NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6483 8.3649 120.5365 53.9909 42.3093 174.8172 2 I 3.8723 8.2365 123.3715 60.1803 38.1759 170.0649 3 V 4.5059 9.5940 126.4161 61.1074 34.8486 173.8013 4 L 5.3542 8.5645 126.7802 53.0448 44.6404 175.1817 5 I 4.5862 9.0001 124.1660 59.6381 40.3727 174.6292 6 Q 5.1261 8.9451 125.7955 53.1240 29.5386 176.3548 7 S 3.7866 8.9772 119.8807 60.3910 63.1528 174.7009 8 T 4.5014 7.2954 117.6626 61.7648 69.2740 174.0637 9 S 4.6922 8.5274 121.8890 59.5181 64.7719 173.9865 10 S 5.2078 7.8573 114.1649 56.8742 65.3948 173.2076 11 L 4.8966 9.2500 126.6888 54.2764 43.9479 174.7294 12 S 5.3917 8.7019 115.6339 56.8820 65.8113 172.6763 13 A 4.6770 8.7391 122.7826 51.3033 23.3718 174.6497 14 S 4.9755 8.9454 113.9080 56.5438 65.6365 174.8503 15 L 4.2076 8.3640 122.2506 56.7017 41.8792 177.8990 16 G 3.9779 9.1742 111.8406 45.2621 0.0000 173.3505 17 D 4.5761 7.8543 119.6827 54.2728 42.0917 175.5512 18 R 4.7952 8.2612 121.6966 55.0513 31.3842 175.6714 19 V 4.4352 8.6704 125.3820 61.3686 35.0960 174.2382 20 T 4.9230 8.3406 122.7544 61.9154 71.9027 173.0087 21 I 4.5412 8.6970 128.0296 59.4340 39.3223 175.1263 22 S 5.3130 8.6698 121.2263 57.4951 65.7797 173.5936 23 C 5.4538 9.5847 121.6521 55.2013 44.8780 172.3600 24 R 5.2826 9.3149 126.8561 54.5924 32.0065 174.3138 25 A 5.2892 9.1221 128.5516 50.4486 21.0831 177.9071 26 S 4.3928 8.8081 115.0487 60.5010 63.5791 173.9620 27 Q 4.5325 7.5461 117.4760 54.4948 31.3562 173.4946 28 D 4.5304 8.7262 118.6022 55.2027 41.4264 175.9437 29 I 4.3576 8.6290 118.8277 59.7446 37.9797 175.8576 30 R 3.6070 9.2456 118.0726 57.8941 27.8731 176.6660 31 N 4.4623 8.0697 110.5850 53.7897 37.5557 174.6566 32 Y 4.9298 7.2135 118.6946 55.8932 36.5812 172.9385 33 L 4.8437 7.6419 122.1037 53.0876 45.8907 174.7313 34 N 5.4586 9.0812 123.2819 51.2057 42.5742 173.4114 35 W 5.3574 8.9898 120.3779 55.2574 32.7150 174.2611 36 Y 5.1244 9.6341 122.0355 56.1648 41.2716 174.2773 37 Q 4.4585 8.9299 123.7189 54.1319 32.0206 173.7886 38 Q 4.9347 8.6317 127.9636 54.0457 31.4395 175.5249 39 K 4.4985 8.7114 126.3170 55.2156 32.9435 176.4099 40 P 4.2334 0.0000 0.0000 65.6256 31.2066 177.4072 41 D 4.5513 8.0446 115.1304 53.4935 39.5866 177.1283 42 G 4.0838 8.2803 109.8177 45.5801 0.0000 174.4348 43 T 4.1282 8.4191 111.0327 61.5444 69.4709 173.3552 44 V 4.5790 7.9646 122.9893 61.0754 34.1248 174.7206 45 K 4.5957 8.3545 124.8456 54.4754 36.8361 175.1117 46 L 4.2474 8.6600 126.1546 55.2101 42.3821 175.7428 47 L 4.4809 8.9311 125.9858 55.8526 44.1085 176.6898 48 I 5.2368 7.5996 118.2189 59.5636 41.4806 174.1433 49 Y 5.1618 8.4149 123.7245 55.1460 41.6586 174.2149 50 Y 4.2558 9.5137 118.6435 58.2213 37.9961 170.9666 51 T 3.9207 8.8741 124.6393 64.2979 68.0636 174.4698 52 S 4.7729 7.5645 109.2747 57.3864 64.4979 173.5150 53 R 4.0650 7.7707 122.1986 55.7015 30.8930 175.5642 54 L 4.7257 8.2395 124.2615 53.8152 42.9190 176.6771 55 Q 4.5432 8.9609 125.3590 55.6299 30.4177 175.6822 56 S 4.3641 8.6517 119.5687 60.1664 63.3375 174.4562 57 G 3.9805 8.9477 111.9582 45.2984 0.0000 173.7963 58 V 3.7675 7.2995 120.0466 61.3412 32.2741 174.0911 59 P 4.5107 0.0000 0.0000 62.7113 31.6670 177.3997 60 S 4.3444 8.6010 114.6731 60.5727 63.2719 175.3325 61 R 4.0280 7.9921 117.7967 58.1191 30.1792 176.1115 62 F 5.1033 8.0532 119.5803 56.5821 40.2604 175.3716 63 S 4.7038 8.8710 116.3446 57.1627 66.6929 173.1002 64 G 4.7548 8.3720 106.7544 43.7739 0.0000 171.6774 65 S 4.7777 9.6728 117.6502 56.7253 68.2175 172.8592 66 G 4.2884 8.0487 106.9420 43.4229 0.0000 172.5492 67 S 4.3151 7.7837 112.8585 58.1359 67.4601 180.5819 68 G 3.7911 8.3809 113.4929 47.2057 0.0000 176.0975 69 T 4.6208 8.8191 117.5108 61.0892 70.4313 173.0432 70 D 5.2800 7.7290 123.6070 52.9057 43.1713 175.0034 71 Y 5.3698 9.1261 120.4936 56.6590 42.9807 174.3149 72 S 5.3637 9.3428 114.1813 57.3990 67.1535 172.6892 73 L 4.6577 8.3401 123.1515 53.3735 44.7115 175.2282 74 T 4.9203 8.7560 122.0420 61.6818 72.6291 172.9071 75 I 4.3647 8.3220 126.6424 59.2375 38.7430 176.5998 76 S 4.1049 8.9251 124.3101 60.9624 64.1306 173.9293 77 N 5.1915 7.5773 117.7496 50.7876 39.0675 174.3285 78 L 3.9650 8.9945 127.8167 55.4369 43.3650 175.7430 79 E 4.9297 9.0252 124.3428 54.2446 33.2620 176.8711 80 Q 3.9633 8.8305 122.5458 59.3574 29.1726 178.1778 81 E 4.2419 8.1276 113.0858 57.9880 29.7183 176.8314 82 D 4.8868 7.9515 118.8391 54.9961 41.5016 176.9236 83 I 3.9487 7.6864 121.4264 60.2400 38.0549 177.0118 84 G 3.7969 6.9612 110.4244 45.8634 0.0000 170.3516 85 T 5.0025 7.9286 116.7826 61.9271 71.6596 172.9936 86 Y 5.1468 8.8297 123.7366 56.3281 40.7255 174.7626 87 F 5.4714 9.5833 122.3191 55.9090 42.8933 172.1108 88 C 4.6446 8.8395 117.4368 54.4290 42.0291 172.2104 89 Q 4.7820 8.3324 120.6977 54.8042 30.9218 173.2825 90 Q 4.6280 8.6646 124.7783 54.5107 31.1102 175.8542 91 G 2.8930 8.1658 108.4038 45.8489 0.0000 173.7534 92 N 4.4546 8.7482 121.5885 55.4271 39.4367 175.5728 93 T 4.7267 7.7556 112.0559 61.5818 72.6020 173.5719 94 L 3.4468 8.0058 125.5145 53.4976 42.3485 175.2411 95 P 4.0256 0.0000 0.0000 61.7442 32.3552 176.1917 96 W 4.7353 6.7366 120.3456 57.4256 29.7479 175.4666 97 T 5.0605 8.2736 111.3742 60.1730 71.9909 172.6674 98 F 5.4009 9.1282 120.6316 55.6211 42.4064 175.4145 99 G 4.1232 9.1625 110.8467 44.7114 0.0000 174.9638 100 G 3.6204 8.5994 107.2937 46.4565 0.0000 175.1886 101 G 3.5252 8.4215 105.8964 45.8025 0.0000 172.7651 102 T 4.8205 8.1727 116.0919 61.3289 72.1857 173.1064 103 K 4.5592 9.1064 129.7191 55.7062 33.6795 175.0690 104 L 5.1824 9.3174 130.0564 53.5314 44.3851 174.9441 105 E 5.0371 8.9599 124.4398 54.5947 34.5383 174.3855 106 I 4.7771 8.3090 124.0285 60.9573 38.1167 177.2640 107 R 4.0950 8.9180 130.4014 57.2651 30.4869 174.7467 *108 R 4.1527 8.1639 113.1469 56.7403 31.2917 176.8212 *1004 L 4.2748 7.8804 118.1827 54.7294 43.6754 174.9477 1005 Q 4.5921 8.8805 125.8313 54.7869 30.3367 174.4451 1006 Q 5.1819 8.9121 126.2568 54.2496 30.7959 176.0122 1007 S 4.3935 8.4318 116.7249 58.0037 64.1685 173.8358 1008 G 4.0380 8.4866 108.4586 44.9251 0.0000 171.4534 1009 P 4.7913 0.0000 0.0000 63.1014 32.0153 175.7069 1010 E 4.7526 9.1969 120.7008 54.4987 33.6649 174.3663 1011 L 5.2270 8.5711 125.1597 52.6968 43.8899 175.4104 1012 V 4.5405 9.1774 126.8527 60.9585 34.8444 174.8878 1013 K 4.7570 8.3200 124.4240 54.0977 33.9117 174.7331 1014 P 4.3786 0.0000 0.0000 64.4801 31.8469 177.2278 1015 G 3.8513 9.6120 111.4762 45.1915 0.0000 173.1781 1016 A 4.7705 7.8155 121.9160 51.6330 20.5753 176.1354 1017 S 5.1564 8.4152 113.1527 57.1517 67.3187 173.9660 1018 V 4.7202 8.4465 113.1323 59.7715 36.4302 174.9220 1019 K 4.8188 8.4985 123.1067 55.0024 34.4487 175.2324 1020 I 4.7282 8.6017 121.9856 59.2967 40.6625 174.7506 1021 S 5.2744 8.8841 117.7178 57.0367 66.8865 172.5960 1022 C 4.6708 8.7833 120.8435 55.6127 46.4468 172.1808 1023 K 4.6526 9.0075 129.3134 54.9187 33.7554 174.4564 1024 D 5.0496 8.3891 127.9172 52.5416 42.0400 176.2548 1025 S 4.2759 8.7975 120.4892 59.3017 64.1509 174.8374 1026 G 3.5517 8.6491 112.1369 45.1687 0.0000 174.4716 1027 Y 4.2191 7.9945 119.2428 58.8486 38.5543 176.3727 1028 A 4.5009 7.1251 122.9622 51.8561 19.2586 178.0924 1029 F 4.0831 7.6989 120.8700 62.2923 38.8896 177.0328 1030 S 3.8549 8.0361 113.1772 59.4893 63.1917 174.8596 1031 S 4.3759 7.5133 115.0569 56.8802 63.0324 173.4470 1032 S 4.8243 7.0880 114.6923 57.3524 67.2220 173.0816 1033 W 4.8014 9.3052 121.6273 55.8391 31.0043 175.2956 1034 M 4.6128 9.2291 125.4845 54.2427 33.1962 174.7698 1035 N 5.5256 9.0536 124.4598 52.0335 41.4975 174.2646 1036 W 5.3035 8.6444 119.9028 54.9843 33.4070 174.7291 1037 V 4.9225 9.2545 123.4066 61.0484 34.6801 173.8209 1038 K 4.5479 9.1075 128.9860 54.7868 34.6041 174.7593 1039 Q 4.6028 8.6173 127.4270 54.6221 32.2240 173.8803 1040 R 4.9492 8.4807 125.4193 53.3834 33.0986 174.1686 1041 P 4.3471 0.0000 0.0000 64.5983 31.2116 176.4507 1042 G 3.9787 9.0059 109.9049 45.9334 0.0000 172.7357 1043 Q 4.7691 7.8646 117.8070 53.2504 31.1832 175.8753 1044 G 3.8672 8.5661 109.6852 45.0406 0.0000 171.9925 1045 P 4.4566 0.0000 0.0000 62.5606 32.4214 175.4259 1046 E 4.9772 8.9852 120.9854 54.3575 33.1225 175.0061 1047 W 4.8281 9.3264 134.5987 57.4839 31.1528 175.7862 1048 I 3.2438 8.6568 129.2964 62.2970 37.9445 176.2354 1049 G 2.7130 5.7412 105.5333 46.3588 0.0000 170.9953 1050 R 5.4326 7.7882 114.9884 55.1519 33.3802 173.9672 1051 I 5.2579 9.0661 119.6157 59.6686 41.9876 173.5922 1052 Y 4.2217 8.7480 130.3090 54.9793 38.6935 174.0936 1052A P 3.9858 0.0000 0.0000 65.1165 31.7109 178.2155 1053 G 3.6547 7.1597 105.7760 47.3235 0.0000 173.7250 1054 D 4.6138 7.6350 113.9153 52.3228 40.8614 176.0492 1055 G 3.8966 8.5338 107.3640 45.7378 0.0000 173.6207 1056 D 4.7111 8.2578 120.7656 54.6443 42.1774 175.2982 1057 T 5.4163 8.5893 114.1914 60.1801 72.4601 172.7765 1058 N 5.0903 8.9050 119.5365 51.9686 42.5178 173.0763 1059 Y 4.8122 8.6916 120.6285 55.7812 41.4650 174.8745 1060 N 4.6416 9.0747 122.3724 53.3287 39.8038 175.9880 1061 G 3.8992 9.3292 115.4805 48.8188 0.0000 175.1929 1062 K 3.8257 8.2881 119.8944 58.3812 32.3154 177.1777 1063 F 4.7357 8.4451 115.8871 56.7505 39.6689 177.0007 1064 K 3.4834 8.0329 123.4311 58.8820 31.9195 177.6055 1065 G 3.8839 7.8796 104.4700 45.2596 0.0000 173.2942 1066 K 4.4315 7.8527 121.1217 56.8101 34.6469 175.5093 1067 A 5.2410 8.3337 120.3049 50.2914 21.6713 176.2426 1068 T 4.6179 8.7188 117.2194 61.8508 71.9903 172.9231 1069 L 5.0923 9.3093 127.7701 53.4410 43.5279 176.0792 1070 T 4.9404 8.8238 112.2846 60.6888 73.0209 171.9704 1071 A 5.2774 8.3802 121.4092 51.1646 22.7281 175.6797 1072 D 4.6278 9.5632 118.7152 52.5239 43.6302 176.3985 1073 K 4.2867 8.9849 127.3403 59.3853 32.4454 179.8912 1074 S 4.2030 8.0288 113.1272 60.4181 62.8349 175.0776 1075 S 4.5238 7.8534 112.2394 56.8665 63.8260 173.6482 1076 S 2.8402 7.6323 116.2625 60.2326 60.8709 171.8265 1077 T 4.6990 7.4559 114.6139 61.5256 72.1500 174.2601 1078 A 5.3779 8.9324 127.5365 50.6200 22.1875 175.1655 1079 Y 5.3538 9.2794 117.5208 56.4128 42.6060 174.3948 1080 M 4.6654 8.5313 121.4400 53.6567 35.4215 173.5048 1081 Q 4.8338 8.8152 127.8248 54.3607 31.6786 173.8397 1082 L 5.1178 8.6598 126.7385 52.9476 44.1231 175.5297 1082A S 5.0593 8.7984 119.0194 56.3496 65.0401 174.1779 1082B S 4.0423 8.3622 113.6213 58.1315 60.3395 171.8267 1082C L 4.3755 8.6163 122.9485 54.8518 42.5791 177.1863 1083 T 4.8956 8.9839 112.8683 59.1421 71.6202 175.1376 1084 S 4.0994 8.4943 115.1330 61.2290 62.9334 176.6092 1085 V 3.7370 7.6344 119.8494 65.1027 31.3431 176.3297 1086 D 4.7291 8.0840 118.1580 55.6341 41.1023 176.5681 1087 S 4.5376 7.8706 116.5017 59.1717 63.2382 173.5370 1088 A 4.2189 8.5529 125.5777 51.7709 23.6964 174.2917 1089 V 4.4803 7.8674 118.8652 61.7354 33.3949 174.1676 1090 Y 5.1434 8.8817 125.8790 56.3345 40.4134 174.7737 1091 F 5.4124 9.7509 123.0181 55.8055 42.5953 172.0320 1092 C 4.5212 8.4292 115.5360 53.6050 42.7881 172.5744 1093 A 4.4652 8.1825 122.6239 50.6185 22.3685 175.4938 1094 R 4.9239 8.9263 124.2531 55.6717 32.1902 175.3278 1095 S 4.7022 9.1497 118.0242 57.5523 66.4153 173.0742 1096 G 4.3960 8.8257 109.4448 46.7971 0.0000 173.9816 1097 L 3.9600 8.0873 123.0552 56.5547 42.4459 177.5589 1098 L 4.4698 7.4333 121.0093 52.5172 42.8610 176.9646 1099 R 3.9225 8.7139 124.2636 59.2892 30.2652 177.5711 1100 Y 3.4244 7.5443 112.9170 56.4782 38.3817 174.1664 1100A A 4.3152 7.2030 124.4536 50.6563 20.0382 176.5436 1100B M 4.5113 8.7849 124.4437 55.3252 31.2132 176.1804 1101 D 4.8397 8.4913 123.2427 53.7356 40.8332 176.2291 1102 Y 4.8274 7.8892 117.4805 56.2117 41.7478 174.1854 1103 W 5.1323 9.1879 123.3199 54.7817 32.7050 175.5863 1104 G 4.2819 8.8728 111.1111 45.1739 0.0000 173.7835 1105 Q 4.3954 8.8023 116.5438 56.5277 29.2426 177.3147 1106 G 3.3566 8.4488 103.9036 45.8832 0.0000 172.7809 1107 T 4.5299 8.3217 116.5981 61.4158 72.1352 173.1096 1108 S 4.7798 8.7129 122.0198 57.6208 63.9627 172.5662 1109 V 4.9064 9.0309 128.6249 61.3669 33.5223 174.1885 1110 T 4.9303 9.0500 118.8494 59.8674 71.4026 173.0472 1111 V 4.5942 8.3993 126.2010 61.2563 32.8148 175.8514 1112 S 4.3707 9.3068 126.0318 58.5652 65.0707 175.4463 *1113 S 4.2574 8.3670 115.1122 58.4229 62.7865 171.2106 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 D 8.36 4.65 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.24 3.87 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.93 0.00 0.00 3 V 9.59 4.51 2.12 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 1.03 0.00 0.00 0.98 0.00 0.00 4 L 8.56 5.35 0.00 1.66 1.54 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.00 4.59 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.97 0.00 0.00 6 Q 8.95 5.13 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.69 2.27 0.00 7 S 8.98 3.79 0.00 4.00 4.06 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 0.00 0.00 0.00 8 T 7.30 4.50 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 1.24 0.00 0.00 9 S 8.53 4.69 0.00 3.93 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.86 5.21 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.25 4.90 0.00 1.71 1.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.70 5.39 0.00 3.85 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 13 A 8.74 4.68 1.23 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 0.00 0.00 14 S 8.95 4.98 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.36 4.21 0.00 1.61 1.59 0.91 0.97 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 16 G 9.17 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 0.00 0.00 0.00 17 D 7.85 4.58 0.00 2.80 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 18 R 8.26 4.80 0.00 1.74 1.74 0.00 2.93 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 19 V 8.67 4.44 1.86 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 0.74 0.00 0.00 0.81 0.00 0.00 20 T 8.34 4.92 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 21 I 8.70 4.54 1.48 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 1.04 0.00 0.00 22 S 8.67 5.31 0.00 3.98 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 23 C 9.58 5.45 0.00 3.03 3.06 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 0.00 0.00 0.00 24 R 9.31 5.28 0.00 1.94 1.79 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 25 A 9.12 5.29 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 26 S 8.81 4.39 0.00 3.93 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 27 Q 7.55 4.53 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 28 D 8.73 4.53 0.00 2.66 2.67 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 29 I 8.63 4.36 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.37 0.95 0.00 0.00 30 R 9.25 3.61 0.00 1.78 1.78 0.00 3.63 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 N 8.07 4.46 0.00 2.50 2.27 0.00 0.00 6.93 7.60 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 32 Y 7.21 4.93 0.00 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0.00 1082A S 8.80 5.06 0.00 3.80 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 1082B S 8.36 4.04 0.00 3.93 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 1082C L 8.62 4.38 0.00 1.71 1.59 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1083 T 8.98 4.90 4.25 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 1.26 0.00 0.00 1084 S 8.49 4.10 0.00 4.04 4.19 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 1085 V 7.63 3.74 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 0.95 0.00 0.00 1086 D 8.08 4.73 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 S 7.87 4.54 0.00 3.84 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 1088 A 8.55 4.22 0.93 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 0.00 0.00 1089 V 7.87 4.48 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 0.36 0.00 0.00 0.87 0.00 0.00 1090 Y 8.88 5.14 0.00 3.05 3.03 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 1091 F 9.75 5.41 0.00 3.07 3.06 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 0.00 0.00 0.00 1092 C 8.43 4.52 0.00 1.82 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 1093 A 8.18 4.47 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1094 R 8.93 4.92 0.00 1.81 1.81 0.00 2.91 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 1095 S 9.15 4.70 0.00 4.17 3.94 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 0.00 0.00 0.00 1096 G 8.83 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 0.00 0.00 0.00 0.00 1097 L 8.09 3.96 0.00 1.57 1.64 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1098 L 7.43 4.47 0.00 1.27 0.93 0.50 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1099 R 8.71 3.92 0.00 1.82 1.99 0.00 3.17 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 1100 Y 7.54 3.42 0.00 1.43 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 0.00 0.00 0.00 1100A A 7.20 4.32 0.81 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 0.00 0.00 1100B M 8.78 4.51 0.00 1.65 2.27 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 1101 D 8.49 4.84 0.00 2.41 2.65 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 0.00 0.00 0.00 0.00 1102 Y 7.89 4.83 0.00 2.89 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 1103 W 9.19 5.13 0.00 3.21 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 1104 G 8.87 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 0.00 0.00 0.00 0.00 1105 Q 8.80 4.40 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 1106 G 8.45 3.36 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 0.00 1107 T 8.32 4.53 4.34 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 1.35 0.00 0.00 1108 S 8.71 4.78 0.00 3.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 V 9.03 4.91 2.37 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 0.98 0.00 0.00 1.00 0.00 0.00 1110 T 9.05 4.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1111 V 8.40 4.59 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 0.81 0.00 0.00 1.00 0.00 0.00 1112 S 9.31 4.37 0.00 3.89 4.01 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 0.00 0.00 0.00 *1113 S 8.37 4.26 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.