.5107 55.7110 37.6300 174.9779 130 L 4.5223 7.4549 118.3926 53.8517 42.7655 177.4916 131 D 4.6595 8.3457 123.1809 52.7607 38.7211 173.9395 132 L 3.9405 8.2221 121.5744 55.4858 42.5748 175.7016 133 D 4.9099 8.5271 125.0765 51.9999 43.2749 175.1526 134 L 4.1223 8.4751 127.2658 54.4259 42.5966 178.2589 135 E 4.3301 8.4995 125.0143 56.2237 29.1359 177.3519 136 S 3.7910 7.4418 120.9707 60.3330 60.7558 172.4993 137 D 4.2470 8.7961 131.1645 56.6901 40.5481 181.0779 138 V 3.1458 6.7612 119.5641 63.6081 33.3966 179.2564 139 A 4.5029 7.7379 121.1625 51.8625 18.9398 179.1632 140 A 3.9728 10.6000 125.2993 56.6353 19.3486 180.1575 141 R 4.3765 7.2504 111.0955 54.8136 28.5941 175.8184 142 V 4.7311 6.9898 109.8452 60.6859 36.8329 175.6166 143 R 4.6377 8.6514 123.0778 55.1401 32.9962 174.8030 *145 L 4.4726 8.3284 116.5511 55.4560 43.1420 176.1948 146 T 5.0900 8.4808 115.9893 62.1959 70.8549 173.8181 147 A 5.0241 9.2961 126.0750 50.4611 23.4230 174.9092 148 R 5.1449 8.5238 114.3538 54.6031 32.5163 174.2644 149 D 4.9533 8.8266 119.8257 52.6066 43.5803 175.9726 150 E 4.2483 8.6624 122.4621 57.7313 30.4122 176.9613 151 A 4.7869 8.2729 122.1674 49.0894 18.7215 174.6104 152 P 4.5021 0.0000 0.0000 65.0359 32.0946 178.6676 153 A 4.0647 8.1174 120.3347 54.5506 18.1353 179.0195 154 D 4.1975 7.9183 115.7898 57.4567 41.7873 177.3029 155 L 3.8621 8.0898 120.9028 58.4400 41.9167 178.5252 156 A 4.5693 8.6295 120.5996 55.7464 18.1718 179.8224 157 G 3.7707 8.0554 101.6298 46.9992 0.0000 174.7786 158 Q 4.2779 8.3519 121.2062 58.1104 29.6458 177.2014 159 L 3.7297 7.6137 118.7911 55.6708 41.9685 177.1212 160 W 4.9885 7.3905 116.1730 54.4361 31.9800 176.3304 161 D 4.7750 8.6026 120.3348 53.8280 38.9784 176.7966 162 L 4.4215 8.3091 125.3275 57.3800 42.1689 178.6754 163 S 4.4075 8.3136 114.0312 61.4941 63.0494 176.6492 164 G 3.8682 8.6745 110.6222 46.4972 0.0000 175.4775 165 W 4.1982 8.2463 130.6152 60.1990 30.7475 178.3091 166 T 3.6703 8.1188 115.8857 66.6686 67.9787 175.9130 167 E 3.9075 8.6585 121.2025 59.5219 29.5295 178.8742 168 A 3.9525 7.9507 120.6504 54.5666 18.3186 180.0331 169 G 2.9136 7.3013 103.9361 48.1633 0.0000 175.5197 170 H 4.0914 7.7316 119.4862 58.6175 28.7138 177.7332 171 R 3.8471 7.8597 120.1585 59.4454 29.6267 178.5979 172 L 3.8900 7.3375 117.6083 57.4217 41.5902 179.1538 173 L 4.1676 7.7138 118.3449 57.8671 41.9579 179.2010 174 G 3.9574 8.0674 105.4751 48.0956 0.0000 175.4191 175 D 4.3680 7.9403 116.5570 55.0729 40.1872 177.9447 *177 A 4.1880 7.8856 123.8713 52.2217 20.2135 178.7021 178 A 4.1510 7.9762 115.8925 53.4772 18.9640 177.8827 179 A 4.1891 7.5519 118.6117 52.3912 18.9332 177.1889 180 T 4.6394 8.4006 114.0243 62.3809 71.1643 173.6764 181 D 4.7244 7.4718 118.5629 52.8732 40.8734 174.7491 *183 P 4.4216 0.0000 0.0000 62.3997 33.4692 178.4357 184 G 3.6574 8.5252 104.7008 48.0405 0.0000 175.8311 185 R 3.9109 8.3813 121.3607 58.6812 30.0817 178.8327 186 F 3.5820 8.3619 119.8653 61.3360 39.5834 177.0678 187 V 3.6773 8.0464 117.6834 66.0912 31.0643 178.1438 188 V 3.4413 7.5487 116.6665 65.7124 31.4251 177.3995 189 A 3.9235 7.5741 119.5469 55.2323 18.3926 179.0605 190 A 3.9112 7.5174 118.7733 55.0496 18.1934 179.9863 191 A 3.7076 7.4743 116.1704 52.8079 18.2672 179.4874 *193 V 3.6698 7.7196 121.7543 64.4105 33.1627 177.9800 194 R 3.9479 7.6897 117.2680 59.3306 29.9819 178.3354 195 H 4.3179 8.3534 118.3491 59.2067 29.8090 177.3298 196 L 4.2595 7.8761 120.2646 57.7995 41.2052 179.1784 197 L 3.8854 7.6771 118.0957 57.3833 41.5844 178.5755 198 T 4.5187 7.5035 106.6024 60.3653 69.4263 174.3885 199 D 3.7951 8.2569 123.3349 53.9337 40.9170 173.5458 200 P 3.5909 0.0000 0.0000 64.3014 31.9261 175.7725 *202 L 3.4733 7.4058 120.6600 52.2710 43.2456 175.3314 203 P 4.0405 0.0000 0.0000 63.0827 32.1899 178.2985 204 A 3.5766 7.4827 122.5742 55.1476 19.5891 179.6461 205 E 4.0711 8.0411 114.3657 58.4644 29.7060 178.0290 206 L 4.4473 7.5870 116.8025 54.2999 43.1428 176.7086 207 L 3.5940 7.2415 119.7220 53.5325 42.0464 175.4359 208 P 4.4461 0.0000 0.0000 62.2152 31.9892 177.3636 209 A 4.2099 8.5563 123.6479 54.5115 18.5958 177.9931 210 D 4.8481 8.0762 114.4828 52.8473 39.6865 176.1070 211 W 4.2419 8.1854 131.0450 57.6297 30.8332 174.3993 212 P 4.6424 0.0000 0.0000 62.9167 30.8620 177.8105 213 G 3.8672 7.6886 106.5272 48.5405 0.0000 175.7256 214 A 4.1677 8.2082 123.5675 54.4940 18.5800 179.6382 215 G 3.6181 8.1253 103.7349 48.0657 0.0000 175.7670 216 L 3.9981 8.1795 121.7266 57.3986 41.6569 179.6738 217 R 3.9944 8.3131 117.9972 59.3630 30.0536 178.8463 218 A 4.1009 8.3734 120.4136 55.3118 18.3458 179.6094 219 A 4.0307 8.0495 119.0229 55.2699 18.3549 179.3225 220 Y 3.9955 8.1272 118.1232 61.3103 38.9779 177.9455 221 H 4.0975 8.7895 117.3474 58.5672 28.6576 177.6331 222 D 4.3516 8.5862 121.6508 57.1627 40.4157 178.4839 223 F 4.0798 7.9864 119.9124 61.2575 39.5209 176.5537 224 A 3.7473 7.6541 119.3837 55.3794 18.2509 179.5432 225 T 3.9257 7.8725 113.7571 66.5300 68.6631 178.0749 226 A 4.1483 7.8256 120.4479 52.5811 17.9646 179.0038 *228 A 4.1837 8.0256 125.8901 53.6035 20.9026 180.1041 229 K 4.0037 8.2330 116.7519 59.6780 32.2284 179.2227 230 R 3.9378 7.9061 118.1064 59.0449 29.6697 178.3927 231 R 4.2083 7.7331 116.0531 57.8708 30.1720 177.6693 232 D 4.4307 7.8349 117.7868 56.6545 41.0849 177.9605 233 A 3.9937 7.8191 120.6532 55.7645 18.4600 179.6055 234 T 3.9823 7.5019 111.9239 67.0342 68.6110 176.3270 235 Q 4.1000 7.7454 122.4909 59.9557 29.1459 176.7850 236 L 4.2131 8.2096 124.2965 54.4733 40.9728 178.9158 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 3 S 8.33 4.46 0.00 3.97 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 4 L 8.39 4.04 0.00 1.67 1.58 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.53 4.57 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 1.22 0.00 0.00 6 A 8.45 3.86 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 7 R 7.94 3.79 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 8 S 7.66 4.19 0.00 4.08 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 9 V 7.93 3.53 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 0.41 0.00 0.00 0.39 0.00 0.00 10 V 7.84 3.59 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 0.82 0.00 0.00 0.87 0.00 0.00 11 L 8.15 3.98 0.00 1.91 1.77 0.95 1.07 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 12 S 7.88 4.25 0.00 4.20 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 0.00 13 V 7.80 3.74 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 0.83 0.00 0.00 0.83 0.00 0.00 14 L 7.98 4.48 0.00 1.75 1.68 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 L 6.95 3.95 0.00 1.80 1.63 1.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.01 3.90 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 0.00 0.00 0.00 17 A 8.68 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.09 3.86 0.00 3.05 3.21 0.00 5.72 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 19 P 0.00 3.78 0.00 2.05 1.98 0.00 3.78 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 1.88 1.91 0.00 20 A 7.37 4.16 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 21 W 8.57 5.00 0.00 3.14 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 22 A 9.52 5.11 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 9.67 4.34 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 1.25 0.00 0.00 24 A 9.19 4.04 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 25 S 8.32 4.04 0.00 3.92 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 26 E 8.16 4.00 0.00 2.30 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 2.36 2.39 0.00 27 L 8.14 3.99 0.00 1.82 1.67 0.87 0.76 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 28 I 8.26 3.71 2.05 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 1.52 0.54 0.92 0.00 0.00 29 Q 7.85 4.16 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 30 L 8.10 4.25 0.00 1.64 1.79 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.02 4.30 4.41 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 1.33 0.00 0.00 32 A 7.85 4.37 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 33 D 8.17 4.41 0.00 2.39 2.60 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 34 F 8.20 4.40 0.00 3.15 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 35 G 8.61 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.00 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 80 P 0.00 4.62 0.00 2.15 2.14 0.00 3.16 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 81 R 8.29 3.62 0.00 2.04 1.91 0.00 3.33 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.00 82 T 8.26 4.76 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 1.16 0.00 0.00 83 R 8.05 4.79 0.00 1.71 1.80 0.00 3.27 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 84 A 8.64 3.94 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 85 W 8.70 4.76 0.00 3.00 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 86 H 7.99 4.45 0.00 2.92 3.00 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 5.38 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.19 4.24 0.00 3.58 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 0.00 212 P 0.00 4.64 0.00 1.97 1.71 0.00 2.82 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 1.62 1.78 0.00 213 G 7.69 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 0.00 0.00 0.00 214 A 8.21 4.17 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 0.00 215 G 8.13 3.62 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 0.00 0.00 0.00 216 L 8.18 4.00 0.00 1.85 1.68 0.60 1.00 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 0.00 217 R 8.31 3.99 0.00 1.94 2.15 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 218 A 8.37 4.10 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 0.00 219 A 8.05 4.03 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 0.00 220 Y 8.13 4.00 0.00 2.99 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 0.00 221 H 8.79 4.10 0.00 3.28 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.59 4.35 0.00 2.86 2.74 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 0.00 0.00 0.00 223 F 7.99 4.08 0.00 2.98 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 0.00 224 A 7.65 3.75 0.96 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 0.00 0.00 225 T 7.87 3.93 4.32 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 1.18 0.00 0.00 226 A 7.83 4.15 1.26 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 0.00 0.00 *228 A 8.03 4.18 1.33 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 0.00 0.00 0.00 229 K 8.23 4.00 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 230 R 7.91 3.94 0.00 1.93 1.99 0.00 3.15 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 231 R 7.73 4.21 0.00 1.92 2.06 0.00 3.09 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 232 D 7.83 4.43 0.00 2.72 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 0.00 233 A 7.82 3.99 1.36 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 0.00 0.00 0.00 234 T 7.50 3.98 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 0.00 235 Q 7.75 4.10 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 236 L 8.21 4.21 0.00 1.71 1.42 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.