NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 P 4.4119 0.0000 0.0000 62.8638 32.0503 176.1351 16 N 4.8283 8.5691 114.9282 49.9693 40.5745 172.1666 17 P 4.4360 0.0000 0.0000 63.0033 34.0606 175.0466 18 T 5.1501 8.7926 120.1226 61.8943 71.4317 173.2609 19 I 5.3876 9.0774 120.5318 58.6336 40.5413 174.5020 20 T 5.0963 8.3536 113.1827 60.1748 71.1892 173.4614 21 V 4.3828 8.4033 118.5157 59.0364 35.6300 174.8619 22 F 5.1137 8.5180 120.8875 57.3027 39.0063 176.3562 23 E 4.1160 8.9958 120.9075 58.3834 29.7707 177.0841 24 R 4.6290 7.8709 117.4016 54.0110 32.5461 174.7689 25 S 4.5469 8.6702 118.8216 56.9011 64.0686 173.8264 26 P 4.3742 0.0000 0.0000 65.3850 31.4406 177.3643 27 D 4.3044 8.0771 117.9544 54.1455 40.0847 175.7268 28 G 2.8805 7.6417 106.5215 46.0660 0.0000 173.5929 29 G 3.9079 7.4824 99.5565 46.6790 0.0000 174.2866 30 R 4.3598 8.1105 117.3063 54.7880 31.1712 176.2944 31 G 3.6943 8.0287 105.2315 47.1130 0.0000 174.1416 32 L 4.5889 7.8932 116.1447 54.2508 44.2696 177.3495 33 A 4.3322 7.5920 121.0779 51.7679 18.8775 178.1167 34 R 4.2848 8.4315 116.6818 57.2568 30.2550 178.1647 35 D 4.5768 7.8862 118.9678 55.0741 39.7855 178.0005 36 M 3.9939 7.9267 120.5101 58.4317 32.2873 176.3040 37 P 4.4130 0.0000 0.0000 65.3835 31.4196 178.7503 38 V 3.4836 7.7201 116.6608 66.0108 31.5586 177.8245 39 R 3.6192 8.0305 117.7852 59.1057 29.9843 178.6480 40 W 4.3766 8.4658 127.7326 60.6607 30.5446 177.8021 41 A 3.9209 8.1644 120.4733 55.1702 17.8357 179.5297 42 L 3.9117 8.0368 117.6474 58.1291 41.8080 179.7398 43 E 4.1744 8.5558 118.5444 59.2343 29.1837 178.8660 44 E 4.2194 8.3906 118.6384 58.2580 29.8049 177.8999 45 V 4.1930 7.5929 116.5984 62.0320 32.2891 176.2441 46 G 3.8163 7.4948 104.7555 46.1671 0.0000 172.7805 47 Q 4.3105 7.9119 121.2167 53.7939 29.3079 173.9798 48 P 4.4963 0.0000 0.0000 62.8165 32.0573 175.2615 49 Y 5.0935 7.6941 119.2083 55.8312 41.2229 174.0945 50 H 4.8118 9.3026 118.8123 54.8468 31.1389 174.2647 51 V 4.9330 8.3004 120.3848 61.2456 34.2842 174.6817 52 R 4.7403 8.8586 126.2645 54.4550 33.0598 174.9797 53 R 4.9852 8.6384 122.5297 55.3821 31.3658 175.7713 54 L 5.0241 8.7473 122.7204 53.2993 45.5940 175.7870 55 S 4.9274 8.4434 115.0047 57.3463 67.0350 173.9385 56 F 4.6163 8.3083 121.2775 55.9492 41.8737 174.0170 *68 Q 3.6596 8.3990 119.9891 55.7890 28.7147 174.4267 69 P 3.9361 0.0000 0.0000 64.1545 31.2114 177.3828 70 F 4.6534 7.6216 115.0396 56.2168 40.0634 175.9543 71 G 4.1977 7.7396 107.5080 46.4187 0.0000 174.2388 72 Q 4.4833 7.3878 119.2887 54.2810 30.7713 174.7756 73 I 4.4761 7.8799 111.0080 58.7657 40.1113 172.8830 74 P 5.0547 0.0000 0.0000 61.1155 33.2298 175.0324 75 S 5.0375 8.5907 116.0825 57.4298 65.8578 172.2121 76 Y 5.1192 8.9153 122.1415 55.9774 41.7873 173.8296 77 E 4.9612 8.6358 125.7414 54.7057 33.0760 175.1203 78 Q 4.2072 8.7874 125.7675 54.1480 30.5140 176.0290 79 G 3.9939 8.7832 119.3476 46.3825 0.0000 174.1033 80 D 4.5517 8.8681 125.3034 54.5633 41.6239 176.0155 81 L 4.0988 7.7860 122.6238 54.6311 42.5209 174.7278 82 I 5.0401 8.3998 126.1984 59.3241 40.1112 174.2908 83 L 5.1451 9.5797 129.6387 53.1198 44.9829 175.2953 84 F 5.2267 7.8401 115.1400 55.7916 42.0752 169.7721 85 E 3.7502 9.1552 125.4774 55.9714 29.1154 175.6968 86 S 4.1682 8.8028 120.4407 61.5741 62.8575 176.8946 87 G 3.4302 7.9213 107.4654 47.9307 0.0000 175.4859 88 A 3.8938 7.6454 123.2054 54.2636 18.4030 179.7148 89 I 3.2676 7.6559 118.5301 64.5344 37.2224 178.7487 90 V 3.4337 7.6564 118.9872 66.0390 31.2210 177.8907 91 M 3.9116 7.9185 118.3989 58.7226 31.5012 178.1466 92 H 4.0823 8.2376 118.4214 59.3354 29.7624 177.3397 93 I 3.6750 7.7289 121.3918 64.3149 36.7166 178.3122 94 A 3.8892 7.9160 120.6326 54.0813 18.2596 178.5984 95 Q 4.3676 7.7038 113.7040 57.0244 29.7061 176.5595 96 H 4.6138 7.5991 116.2209 55.2179 29.3422 173.8668 97 H 4.9328 7.0347 116.7153 54.0495 32.9731 172.9190 98 S 4.3956 8.3353 115.4219 58.7365 63.0617 173.4935 99 G 4.1816 8.8255 112.8770 45.5037 0.0000 174.5905 100 L 4.4861 8.0238 117.3043 54.2981 43.5728 175.9091 101 L 4.9600 7.4481 117.2151 51.7789 45.1094 174.6211 102 P 4.4659 0.0000 0.0000 62.4766 32.1082 176.6779 103 E 4.0581 8.7769 121.2578 59.4465 29.7998 178.2773 104 D 4.4428 7.9392 118.2112 54.4188 42.7550 176.9442 105 Q 4.0235 8.6974 125.3882 58.5793 29.0168 178.7084 106 L 4.0051 8.0657 120.0814 57.8750 41.8539 179.4839 107 R 4.0856 7.8807 116.9548 59.1293 30.0465 179.0990 108 R 3.9211 8.4294 118.7980 59.2879 30.1081 178.4528 109 A 4.0327 8.0638 120.7323 55.1795 18.4360 179.8623 110 R 3.9343 7.7413 115.7173 59.3254 30.1184 179.3932 111 T 3.9883 7.8672 115.3443 66.7561 68.4716 176.6332 112 V 3.6402 7.7936 119.8067 66.0497 31.3508 177.8004 113 A 3.9202 7.8611 119.9002 55.1245 18.1193 179.7502 114 W 4.1489 8.0152 116.8232 59.8394 29.1890 178.8424 115 M 4.0219 8.1940 118.8929 58.4797 31.3438 178.7758 116 F 4.0524 8.4342 117.7375 60.3868 39.0804 177.5616 117 A 3.9290 8.3787 120.4322 55.0218 18.1458 179.2840 118 A 4.0260 8.3728 119.5105 55.4198 18.2395 179.4922 119 L 4.2618 7.3962 114.2301 55.8375 42.4570 177.9068 120 N 4.8553 8.3859 114.5058 52.9435 38.2223 175.0592 121 T 4.4156 7.6881 115.5631 65.3917 71.2433 175.9981 122 I 3.9830 7.9753 121.8169 64.0732 37.2705 177.8783 123 E 3.9667 8.1252 120.1109 59.0783 29.4896 177.1810 124 P 4.3198 0.0000 0.0000 65.5638 31.1357 178.7464 125 S 4.1890 8.0744 113.6637 61.5665 62.7009 176.6594 126 I 3.8730 7.6762 121.8765 64.5407 36.9841 178.5059 127 L 4.1574 8.2528 121.5135 57.3726 41.0653 179.4155 128 N 4.4276 8.4294 116.4891 56.1608 38.3763 177.3490 129 F 4.4532 8.3035 122.2801 61.1231 39.0982 177.5371 130 T 3.7432 8.4262 110.0230 64.8180 68.6206 176.6087 131 T 4.2177 8.0328 112.8017 64.6004 68.7255 176.9283 132 V 3.6376 7.4571 120.7917 65.5940 31.4288 177.8989 133 W 3.8746 8.0240 127.0831 60.0225 30.5236 177.2014 134 L 4.1489 8.2457 117.7570 55.6053 41.7078 177.3916 135 F 4.9537 8.0009 113.7093 56.8970 41.5065 175.2564 136 E 4.7923 7.8783 120.8338 56.0571 29.7643 177.8956 137 R 3.7220 7.8517 118.0630 57.8392 30.7024 177.7065 138 N 4.4536 7.9379 115.6155 55.5438 39.3898 175.1166 139 E 4.2753 7.4570 116.3487 55.2501 30.2522 175.2290 140 P 4.2689 0.0000 0.0000 65.3493 31.8529 177.8110 141 W 4.8089 7.9388 118.4064 56.0362 30.1011 177.7056 142 H 4.1600 8.7236 119.9657 59.5991 28.9461 175.4883 143 E 3.9078 8.3105 118.3465 59.7037 28.8108 178.8981 144 A 4.1130 8.1144 121.4797 54.4761 18.6790 179.4087 145 R 3.9881 8.0934 117.0049 59.2444 30.1746 178.4201 146 L 4.0708 8.0295 120.1736 58.1936 42.0898 178.8997 147 A 4.1453 7.9256 120.6981 54.9842 18.1205 179.6633 148 R 3.9348 7.7474 116.7744 59.7398 30.0896 178.8207 149 T 4.0496 8.0896 109.6838 64.5543 68.8147 176.6562 150 K 3.5054 8.4293 122.6079 58.9439 32.0351 178.3680 151 E 3.9062 8.0452 119.2381 59.5536 29.4890 178.9535 152 Q 4.0020 7.8784 117.9974 58.6745 28.6812 178.4783 153 L 3.9057 7.9727 121.3886 58.2230 42.0954 179.0426 154 L 4.0150 8.1277 119.1970 57.7276 41.4499 179.7585 155 K 4.0091 7.8856 118.6436 59.4513 31.9111 179.5956 156 R 4.0735 7.7381 118.4687 59.3641 30.0108 179.1965 157 L 3.7667 8.0285 118.8374 57.4928 41.4031 179.1140 158 D 4.5698 8.3287 119.1143 57.6652 40.8787 178.8172 159 E 4.0264 8.3735 118.9344 59.3297 29.4531 179.2572 160 L 4.0808 8.1977 120.5684 58.3434 42.2186 179.0303 161 S 4.1470 8.7062 113.2794 61.1193 62.0833 175.9493 162 A 4.0522 8.1730 123.2539 54.6072 18.1639 179.2126 163 W 4.2612 8.0573 126.0636 60.6127 31.1200 177.7626 164 L 3.7481 8.1511 120.4779 54.8582 41.5417 180.7555 165 G 3.8536 8.2896 105.1498 46.8791 0.0000 173.5005 166 D 4.7399 8.9383 118.8890 53.6697 42.0463 176.5967 167 R 4.0014 7.7702 119.1710 56.0774 30.6954 176.6425 168 E 3.7021 8.5471 121.1617 58.1937 29.8146 176.0427 169 W 5.5872 7.4239 115.0271 54.6459 33.2244 174.9522 170 L 3.8567 9.1008 118.7073 57.8548 40.7476 178.4034 171 E 4.6496 7.9096 121.1147 55.6883 31.2011 175.9713 172 G 4.0264 8.2904 118.8780 46.1408 0.0000 174.7233 173 S 4.5049 8.7316 120.2886 57.4562 63.2235 173.3663 174 F 3.4286 8.3787 124.6211 58.3551 39.4700 174.3689 175 S 4.4539 7.9072 120.9740 55.1616 66.2752 174.6454 176 A 3.6244 8.3864 121.6518 54.8254 17.6485 179.7824 177 A 3.8875 7.4136 118.9310 55.3268 18.3433 179.5907 178 D 4.4567 7.4394 118.7758 56.7974 40.8080 178.8434 179 I 2.5728 6.7256 119.7603 64.0616 37.0314 178.3365 180 L 3.9452 7.4031 119.2391 57.9698 41.4084 179.2424 181 M 4.1368 8.3681 118.5413 58.7854 32.2049 178.3658 182 I 3.8518 8.2929 120.4232 64.6803 37.0836 178.2916 183 C 4.4492 8.2551 116.7186 62.6259 28.1036 176.0432 184 V 3.8037 8.0351 119.9303 66.1972 31.2372 178.2239 185 L 4.0970 8.4122 118.9222 57.7639 41.4920 179.6552 186 R 4.1257 8.2453 117.8318 58.6810 29.7660 178.6007 187 R 4.2131 7.7561 116.7694 57.6144 30.2900 177.2374 188 L 4.4913 7.8068 119.7794 54.9727 42.5145 177.5602 189 E 3.9428 8.0550 118.7331 60.3248 29.2533 178.7363 190 S 4.1271 8.1438 112.1810 60.8054 62.5435 174.7104 191 S 2.9479 7.4405 112.3489 56.7908 63.6329 175.5501 192 G 3.8822 7.9577 109.4363 46.4751 0.0000 175.7207 193 I 3.7924 7.1368 121.7615 63.9309 36.8485 177.5034 194 L 4.5253 7.7886 117.5320 55.7509 41.3352 178.8171 195 K 4.1059 7.8716 118.9697 58.9422 32.0530 177.8258 196 D 4.7837 7.5253 115.4577 53.7427 41.9241 176.4522 197 Y 4.5653 7.5727 118.7318 55.0049 38.7754 176.2480 198 G 3.6663 8.5811 111.5751 47.6980 0.0000 172.2986 199 N 4.3659 8.1280 119.4979 55.6320 37.4987 177.1719 200 L 4.0768 7.9613 120.8883 57.2005 41.7463 179.1260 201 L 3.9470 8.4190 120.5490 58.1966 42.0840 178.8839 202 A 3.9866 8.2766 120.9829 55.1289 18.1264 178.9128 203 Y 4.0264 8.3495 118.3949 60.8727 38.9146 178.5212 204 V 3.4471 7.7794 118.9313 66.1117 31.5763 177.7539 205 E 3.8101 8.0498 118.2312 59.3110 29.0292 179.2169 206 R 3.9031 8.1219 118.3446 59.5091 30.2963 178.5453 207 G 4.0384 7.9583 105.2442 47.8715 0.0000 175.9509 208 K 2.4800 7.6064 119.6435 58.2422 32.0291 178.8674 209 A 4.0692 7.7774 119.6224 52.7739 18.8115 177.7946 210 R 4.1175 7.3423 118.3137 54.8247 30.9617 175.9467 211 P 4.2654 0.0000 0.0000 66.0997 31.0281 178.5950 212 A 4.0441 8.0186 119.9686 54.7975 18.2919 179.1594 213 F 3.0402 7.9069 118.5882 61.1442 39.4078 177.2493 214 K 3.9152 8.0455 118.0632 59.6270 31.8856 179.5661 215 R 3.9200 8.4175 118.3938 59.1839 30.0002 179.0271 216 A 4.0285 7.9860 120.6116 54.9473 18.2808 179.3917 217 F 3.6273 8.5228 119.6632 61.4845 39.4111 177.0356 218 D 4.4283 8.4343 118.3212 57.5142 40.4208 178.7951 219 A 3.9995 7.6796 119.6171 54.8748 18.2717 179.2742 220 Q 3.9750 7.9479 118.3776 59.3041 29.2726 178.1475 221 L 3.8992 7.9871 121.4638 57.9756 41.8570 178.7058 222 A 4.2146 7.9750 121.2928 53.9796 18.1818 179.5407 223 V 3.7035 7.5340 117.1133 66.1296 31.2310 177.9849 224 F 4.3743 8.2295 120.2688 61.5413 39.0685 176.9578 225 T 3.5076 8.0142 108.7483 64.2009 68.4472 176.6501 226 A 3.9443 7.6424 122.7377 53.9062 18.4453 177.0674 227 A 4.2381 7.3143 123.8562 52.2946 19.3070 176.0517 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 15 P 0.00 4.41 0.00 2.21 1.90 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 16 N 8.57 4.83 0.00 2.87 2.85 0.00 0.00 6.77 7.13 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 17 P 0.00 4.44 0.00 2.07 1.54 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 18 T 8.79 5.15 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 1.22 0.00 0.00 19 I 9.08 5.39 1.92 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 1.08 2.16 1.01 0.00 0.00 20 T 8.35 5.10 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 1.22 0.00 0.00 21 V 8.40 4.38 2.11 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 0.82 0.00 0.00 0.98 0.00 0.00 22 F 8.52 5.11 0.00 3.02 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 23 E 9.00 4.12 0.00 2.10 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 2.64 2.35 0.00 24 R 7.87 4.63 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 25 S 8.67 4.55 0.00 4.24 4.04 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 26 P 0.00 4.37 0.00 2.24 2.22 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 27 D 8.08 4.30 0.00 2.75 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 28 G 7.64 2.88 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 0.00 0.00 0.00 29 G 7.48 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 30 R 8.11 4.36 0.00 1.80 2.04 0.00 3.33 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 G 8.03 3.69 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 0.00 0.00 0.00 32 L 7.89 4.59 0.00 1.65 1.75 0.98 1.03 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 33 A 7.59 4.33 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 34 R 8.43 4.28 0.00 1.84 1.99 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 35 D 7.89 4.58 0.00 2.94 2.90 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 36 M 7.93 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 37 P 0.00 4.41 0.00 2.19 2.09 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 38 V 7.72 3.48 2.21 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 1.11 0.00 0.00 0.95 0.00 0.00 39 R 8.03 3.62 0.00 2.13 2.02 0.00 3.20 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 1.75 1.76 0.00 40 W 8.47 4.38 0.00 3.47 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 41 A 8.16 3.92 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 42 L 8.04 3.91 0.00 1.47 1.55 0.36 1.08 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 43 E 8.56 4.17 0.00 2.32 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 0.00 2.71 2.66 0.00 44 E 8.39 4.22 0.00 2.35 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 2.58 2.47 0.00 45 V 7.59 4.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.99 0.00 0.00 46 G 7.49 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 0.00 0.00 0.00 47 Q 7.91 4.31 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 48 P 0.00 4.50 0.00 2.07 1.93 0.00 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0.00 0.00 134 L 8.25 4.15 0.00 1.30 0.73 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.00 4.95 0.00 3.23 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 0.00 136 E 7.88 4.79 0.00 2.22 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 2.32 2.59 0.00 137 R 7.85 3.72 0.00 1.65 1.77 0.00 3.10 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 138 N 7.94 4.45 0.00 2.67 2.84 0.00 0.00 7.05 7.65 0.00 0.00 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 E 7.46 4.28 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 140 P 0.00 4.27 0.00 1.95 2.09 0.00 3.82 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 2.17 2.07 0.00 141 W 7.94 4.81 0.00 3.44 3.26 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 0.00 142 H 8.72 4.16 0.00 3.46 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.31 3.91 0.00 2.25 2.24 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 2.47 2.39 0.00 144 A 8.11 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.09 3.99 0.00 2.02 2.01 0.00 3.16 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 146 L 8.03 4.07 0.00 1.90 1.90 0.98 1.11 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 0.00 147 A 7.93 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 3.93 0.00 2.11 1.98 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 149 T 8.09 4.05 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 150 K 8.43 3.51 0.00 2.08 1.88 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 0.96 7.81 151 E 8.05 3.91 0.00 2.33 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 2.32 2.37 0.00 152 Q 7.88 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 153 L 7.97 3.91 0.00 1.75 1.67 0.85 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.13 4.02 0.00 2.01 1.75 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.89 4.01 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 156 R 7.74 4.07 0.00 1.91 1.96 0.00 3.45 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 157 L 8.03 3.77 0.00 1.16 0.62 0.58 0.73 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 0.00 158 D 8.33 4.57 0.00 2.97 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 0.00 159 E 8.37 4.03 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 160 L 8.20 4.08 0.00 1.91 1.78 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.71 4.15 0.00 4.00 4.04 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 0.00 162 A 8.17 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 W 8.06 4.26 0.00 3.62 3.40 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 0.00 164 L 8.15 3.75 0.00 1.75 1.51 0.56 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.29 3.85 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 0.00 0.00 0.00 166 D 8.94 4.74 0.00 2.54 2.59 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 0.00 167 R 7.77 4.00 0.00 1.65 1.88 0.00 2.86 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 168 E 8.55 3.70 0.00 1.68 1.53 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 0.00 1.47 1.87 0.00 169 W 7.42 5.59 0.00 3.46 3.50 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 0.00 170 L 9.10 3.86 0.00 1.48 0.92 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.91 4.65 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 172 G 8.29 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 0.00 0.00 0.00 173 S 8.73 4.50 0.00 3.90 3.86 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 0.00 174 F 8.38 3.43 0.00 1.64 2.53 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 0.00 0.00 0.00 0.00 175 S 7.91 4.45 0.00 3.91 3.72 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 0.00 176 A 8.39 3.62 1.18 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 0.00 0.00 177 A 7.41 3.89 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 0.00 178 D 7.44 4.46 0.00 1.76 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 0.00 179 I 6.73 2.57 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 0.60 0.00 0.00 180 L 7.40 3.95 0.00 1.73 1.67 0.82 1.19 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 0.00 181 M 8.37 4.14 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.69 0.00 182 I 8.29 3.85 2.26 0.00 0.00 0.73 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 0.17 1.14 0.00 0.00 183 C 8.26 4.45 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.80 2.38 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 1.09 0.00 0.00 1.07 0.00 0.00 185 L 8.41 4.10 0.00 1.97 1.78 1.16 0.91 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 0.00 186 R 8.25 4.13 0.00 2.16 2.10 0.00 3.18 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.10 0.00 187 R 7.76 4.21 0.00 2.00 2.05 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 188 L 7.81 4.49 0.00 1.97 1.64 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.06 3.94 0.00 2.23 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 2.34 2.34 0.00 190 S 8.14 4.13 0.00 3.84 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 0.00 191 S 7.44 2.95 0.00 2.72 2.80 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 0.00 192 G 7.96 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 0.00 0.00 0.00 193 I 7.14 3.79 1.78 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.85 0.00 0.00 194 L 7.79 4.53 0.00 1.72 1.76 0.99 0.73 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 0.00 195 K 7.87 4.11 0.00 1.93 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 196 D 7.53 4.78 0.00 2.37 2.36 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 0.00 197 Y 7.57 4.57 0.00 2.92 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 0.00 198 G 8.58 3.67 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 0.00 0.00 0.00 199 N 8.13 4.37 0.00 2.94 3.07 0.00 0.00 6.21 6.67 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 0.00 200 L 7.96 4.08 0.00 1.99 1.82 0.84 0.29 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 0.00 201 L 8.42 3.95 0.00 2.10 1.88 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.28 3.99 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 0.00 203 Y 8.35 4.03 0.00 3.08 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 0.00 204 V 7.78 3.45 2.21 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 0.91 0.00 0.00 1.04 0.00 0.00 205 E 8.05 3.81 0.00 2.14 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 2.50 2.41 0.00 206 R 8.12 3.90 0.00 1.86 1.83 0.00 2.95 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.47 0.00 207 G 7.96 4.04 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 0.00 0.00 0.00 208 K 7.61 2.48 0.00 1.46 1.26 0.00 1.31 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.11 7.81 209 A 7.78 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 0.00 210 R 7.34 4.12 0.00 2.05 1.85 0.00 2.55 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 211 P 0.00 4.27 0.00 2.28 2.33 0.00 3.69 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 2.08 2.05 0.00 212 A 8.02 4.04 1.60 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 0.00 213 F 7.91 3.04 0.00 1.93 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 0.00 214 K 8.05 3.92 0.00 2.05 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.78 7.81 215 R 8.42 3.92 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 216 A 7.99 4.03 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 0.00 217 F 8.52 3.63 0.00 2.64 3.02 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 0.00 0.00 0.00 218 D 8.43 4.43 0.00 2.77 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 0.00 219 A 7.68 4.00 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 0.00 220 Q 7.95 3.97 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 221 L 7.99 3.90 0.00 1.58 1.78 1.06 1.64 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 0.00 222 A 7.97 4.21 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 0.00 223 V 7.53 3.70 2.30 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 1.06 0.00 0.00 1.02 0.00 0.00 224 F 8.23 4.37 0.00 3.04 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 0.00 225 T 8.01 3.51 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 1.25 0.00 0.00 226 A 7.64 3.94 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 0.00 227 A 7.31 4.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.