NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3673 8.2649 123.5813 52.2201 20.1890 176.6022 2 T 4.4765 7.9696 116.9936 60.4685 72.9255 173.6294 3 L 4.1184 9.4828 126.5476 58.3635 41.8533 179.8175 4 K 4.0803 7.9922 116.7961 59.1142 32.3574 178.8696 5 D 4.5056 7.8858 118.9884 57.5531 40.9869 178.6536 6 I 3.8378 8.3957 120.5760 64.6304 37.1170 178.3972 7 T 4.0645 8.4465 116.2277 65.5084 68.2674 176.8207 8 R 3.8786 7.9417 121.6059 59.7309 30.1600 177.8286 9 R 3.8397 8.1633 116.8643 59.3443 30.0560 178.4761 10 L 4.0780 8.1500 118.0016 58.1193 41.7361 179.8172 11 K 3.8512 8.0003 118.1978 59.8112 32.0214 179.5230 12 S 4.2505 8.4698 114.5229 61.4736 63.2010 176.3837 13 I 3.7880 8.7174 124.1283 63.4400 36.4563 178.4997 14 K 4.0311 8.1532 120.0568 59.1727 31.7295 179.1303 15 N 4.3413 7.7210 115.4128 56.5616 38.6278 177.3632 16 I 3.6581 7.8846 121.2593 64.7388 37.1371 178.2487 17 Q 4.0013 8.0834 120.0850 58.9416 28.8789 178.2356 18 K 4.0740 7.7592 119.3517 59.1707 32.0237 179.2084 19 I 3.6860 8.1272 120.6625 64.4993 36.5347 178.1315 20 T 3.8594 7.9801 116.3256 66.9421 67.9230 176.3693 21 K 3.9407 8.0316 121.0612 59.5847 32.3251 178.7363 22 S 4.1194 8.1464 113.4121 61.6828 62.3189 176.0742 23 M 4.1337 8.4025 121.5394 57.7790 31.5056 178.7809 24 K 3.9253 7.7269 119.2683 59.7805 32.6121 178.6600 25 M 3.9671 7.6774 118.1413 58.3839 31.7837 179.1144 26 V 3.5279 7.7680 117.6658 66.0928 31.7375 177.8532 27 A 4.0314 8.1579 120.2809 55.2311 17.8223 179.5787 28 A 4.0740 8.5354 118.7972 55.6726 18.8285 178.8939 29 A 3.9113 7.9672 118.4386 55.8474 18.2194 179.6208 30 K 3.8481 8.4083 114.9765 59.8524 32.2083 178.9769 31 Y 4.1397 7.7377 118.0433 60.0817 39.0450 177.3936 32 A 3.7285 8.3552 122.7698 54.7542 18.5516 179.3574 33 R 3.7792 7.9072 115.2162 59.5120 30.1704 178.7359 34 A 3.9239 8.1293 120.2942 55.3017 18.1887 179.3585 35 E 3.7760 7.5094 115.8147 59.0263 29.8140 179.0394 36 R 4.0378 7.7144 118.0570 59.2150 30.2605 178.3823 37 E 4.0287 8.0224 117.5104 59.2136 29.5696 179.1806 38 L 4.0377 8.3740 120.9185 58.6594 42.3269 178.8917 39 K 4.1263 7.9220 117.4861 59.4752 32.0592 176.8941 40 P 4.4376 0.0000 0.0000 65.6584 31.3534 178.6986 41 A 4.3765 7.7449 118.3128 54.9448 18.2740 179.3763 42 R 4.5640 7.6395 114.8708 58.1220 31.6732 177.7508 43 V 4.0600 7.4806 119.7459 59.9768 29.7135 173.0000 44 Y 4.1195 7.0856 125.9084 58.5489 44.5137 174.9756 *77 L 4.1541 8.0030 124.1747 56.2809 40.0361 177.0914 78 C 4.6961 7.8141 125.0122 60.1342 30.0760 174.8560 79 G 3.9886 8.2749 106.8069 46.0259 0.0000 175.2006 80 A 4.6751 8.0827 118.4870 51.9493 19.6471 178.8284 81 I 3.9153 6.5648 122.0136 64.5136 36.9739 176.9813 82 H 4.2130 8.3396 120.3487 59.3259 29.1103 177.7101 83 S 4.1164 7.9362 115.4140 61.5663 62.9300 176.1708 84 S 4.1057 7.7571 119.0776 61.4459 62.3825 177.5063 85 V 3.6185 7.5062 112.6966 64.1680 31.7544 177.9115 86 A 4.1679 7.9108 120.5901 55.4723 18.0895 179.6475 87 K 3.9051 8.5839 116.7903 59.7007 32.0521 179.0150 88 Q 4.1603 7.5598 116.2245 57.7428 28.9842 176.8834 89 M 4.2603 7.6635 117.3391 56.8812 33.6413 175.4285 90 K 4.6026 7.8562 118.9354 55.2107 33.9217 174.8558 *209 L 4.2825 7.7267 125.9297 55.0229 42.9131 178.3327 210 A 3.9793 8.6266 118.6074 54.8620 19.7922 180.4780 211 N 4.1943 8.0111 112.5847 56.4071 39.9225 176.9767 212 I 4.2212 7.6850 117.6314 63.1106 38.5071 178.0730 213 I 3.7572 8.9144 122.8884 64.6887 36.9653 177.8015 214 Y 4.1518 8.6575 120.2593 60.9562 38.5056 176.4368 215 Y 4.2295 7.7341 118.9968 59.8121 38.8934 177.2517 216 S 4.0224 8.8561 115.5813 61.8519 62.4499 176.6412 217 L 3.9188 7.8915 122.5604 57.3009 41.3451 179.1736 218 K 3.6218 7.8970 118.7388 58.7488 32.2653 178.4997 219 E 4.1538 7.7092 118.6274 58.4468 29.8746 177.9904 220 S 4.2287 7.8351 111.6114 60.1298 62.3520 175.0562 221 T 4.2079 7.4084 110.2649 63.9250 69.7677 176.9132 222 T 3.9828 7.8179 118.8126 66.7065 68.4579 176.8667 223 S 4.1128 8.0007 116.6191 61.9027 62.8153 175.7780 224 E 3.9760 7.7980 122.1236 58.9489 29.4698 178.5156 225 Q 4.1686 8.4784 118.3673 58.4151 28.9560 179.6016 226 S 3.5663 7.8264 116.5101 61.1338 63.0698 176.0126 227 A 3.8685 7.9397 123.4873 55.2642 18.1364 179.5725 228 R 3.7685 8.2839 117.4097 60.3679 30.1635 177.4781 229 M 3.8074 7.5704 116.4008 59.5947 31.9621 177.9372 230 T 3.7899 8.1617 114.4593 66.7090 68.9696 176.1715 231 A 3.9642 7.9029 122.2742 55.8034 18.0021 179.6830 232 M 4.1505 8.5095 116.4944 57.6572 31.4077 178.5885 233 D 4.3011 7.9407 119.1112 57.4136 41.4032 177.7820 234 N 4.4664 8.3904 116.4186 55.5744 38.4767 177.4025 235 A 3.9959 7.9241 123.0772 55.0301 18.4760 179.5674 236 S 4.1668 7.8486 111.5305 60.7615 63.3661 176.8015 237 K 4.0057 7.6056 121.9142 59.3404 31.5920 178.9725 238 N 4.3707 8.5180 117.1651 56.1551 38.4473 177.4076 239 A 4.0222 8.2829 122.5606 55.1038 18.4210 179.9846 240 S 4.0604 8.2709 113.9154 61.8429 62.9957 176.6792 241 E 4.0184 8.0563 120.6817 59.3335 28.9815 179.1728 242 M 4.0555 7.7454 118.5250 58.5653 32.3052 178.3432 243 I 3.2254 8.1102 120.1741 64.2066 37.2061 178.0272 244 D 4.4068 8.2078 119.8899 56.6338 40.6713 178.7437 245 K 4.0667 8.0399 120.2939 59.5627 32.2872 179.0231 246 L 4.0675 8.8584 120.5012 58.0256 41.4306 179.5105 247 T 4.0698 7.7631 115.9657 66.6743 68.3363 176.6216 248 L 4.0490 7.6799 119.5738 58.0756 41.6288 179.6642 249 T 3.9305 7.7510 115.9461 66.2595 68.2918 176.5535 250 F 3.9204 8.7255 123.0268 61.5861 39.5002 177.1238 251 N 4.4186 8.6729 116.0007 56.0021 38.1903 177.8387 252 R 3.8907 8.1154 119.9047 59.4608 30.0731 179.1815 253 T 3.7517 7.7193 115.5161 66.4043 68.5540 176.5292 254 R 3.7537 8.0655 120.9742 59.5869 29.9850 178.4183 255 Q 3.8924 7.9157 117.1049 58.9450 28.7730 178.3728 256 A 3.9547 8.1670 122.0600 55.4160 18.3105 179.7537 257 V 3.4942 8.5052 117.5148 66.3422 31.4396 178.3209 258 I 3.7325 7.5974 118.9614 64.5579 36.7849 178.6935 259 T 3.8447 7.9851 116.6497 66.4137 68.1116 176.4702 260 K 3.7820 7.8582 120.3531 59.8598 32.3950 177.8941 261 E 3.9851 8.0315 118.9006 59.0430 29.5350 178.0976 262 L 3.9236 7.7873 120.0440 58.7485 42.0349 179.4473 263 I 3.7186 8.0912 119.4192 64.1849 36.8877 178.3844 264 E 3.9640 8.5883 120.1630 59.3690 29.2184 179.1157 265 I 3.6741 7.6867 119.3138 64.4235 37.3122 177.9888 266 I 3.6802 8.0615 120.7098 64.8655 36.8191 178.5340 267 S 4.2319 8.1842 114.7112 61.7353 62.8000 176.8681 268 G 3.6982 8.2884 108.1475 47.4915 0.0000 175.7042 269 A 4.0071 8.4231 123.2891 54.9992 18.2641 179.4173 270 A 4.1190 8.0067 117.0845 53.9954 18.5066 178.4809 271 A 4.4120 7.2208 117.8237 52.0190 19.1666 177.2228 272 L 4.1436 7.6143 123.3413 55.2010 41.7929 176.8049 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 1.25 0.00 0.00 3 L 9.48 4.12 0.00 1.71 1.85 0.79 0.55 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 1.08 0.00 0.00 7 T 8.45 4.06 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 1.11 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 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 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 3.03 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 0.96 0.90 0.00 0.00 14 K 8.15 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 3.97 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 0.97 0.00 0.00 27 A 8.16 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 28 A 8.54 4.07 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 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 8.36 3.73 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 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 1.35 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 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 1.79 1.74 0.94 0.65 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 4.13 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 1.38 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 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 8.00 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 0.98 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 4.09 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 0.76 0.00 0.00 1.01 0.00 0.00 86 A 7.91 4.17 1.40 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 0.00 0.00 0.00 87 K 8.58 3.91 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 7.73 4.28 0.00 1.81 1.04 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 8.01 4.19 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 1.00 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 0.95 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 7.84 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 4.21 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 1.21 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 3.58 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 0.00 227 A 7.94 3.87 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 0.00 228 R 8.28 3.77 0.00 1.83 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 1.58 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 7.90 3.96 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 0.00 232 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 7.92 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 0.00 236 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 6.70 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 0.00 239 A 8.28 4.02 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 0.00 240 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 3.23 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 0.91 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 8.15 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 0.00 252 R 8.12 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 8.07 3.75 0.00 1.23 1.89 0.00 3.27 0.00 0.00 3.28 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 1.33 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 0.00 257 V 8.51 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 3.99 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 3.96 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 0.90 0.91 0.00 0.00 267 S 8.18 4.23 0.00 4.01 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 1.36 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 0.00 270 A 8.01 4.12 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 0.00 271 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 0.92 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.