NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3673 8.2649 123.5814 52.2201 20.1891 176.6024 2 T 4.4761 7.9699 116.9958 60.4684 72.9221 173.6282 3 L 4.1189 9.4838 126.5550 58.3643 41.8533 179.8156 4 K 4.0804 7.9922 116.7938 59.1126 32.3575 178.8693 5 D 4.5057 7.8859 118.9901 57.5529 40.9872 178.6541 6 I 3.8382 8.3953 120.5755 64.6271 37.1164 178.3923 7 T 4.0661 8.4457 116.2212 65.5000 68.2702 176.8226 8 R 3.8783 7.9406 121.6085 59.7307 30.1594 177.8273 9 R 3.8396 8.1622 116.8641 59.3438 30.0547 178.4725 10 L 4.0784 8.1508 117.9997 58.1206 41.7306 179.8204 11 K 3.8517 7.9998 118.1955 59.8079 32.0211 179.5239 12 S 4.2497 8.4699 114.5258 61.4749 63.2035 176.3860 13 I 3.7877 8.7199 124.1344 63.4416 36.4650 178.5014 14 K 4.0309 8.1554 120.0576 59.1745 31.7289 179.1305 15 N 4.3423 7.7213 115.4131 56.5617 38.6278 177.3657 16 I 3.6576 7.8844 121.2585 64.7357 37.1370 178.2491 17 Q 4.0015 8.0823 120.0815 58.9399 28.8788 178.2330 18 K 4.0748 7.7603 119.3688 59.1708 32.0234 179.2059 19 I 3.6865 8.1277 120.6660 64.4916 36.5341 178.1290 20 T 3.8597 7.9816 116.3268 66.9430 67.9259 176.3643 21 K 3.9392 8.0317 121.0573 59.5885 32.3249 178.7349 22 S 4.1192 8.1466 113.4090 61.6822 62.3190 176.0731 23 M 4.1337 8.4043 121.5433 57.7783 31.5041 178.7811 24 K 3.9252 7.7272 119.2741 59.7813 32.6106 178.6596 25 M 3.9620 7.6775 118.1481 58.3847 31.7822 179.1142 26 V 3.5273 7.7683 117.6676 66.0928 31.7377 177.8527 27 A 4.0313 8.1575 120.2805 55.2311 17.8225 179.5791 28 A 4.0738 8.5382 118.8025 55.6726 18.8283 178.8944 29 A 3.9115 7.9675 118.4446 55.8507 18.2194 179.6221 30 K 3.8480 8.4094 114.9808 59.8513 32.2079 178.9760 31 Y 4.1400 7.7382 118.0410 60.0770 39.0452 177.3928 32 A 3.7287 8.3532 122.7710 54.7578 18.5522 179.3564 33 R 3.7792 7.9083 115.2180 59.5148 30.1701 178.7400 34 A 3.9242 8.1305 120.2950 55.2981 18.1882 179.3573 35 E 3.7756 7.5114 115.8332 59.0285 29.8158 179.0385 36 R 4.0375 7.7147 118.0596 59.2128 30.2593 178.3807 37 E 4.0284 8.0239 117.5237 59.2184 29.5714 179.1807 38 L 4.0375 8.3706 120.9142 58.6471 42.3262 178.8831 39 K 4.1210 7.9244 117.4970 59.4833 32.0594 176.8977 40 P 4.4369 0.0000 0.0000 65.6598 31.3526 178.6984 41 A 4.3762 7.7447 118.3103 54.9473 18.2734 179.3786 42 R 4.5631 7.6387 114.8828 58.1304 31.6721 177.7539 43 V 4.0598 7.4816 119.7325 59.9787 29.7150 173.0031 44 Y 4.1200 7.0886 125.9190 58.5487 44.5010 174.9751 *77 L 4.1540 8.0051 124.1724 56.2819 40.0365 177.0923 78 C 4.6956 7.8139 125.0088 60.1347 30.0746 174.8576 79 G 3.9880 8.2746 106.8089 46.0245 0.0000 175.1988 80 A 4.6751 8.0826 118.4778 51.9508 19.6451 178.8270 81 I 3.9166 6.5648 121.9915 64.5103 36.9744 176.9813 82 H 4.2132 8.3396 120.3595 59.3245 29.1103 177.7106 83 S 4.1166 7.9363 115.4170 61.5645 62.9292 176.1710 84 S 4.1058 7.7568 119.0759 61.4482 62.3823 177.5046 85 V 3.6186 7.5059 112.6982 64.1671 31.7535 177.9121 86 A 4.1678 7.9102 120.5904 55.4746 18.0903 179.6434 87 K 3.9045 8.5843 116.7901 59.7019 32.0517 179.0135 88 Q 4.1582 7.5619 116.2456 57.7478 28.9857 176.8889 89 M 4.2601 7.6629 117.3377 56.8844 33.6411 175.4293 90 K 4.6027 7.8579 118.9402 55.2086 33.9204 174.8546 *209 L 4.2832 7.7224 125.9512 55.0198 42.9192 178.3315 210 A 3.9825 8.6280 118.6222 54.8698 19.7827 180.4685 211 N 4.1950 8.0164 112.5930 56.4121 39.9134 176.9744 212 I 4.2208 7.6845 117.6241 63.1095 38.5063 178.0759 213 I 3.7576 8.9136 122.8915 64.6856 36.9647 177.8003 214 Y 4.1519 8.6587 120.2600 60.9503 38.5047 176.4436 215 Y 4.2293 7.7318 118.9965 59.8182 38.8956 177.2489 216 S 4.0228 8.8550 115.5751 61.8549 62.4481 176.6344 217 L 3.9198 7.8921 122.5626 57.2955 41.3442 179.1719 218 K 3.6211 7.8989 118.7607 58.7499 32.2673 178.5010 219 E 4.1532 7.7090 118.6288 58.4496 29.8674 177.9939 220 S 4.2274 7.8336 111.6190 60.1350 62.3541 175.0567 221 T 4.2005 7.4088 110.2576 63.9174 69.7699 176.9114 222 T 3.9826 7.8173 118.8159 66.7072 68.4576 176.8650 223 S 4.1125 8.0009 116.6188 61.9090 62.8170 175.7745 224 E 3.9768 7.7995 122.1141 58.9422 29.4759 178.5117 225 Q 4.1709 8.4802 118.3772 58.4176 28.9580 179.6051 226 S 3.5690 7.8264 116.5078 61.1323 63.0717 176.0138 227 A 3.8685 7.9407 123.4894 55.2629 18.1376 179.5731 228 R 3.7685 8.2859 117.4111 60.3651 30.1646 177.4801 229 M 3.8077 7.5701 116.3946 59.6060 31.9626 177.9425 230 T 3.7905 8.1637 114.4637 66.7008 68.9669 176.1828 231 A 3.9639 7.9051 122.2830 55.7987 18.0034 179.6842 232 M 4.1498 8.5120 116.5021 57.6622 31.4065 178.5884 233 D 4.3012 7.9425 119.1072 57.4132 41.4025 177.7829 234 N 4.4668 8.3914 116.4204 55.5746 38.4771 177.4017 235 A 3.9958 7.9260 123.0755 55.0311 18.4759 179.5680 236 S 4.1682 7.8485 111.5297 60.7624 63.3663 176.8017 237 K 4.0058 7.6052 121.9089 59.3405 31.5923 178.9721 238 N 4.3713 8.5178 117.1640 56.1537 38.4481 177.4084 239 A 4.0227 8.2854 122.5649 55.1041 18.4212 179.9837 240 S 4.0614 8.2714 113.9175 61.8407 62.9950 176.6784 241 E 4.0182 8.0574 120.6837 59.3327 28.9809 179.1704 242 M 4.0558 7.7458 118.5179 58.5628 32.3064 178.3437 243 I 3.2222 8.1141 120.1743 64.1997 37.2015 178.0226 244 D 4.4080 8.2071 119.8897 56.6255 40.6737 178.7431 245 K 4.0662 8.0395 120.2948 59.5636 32.2875 179.0231 246 L 4.0677 8.8606 120.5031 58.0247 41.4304 179.5087 247 T 4.0690 7.7637 115.9668 66.6772 68.3376 176.6200 248 L 4.0492 7.6806 119.5699 58.0740 41.6277 179.6641 249 T 3.9315 7.7514 115.9470 66.2593 68.2928 176.5582 250 F 3.9215 8.7268 123.0253 61.5844 39.5025 177.1234 251 N 4.4217 8.6734 116.0032 55.9992 38.1910 177.8389 252 R 3.8903 8.1134 119.9054 59.4621 30.0736 179.1814 253 T 3.7521 7.7207 115.5176 66.4037 68.5533 176.5299 254 R 3.7520 8.0643 120.9736 59.5877 29.9844 178.4197 255 Q 3.8920 7.9151 117.1034 58.9456 28.7717 178.3717 256 A 3.9549 8.1691 122.0622 55.4158 18.3125 179.7560 257 V 3.4938 8.5049 117.5142 66.3411 31.4402 178.3245 258 I 3.7339 7.5987 118.9638 64.5528 36.7843 178.6945 259 T 3.8450 7.9853 116.6557 66.4118 68.1118 176.4704 260 K 3.7821 7.8597 120.3559 59.8596 32.3968 177.8935 261 E 3.9849 8.0313 118.8961 59.0426 29.5347 178.0969 262 L 3.9232 7.7873 120.0441 58.7496 42.0354 179.4490 263 I 3.7200 8.0890 119.4129 64.1845 36.8871 178.3837 264 E 3.9650 8.5909 120.1637 59.3620 29.2187 179.1199 265 I 3.6739 7.6850 119.3142 64.4260 37.3134 177.9896 266 I 3.6804 8.0602 120.7176 64.8637 36.8173 178.5327 267 S 4.2317 8.1865 114.7165 61.7351 62.8033 176.8672 268 G 3.6982 8.2889 108.1499 47.4924 0.0000 175.7022 269 A 4.0071 8.4242 123.2897 55.0002 18.2653 179.4197 270 A 4.1189 8.0086 117.0764 53.9957 18.5059 178.4805 271 A 4.4123 7.2206 117.8326 52.0179 19.1662 177.2227 272 L 4.1434 7.6134 123.3482 55.2034 41.7925 176.8061 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.37 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 2 T 7.97 4.48 4.57 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 1.27 0.00 0.00 3 L 9.48 4.12 0.00 1.71 1.85 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.99 4.08 0.00 1.75 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 5 D 7.89 4.51 0.00 3.01 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 6 I 8.40 3.84 2.12 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 1.58 0.78 1.07 0.00 0.00 7 T 8.45 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 8 R 7.94 3.88 0.00 2.03 2.03 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 R 8.16 3.84 0.00 1.90 1.93 0.00 3.24 0.00 0.00 3.35 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 10 L 8.15 4.08 0.00 1.83 1.69 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.00 3.85 0.00 2.10 1.86 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 S 8.47 4.25 0.00 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 0.00 13 I 8.72 3.79 1.86 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 1.52 0.97 0.90 0.00 0.00 14 K 8.16 4.03 0.00 2.00 1.83 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.66 7.81 15 N 7.72 4.34 0.00 2.88 2.85 0.00 0.00 6.97 7.10 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 16 I 7.88 3.66 1.86 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 1.40 1.09 0.90 0.00 0.00 17 Q 8.08 4.00 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 18 K 7.76 4.07 0.00 1.96 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.63 7.81 19 I 8.13 3.69 2.01 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 1.52 0.88 0.90 0.00 0.00 20 T 7.98 3.86 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 1.23 0.00 0.00 21 K 8.03 3.94 0.00 1.87 1.97 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 8.15 4.12 0.00 3.94 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 23 M 8.40 4.13 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 24 K 7.73 3.93 0.00 1.84 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 M 7.68 3.96 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 26 V 7.77 3.53 2.23 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 1.02 0.00 0.00 1.02 0.00 0.00 27 A 8.16 4.03 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 28 A 8.54 4.07 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 29 A 7.97 3.91 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 30 K 8.41 3.85 0.00 1.97 1.92 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 31 Y 7.74 4.14 0.00 3.01 3.29 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 32 A 8.35 3.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.91 3.78 0.00 1.96 2.00 0.00 3.13 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 34 A 8.13 3.92 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 35 E 7.51 3.78 0.00 1.54 1.72 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 2.24 2.29 0.00 36 R 7.71 4.04 0.00 2.05 1.92 0.00 3.14 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 37 E 8.02 4.03 0.00 1.91 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 2.36 2.31 0.00 38 L 8.37 4.04 0.00 1.80 1.74 0.93 0.66 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 39 K 7.92 4.12 0.00 1.94 1.83 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.81 1.68 7.81 40 P 0.00 4.44 0.00 2.27 2.19 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 41 A 7.74 4.38 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 42 R 7.64 4.56 0.00 2.02 2.20 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 43 V 7.48 4.06 2.29 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 0.76 0.00 0.00 0.99 0.00 0.00 44 Y 7.09 4.12 0.00 3.25 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 *77 L 8.01 4.15 0.00 1.73 1.73 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.81 4.70 0.00 2.85 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 79 G 8.27 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 0.00 0.00 0.00 80 A 8.08 4.68 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 6.56 3.92 1.77 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 1.56 1.24 0.99 0.00 0.00 82 H 8.34 4.21 0.00 3.16 3.35 0.00 5.63 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 83 S 7.94 4.12 0.00 4.04 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 84 S 7.76 4.11 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 85 V 7.51 3.62 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 0.78 0.00 0.00 1.01 0.00 0.00 86 A 7.91 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.58 3.90 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 Q 7.56 4.16 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 89 M 7.66 4.26 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 90 K 7.86 4.60 0.00 1.69 1.67 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *209 L 7.72 4.28 0.00 1.81 1.03 0.94 1.08 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 0.00 210 A 8.63 3.98 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 0.00 211 N 8.02 4.20 0.00 2.82 2.89 0.00 0.00 6.93 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 0.00 212 I 7.68 4.22 2.01 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 1.43 1.00 1.01 0.00 0.00 213 I 8.91 3.76 1.98 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 1.50 0.86 0.96 0.00 0.00 214 Y 8.66 4.15 0.00 2.90 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 0.00 215 Y 7.73 4.23 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.86 4.02 0.00 4.11 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 0.00 217 L 7.89 3.92 0.00 1.85 1.57 0.94 0.86 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 0.00 218 K 7.90 3.62 0.00 1.19 1.51 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.56 0.21 7.81 219 E 7.71 4.15 0.00 1.67 1.74 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 1.73 1.47 0.00 220 S 7.83 4.23 0.00 3.95 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 0.00 221 T 7.41 4.20 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 1.23 0.00 0.00 222 T 7.82 3.98 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 1.38 0.00 0.00 223 S 8.00 4.11 0.00 3.83 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 0.00 224 E 7.80 3.98 0.00 2.14 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 2.32 2.38 0.00 225 Q 8.48 4.17 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 226 S 7.83 3.57 0.00 3.87 3.59 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 0.00 227 A 7.94 3.87 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 0.00 228 R 8.29 3.77 0.00 1.82 1.91 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 229 M 7.57 3.81 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 230 T 8.16 3.79 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 1.17 0.00 0.00 231 A 7.91 3.96 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 0.00 232 M 8.51 4.15 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 233 D 7.94 4.30 0.00 2.78 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 0.00 234 N 8.39 4.47 0.00 2.76 2.83 0.00 0.00 6.94 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 A 7.93 4.00 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 0.00 236 S 7.85 4.17 0.00 4.07 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 0.00 237 K 7.61 4.01 0.00 2.02 1.89 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.56 7.81 238 N 8.52 4.37 0.00 2.95 2.85 0.00 0.00 6.84 6.71 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 0.00 239 A 8.29 4.02 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 0.00 240 S 8.27 4.06 0.00 4.13 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 0.00 241 E 8.06 4.02 0.00 2.02 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 2.33 2.52 0.00 242 M 7.75 4.06 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 243 I 8.11 3.22 1.86 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 1.51 0.92 0.89 0.00 0.00 244 D 8.21 4.41 0.00 2.70 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 0.00 245 K 8.04 4.07 0.00 2.14 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 246 L 8.86 4.07 0.00 1.78 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 247 T 7.76 4.07 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 248 L 7.68 4.05 0.00 1.91 1.73 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 249 T 7.75 3.93 4.42 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 1.22 0.00 0.00 250 F 8.73 3.92 0.00 3.07 3.28 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 0.00 251 N 8.67 4.42 0.00 2.85 2.91 0.00 0.00 7.13 8.17 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 0.00 252 R 8.11 3.89 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 253 T 7.72 3.75 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 254 R 8.06 3.75 0.00 1.23 1.89 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 255 Q 7.92 3.89 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 256 A 8.17 3.95 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 0.00 257 V 8.50 3.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 258 I 7.60 3.73 1.94 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 1.54 0.90 0.00 0.00 259 T 7.99 3.84 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 1.20 0.00 0.00 260 K 7.86 3.78 0.00 1.85 2.05 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 261 E 8.03 3.98 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 2.30 2.31 0.00 262 L 7.79 3.92 0.00 1.93 1.80 0.92 1.39 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 0.00 263 I 8.09 3.72 1.98 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 1.51 0.85 0.90 0.00 0.00 264 E 8.59 3.97 0.00 2.18 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 2.56 0.00 265 I 7.69 3.67 1.97 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 1.63 0.91 0.91 0.00 0.00 266 I 8.06 3.68 2.00 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 1.52 0.89 0.91 0.00 0.00 267 S 8.19 4.23 0.00 4.00 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 0.00 268 G 8.29 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 0.00 0.00 0.00 269 A 8.42 4.01 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 0.00 270 A 8.01 4.12 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 0.00 271 A 7.22 4.41 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 0.00 272 L 7.61 4.14 0.00 1.66 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.