NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 A 4.2975 8.2601 123.5822 52.5537 19.7784 176.6831 56 A 4.5031 8.3326 119.8822 51.7713 20.8671 175.7069 57 N 4.9662 8.5936 116.4131 53.0172 41.2664 171.9816 58 N 5.0050 8.3013 119.8173 52.1693 40.6673 174.9916 59 P 3.9694 0.0000 0.0000 65.0136 32.4828 178.1114 60 A 3.6714 8.0579 119.2032 55.4257 18.1946 178.3738 61 I 4.0777 12.0000 113.1595 62.3487 38.7396 176.0831 62 Q 3.9476 9.1458 121.3294 56.6590 27.9412 180.5804 63 N 3.6661 8.9141 121.3810 55.9260 40.6665 176.1000 64 I 3.8771 7.7245 121.1421 64.7745 36.9683 178.3077 65 R 3.9726 8.7368 119.5455 59.1194 29.7184 177.8664 66 L 4.5951 7.3915 115.4981 54.5513 42.6191 177.1983 67 R 4.4954 9.0954 120.7078 56.5713 32.0969 177.1422 68 H 4.3433 8.0922 114.1924 58.8320 28.9500 177.1836 69 E 4.9188 7.8808 122.0363 58.1339 29.2863 178.5504 70 N 4.3125 7.8769 116.5571 56.4548 38.8782 176.4596 71 K 3.8951 8.7579 122.0813 59.9785 31.9168 177.6363 72 D 4.2801 9.5604 118.5124 58.4853 40.6918 179.2506 73 L 4.0443 8.1857 118.3365 57.4531 41.5447 179.2661 74 K 3.8442 8.2327 119.1034 58.6953 31.8141 178.0039 75 A 4.1432 7.6098 120.5156 55.0193 19.1762 179.5653 76 R 3.7995 7.6261 116.1333 59.8558 30.0166 177.9514 77 L 3.9020 8.7664 119.1579 56.2737 41.7945 181.0559 78 E 3.3670 7.2850 119.5535 57.5246 32.3460 177.4059 79 N 4.5644 8.1109 113.8547 55.0065 38.3206 179.1972 80 A 4.2296 7.4756 124.5193 51.0355 17.5609 178.3879 *82 E 3.9546 8.1886 121.3254 57.0306 31.5703 177.2640 83 V 3.6775 8.2650 118.3894 66.1381 31.6685 177.3083 84 A 3.8991 7.7989 120.1799 55.3753 18.2399 179.8788 85 G 3.6025 8.0735 103.7727 47.9045 0.0000 175.9896 86 R 4.0530 7.8697 118.2804 58.8895 29.7587 178.0166 87 D 4.3799 8.9477 119.9883 57.2330 41.0903 178.4531 88 F 3.9748 8.3433 120.7326 61.2668 39.1738 177.1759 89 K 4.0314 8.8380 119.2219 58.8190 31.8254 178.6568 90 R 3.8863 7.6844 118.3603 59.3487 30.1008 177.6906 91 A 3.8850 7.6229 120.4529 55.4565 18.1588 179.5773 92 E 3.6728 7.7905 116.5681 59.5323 29.4224 179.0569 93 E 3.8868 7.6327 117.3941 59.6717 29.4562 179.8089 94 L 3.9357 8.2663 118.5107 58.2374 41.8861 179.2573 95 E 3.7637 8.1487 119.5919 59.1322 29.7549 178.9589 96 K 3.8210 8.3320 118.5463 59.5254 32.0942 178.8371 97 A 3.9205 7.6731 120.6691 55.2289 17.9522 179.1268 98 K 3.9761 8.0892 117.9614 60.0197 32.0921 178.4862 99 Q 4.0145 7.9455 118.5378 59.0289 29.0228 177.7055 100 A 4.0198 8.4545 122.1887 55.6731 18.3318 178.9091 101 L 3.8289 8.8703 119.6427 57.9649 42.0180 178.5237 102 E 3.8507 9.4817 119.6837 59.6071 29.5661 179.2271 103 D 4.3573 8.7553 119.1352 57.5404 40.7282 178.2584 104 Q 3.9454 8.2307 118.9886 59.7062 29.1583 178.5469 105 R 4.0083 8.6590 119.8860 58.8187 30.2324 177.9502 106 K 3.7955 9.0183 120.2206 60.1647 32.0233 177.3432 107 D 4.2877 7.9231 117.2986 57.9274 40.2633 178.3360 108 L 3.9480 8.2808 118.5425 58.3829 41.9986 178.8870 109 E 3.7793 8.3027 117.5054 60.3972 28.9088 178.9659 110 T 3.8703 8.3654 115.0347 66.4730 68.5508 176.6043 111 K 3.9251 8.7876 122.5444 59.3581 32.1630 178.5960 112 L 3.9397 9.2319 120.7498 58.1779 42.1347 178.6277 113 K 3.8364 7.8808 119.1722 59.6586 31.9117 178.1389 114 E 3.9485 7.9072 118.5965 59.2338 29.5507 178.6073 115 L 4.0183 7.6997 120.5142 57.6487 41.8823 178.3501 116 Q 3.9356 8.3932 120.2744 59.3499 28.9623 178.0912 117 Q 4.0281 8.0974 120.2036 59.5717 28.9361 178.1103 118 D 4.3968 8.3808 119.8983 57.9765 40.9398 178.4998 119 Y 4.0224 8.8162 119.7263 60.9104 38.7126 177.4468 120 D 4.6589 10.4070 118.7807 57.5614 41.3354 179.1711 121 L 4.0257 8.6147 120.7179 57.9222 42.1835 178.3405 122 A 3.8505 8.7649 121.2230 57.0597 18.2772 180.2984 123 K 4.0618 7.9238 115.1457 58.3242 33.1553 177.2494 124 E 3.8728 8.5233 119.0846 59.3967 29.7033 178.9671 125 S 4.1058 8.0412 111.6029 61.8785 62.3641 175.8093 126 T 3.9779 8.6813 115.6960 65.6151 67.1434 175.9803 127 S 4.1430 8.0818 117.0471 61.6791 63.0728 176.7518 128 W 4.4812 8.2533 129.7750 59.8078 30.3836 177.5354 129 D 4.1607 10.5023 118.0816 57.7136 40.8253 178.2443 130 R 3.8775 7.8127 118.0200 59.2203 30.0397 179.0076 131 Q 3.7696 7.8778 117.7140 58.8627 28.8091 178.3102 132 R 3.3359 6.9007 119.2819 59.6782 29.8103 177.5923 133 L 3.7610 7.5735 119.2891 57.9309 41.9221 178.1556 134 E 4.0461 8.6812 119.1012 59.4313 29.6296 179.0922 135 K 3.7628 8.1635 119.4453 59.7772 32.1576 178.3186 136 E 3.9583 8.6142 119.3260 58.6587 29.5231 178.3179 137 L 3.9537 8.7414 121.9918 57.7636 42.0313 178.4420 138 E 3.9276 8.7625 119.9050 59.2465 29.6029 178.6345 139 E 3.8480 8.3239 118.7565 59.0878 29.4173 179.3401 140 K 3.9055 7.8133 119.8573 59.4707 32.0230 179.0953 141 K 3.9322 8.1260 118.8083 59.8912 31.8317 178.0403 142 E 3.8372 8.9135 118.8717 60.1747 29.2902 177.9275 143 A 4.3368 8.3522 118.8758 52.9858 17.4886 178.6945 144 L 4.0232 8.0701 119.6906 56.8829 42.1302 178.2464 145 E 4.0530 7.7805 119.1327 58.8508 29.4275 177.8237 146 L 3.9344 7.6804 119.7461 57.9943 41.8768 178.8595 147 A 4.0689 7.8449 120.7531 55.0189 18.3337 179.5224 148 I 3.6526 7.1617 117.0791 64.5773 36.9122 178.1556 149 D 4.3507 8.2670 119.8092 57.4326 40.6645 178.2956 150 Q 4.0204 7.8298 118.4823 59.3268 28.9383 178.3462 151 A 4.0077 8.2608 121.9754 55.6643 18.2848 179.9019 152 S 4.0586 7.8036 113.1322 61.6611 63.2993 176.8369 153 R 4.0619 9.0202 122.1933 58.8680 29.7066 177.3292 154 D 4.8147 8.4850 117.7883 55.3442 41.9129 177.1085 155 Y 4.1731 8.0464 118.3026 58.9776 38.9458 176.0216 156 H 4.7308 8.4834 116.5893 58.7614 30.0076 176.7667 157 R 3.8241 7.4725 119.0926 59.7157 29.8766 178.1300 158 A 3.9648 7.9298 120.0734 55.4048 18.5272 179.5479 159 T 3.7608 7.7999 113.5464 66.7343 68.3711 176.4611 160 A 3.9747 8.1684 122.6145 55.2277 18.5952 179.6638 161 L 4.0038 7.7194 116.3440 57.1970 41.6058 179.5418 162 E 3.9657 8.5541 119.7448 58.9274 29.3176 178.9406 163 K 3.8555 8.1227 119.7099 59.5950 32.1685 178.1226 164 E 4.8504 8.2142 121.0163 59.5061 29.2712 178.4604 165 L 4.0624 8.1977 118.7194 57.0191 41.6241 179.1510 166 E 3.8121 8.2390 118.4436 60.1144 29.9939 178.7031 167 E 3.9258 8.6147 118.3975 60.0888 29.2474 178.3992 168 K 4.2906 7.7897 116.7176 57.1265 32.2172 179.2579 169 K 4.1193 8.2551 121.3835 59.5978 32.1356 179.4841 170 K 4.1248 8.0795 118.5079 59.2865 31.9386 179.0540 171 A 3.9700 8.3655 121.5507 55.5536 18.2618 179.7040 172 L 4.0066 7.7462 116.4614 57.4528 41.5081 179.1869 173 E 3.9606 8.3130 120.2100 59.1097 29.4307 178.1637 174 L 3.9075 7.5642 118.9278 59.1120 40.1167 178.9279 175 A 3.9649 8.1557 121.4308 55.0231 18.5062 179.6396 176 I 3.7117 7.4435 117.4819 65.4210 37.1968 177.0770 177 D 4.6061 8.5817 120.7479 54.9293 40.2879 179.3264 178 Q 3.6828 8.3605 123.7822 59.6972 30.1492 179.2702 179 A 4.0321 9.2681 123.4959 54.2712 18.2428 180.1226 180 S 4.3145 8.5533 111.1324 61.7358 63.2354 177.2425 181 Q 3.7602 8.6192 122.4934 59.5465 28.9957 179.2399 182 D 4.5155 9.4256 121.0377 57.0574 40.8916 177.9177 183 Y 3.9622 8.1623 119.8348 61.7806 38.6443 177.1942 184 N 4.1748 8.6641 115.9436 56.4490 38.3002 177.6415 185 R 3.7817 8.6757 122.0752 59.3982 30.8959 178.2378 186 A 4.0823 8.6350 120.6814 55.3871 18.5002 179.0378 187 N 4.0438 7.8975 114.8541 56.8103 38.4710 177.6886 188 V 3.6837 8.0233 118.7922 65.0991 31.1858 176.8145 189 L 4.3451 8.0852 117.3558 55.0402 41.9661 177.6995 190 E 4.0341 7.9231 118.9330 58.3793 29.5509 177.5544 191 K 3.9568 7.2555 117.9982 59.7322 32.3953 176.4615 192 E 4.1424 7.4902 121.1706 56.6367 29.3095 176.8227 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 55 A 8.26 4.30 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 56 A 8.33 4.50 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 57 N 8.59 4.97 0.00 2.65 2.72 0.00 0.00 6.82 8.00 0.00 0.00 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 N 8.30 5.00 0.00 2.69 2.68 0.00 0.00 7.06 8.03 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 59 P 0.00 3.97 0.00 2.13 2.06 0.00 3.87 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 2.10 2.02 0.00 60 A 8.06 3.67 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 61 I 12.00 4.08 1.90 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 1.30 0.69 0.91 0.00 0.00 62 Q 9.15 3.95 0.00 2.14 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.04 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 63 N 8.91 3.67 0.00 2.83 3.15 0.00 0.00 6.79 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 64 I 7.72 3.88 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.94 0.00 0.00 65 R 8.74 3.97 0.00 1.84 1.93 0.00 3.08 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 66 L 7.39 4.60 0.00 1.65 1.65 0.92 0.78 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 67 R 9.10 4.50 0.00 1.69 1.81 0.00 3.06 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 68 H 8.09 4.34 0.00 3.56 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.88 4.92 0.00 2.26 1.97 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 2.32 2.21 0.00 70 N 7.88 4.31 0.00 2.96 2.92 0.00 0.00 6.85 6.42 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 71 K 8.76 3.90 0.00 1.84 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 72 D 9.56 4.28 0.00 2.88 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 73 L 8.19 4.04 0.00 1.86 1.71 0.92 0.84 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 74 K 8.23 3.84 0.00 2.09 1.82 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 75 A 7.61 4.14 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 76 R 7.63 3.80 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 77 L 8.77 3.90 0.00 1.60 1.52 0.91 1.32 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 78 E 7.29 3.37 0.00 2.07 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 0.00 2.30 2.40 0.00 79 N 8.11 4.56 0.00 2.86 3.04 0.00 0.00 7.03 8.33 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 80 A 7.48 4.23 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 *82 E 8.19 3.95 0.00 2.04 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 0.00 2.28 2.31 0.00 83 V 8.27 3.68 2.25 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 0.97 0.00 0.00 0.98 0.00 0.00 84 A 7.80 3.90 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 85 G 8.07 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 0.00 0.00 0.00 86 R 7.87 4.05 0.00 2.11 2.41 0.00 2.82 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 87 D 8.95 4.38 0.00 2.80 2.98 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 88 F 8.34 3.97 0.00 3.40 3.14 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 89 K 8.84 4.03 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 90 R 7.68 3.89 0.00 2.11 1.96 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 91 A 7.62 3.88 1.17 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 92 E 7.79 3.67 0.00 1.82 1.87 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 1.47 2.16 0.00 93 E 7.63 3.89 0.00 2.28 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 2.32 2.36 0.00 94 L 8.27 3.94 0.00 1.79 1.66 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.15 3.76 0.00 2.07 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 2.26 2.42 0.00 96 K 8.33 3.82 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.72 7.81 97 A 7.67 3.92 1.31 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 98 K 8.09 3.98 0.00 1.81 1.96 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 99 Q 7.95 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 100 A 8.45 4.02 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 0.00 101 L 8.87 3.83 0.00 1.86 1.75 0.91 0.83 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 0.00 102 E 9.48 3.85 0.00 2.01 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 0.00 2.31 2.54 0.00 103 D 8.76 4.36 0.00 2.97 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 0.00 104 Q 8.23 3.95 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 105 R 8.66 4.01 0.00 1.91 2.03 0.00 3.34 0.00 0.00 3.09 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 106 K 9.02 3.80 0.00 1.91 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 107 D 7.92 4.29 0.00 2.77 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 0.00 108 L 8.28 3.95 0.00 1.82 1.72 0.92 0.71 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 0.00 109 E 8.30 3.78 0.00 2.06 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 0.00 2.39 2.51 0.00 110 T 8.37 3.87 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 1.21 0.00 0.00 111 K 8.79 3.93 0.00 1.86 1.90 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 112 L 9.23 3.94 0.00 1.80 1.83 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.88 3.84 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 114 E 7.91 3.95 0.00 2.29 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 2.32 2.33 0.00 115 L 7.70 4.02 0.00 1.77 1.78 1.00 0.65 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 0.00 116 Q 8.39 3.94 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 117 Q 8.10 4.03 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 118 D 8.38 4.40 0.00 2.98 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 0.00 119 Y 8.82 4.02 0.00 3.09 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 0.00 120 D 10.41 4.66 0.00 2.91 2.81 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 0.00 121 L 8.61 4.03 0.00 1.86 1.83 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.76 3.85 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 0.00 123 K 7.92 4.06 0.00 1.41 1.68 0.00 1.47 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 124 E 8.52 3.87 0.00 2.13 1.90 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 2.28 2.36 0.00 125 S 8.04 4.11 0.00 3.88 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 0.00 126 T 8.68 3.98 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 1.23 0.00 0.00 127 S 8.08 4.14 0.00 4.18 3.99 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 0.00 128 W 8.25 4.48 0.00 3.35 3.33 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 0.00 129 D 10.50 4.16 0.00 2.78 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 0.00 130 R 7.81 3.88 0.00 1.82 1.92 0.00 3.32 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 131 Q 7.88 3.77 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 132 R 6.90 3.34 0.00 0.96 1.51 0.00 2.80 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 133 L 7.57 3.76 0.00 1.90 1.77 0.87 0.69 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 0.00 134 E 8.68 4.05 0.00 2.05 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 2.28 2.32 0.00 135 K 8.16 3.76 0.00 1.77 1.88 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 136 E 8.61 3.96 0.00 2.04 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 0.00 2.26 2.31 0.00 137 L 8.74 3.95 0.00 1.80 1.76 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.76 3.93 0.00 2.09 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 0.00 2.29 2.33 0.00 139 E 8.32 3.85 0.00 2.00 1.97 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 2.59 2.44 0.00 140 K 7.81 3.91 0.00 1.76 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 K 8.13 3.93 0.00 2.06 1.83 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 142 E 8.91 3.84 0.00 2.11 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 0.00 2.31 2.50 0.00 143 A 8.35 4.34 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 0.00 144 L 8.07 4.02 0.00 2.01 1.76 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.78 4.05 0.00 2.18 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 2.26 2.29 0.00 146 L 7.68 3.93 0.00 1.75 1.66 0.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.84 4.07 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 0.00 148 I 7.16 3.65 2.00 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 1.50 1.11 0.88 0.00 0.00 149 D 8.27 4.35 0.00 2.89 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 0.00 150 Q 7.83 4.02 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 151 A 8.26 4.01 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 0.00 152 S 7.80 4.06 0.00 3.89 3.82 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 0.00 153 R 9.02 4.06 0.00 1.78 2.04 0.00 3.37 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 154 D 8.49 4.81 0.00 2.86 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 0.00 155 Y 8.05 4.17 0.00 3.07 2.93 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 0.00 156 H 8.48 4.73 0.00 3.21 3.30 0.00 5.71 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 0.00 157 R 7.47 3.82 0.00 2.20 2.10 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 158 A 7.93 3.96 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 0.00 159 T 7.80 3.76 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 1.15 0.00 0.00 160 A 8.17 3.97 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 0.00 161 L 7.72 4.00 0.00 1.81 1.71 0.91 0.93 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 0.00 162 E 8.55 3.97 0.00 2.04 1.94 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 2.28 2.37 0.00 163 K 8.12 3.86 0.00 1.82 1.96 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.44 7.81 164 E 8.21 4.85 0.00 2.16 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 0.00 2.31 2.28 0.00 165 L 8.20 4.06 0.00 2.03 1.61 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.24 3.81 0.00 2.22 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 2.30 2.44 0.00 167 E 8.61 3.93 0.00 2.18 1.90 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 2.33 2.52 0.00 168 K 7.79 4.29 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.47 7.81 169 K 8.26 4.12 0.00 1.97 1.83 0.00 1.65 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 170 K 8.08 4.12 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 171 A 8.37 3.97 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 0.00 172 L 7.75 4.01 0.00 1.92 1.72 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.31 3.96 0.00 2.07 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 2.30 2.31 0.00 174 L 7.56 3.91 0.00 2.09 1.90 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.16 3.96 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 0.00 176 I 7.44 3.71 2.09 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 1.50 1.12 0.90 0.00 0.00 177 D 8.58 4.61 0.00 2.69 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 0.00 178 Q 8.36 3.68 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 179 A 9.27 4.03 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 0.00 180 S 8.55 4.31 0.00 4.15 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 0.00 181 Q 8.62 3.76 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 182 D 9.43 4.52 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.16 3.96 0.00 3.09 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 0.00 184 N 8.66 4.17 0.00 3.03 2.79 0.00 0.00 7.11 7.77 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 0.00 185 R 8.68 3.78 0.00 1.88 1.98 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 186 A 8.63 4.08 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 0.00 187 N 7.90 4.04 0.00 2.89 2.86 0.00 0.00 6.71 7.30 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 0.00 188 V 8.02 3.68 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 1.02 0.00 0.00 0.92 0.00 0.00 189 L 8.09 4.35 0.00 1.85 1.64 0.97 0.73 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 0.00 190 E 7.92 4.03 0.00 1.94 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 2.30 2.32 0.00 191 K 7.26 3.96 0.00 2.00 1.87 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.48 7.81 192 E 7.49 4.14 0.00 2.05 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 2.33 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.