NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1006 8.3549 109.7739 45.0812 0.0000 174.7919 2 D 4.1192 7.7535 118.5456 54.8088 41.0847 175.0986 3 S 4.5140 8.0235 114.6435 59.4234 66.4129 175.4790 4 E 4.6296 7.9126 120.9428 54.7104 29.6545 177.8169 5 R 4.1542 7.5996 118.3960 54.8395 29.6177 175.0007 6 H 4.4106 7.7778 121.1617 54.7309 31.1124 174.6029 7 F 4.9991 8.0043 123.8488 55.7283 42.2963 174.2741 8 V 4.7021 8.3257 122.7689 60.5418 35.1767 174.0275 9 V 5.6232 8.2189 112.9233 58.8601 35.8303 175.0975 10 Q 4.6511 9.0748 121.0215 54.1469 32.8070 173.9114 11 F 5.0854 8.9073 125.4388 56.5629 41.8546 174.6559 12 Q 4.0385 8.2755 124.9632 53.1126 30.9737 172.5357 13 P 4.6096 0.0000 0.0000 62.0578 32.9805 175.8116 14 F 4.4590 9.3135 120.2495 56.0899 42.9576 173.1058 15 C 4.9126 8.8328 121.5575 55.3382 38.2002 172.3368 16 Y 4.5966 8.5853 122.4612 57.2719 38.6603 174.5199 17 F 5.2608 9.1028 123.4700 56.0422 41.0998 175.4578 18 T 4.4307 8.6835 119.7406 62.4718 71.7429 172.5776 19 N 4.3151 9.7143 124.5479 55.0597 37.6980 174.7218 20 G 3.7120 7.6976 114.9434 46.6496 0.0000 172.1272 21 T 4.4839 8.3395 113.8593 60.9769 68.7987 174.9338 22 Q 4.0865 7.9915 123.1737 59.1743 29.0478 177.2383 23 R 4.6388 7.9467 117.9673 54.9504 33.4877 174.0897 24 I 4.9712 8.4763 126.3057 59.4284 41.0214 174.8118 25 R 4.6293 8.6827 125.0812 54.7727 33.3291 173.0210 26 Y 5.5031 9.2047 128.1441 56.0720 41.1216 174.2785 27 V 4.8076 9.0225 126.8080 61.3592 35.0477 174.0887 28 T 4.6810 8.9564 124.4942 61.9876 71.1371 173.0748 29 R 4.8609 8.5610 126.3120 54.7217 32.8240 175.2802 30 Y 4.6594 9.0749 121.8593 56.5337 39.9307 174.6511 31 I 4.3613 8.6404 126.1953 60.3187 39.5233 174.9509 32 Y 4.8768 9.7342 126.7939 58.0975 39.2903 176.9115 33 N 4.3241 7.9777 117.8635 53.9542 40.1557 176.7878 34 R 4.5177 7.6480 111.2974 56.1348 33.1134 173.5472 35 E 4.4209 8.1446 118.8728 55.1143 30.5902 174.2454 36 E 4.6372 8.8363 128.0630 56.0382 29.6115 174.8203 37 Y 4.7141 8.3904 125.8752 57.6867 40.2882 175.4076 38 L 5.1713 7.1879 120.2895 53.3038 46.3609 175.2495 39 R 5.3000 8.7329 123.1282 55.2660 34.1228 173.1508 40 F 4.7176 9.3884 128.6638 56.5458 41.9971 174.0576 41 D 4.6690 6.7501 123.7735 52.4432 43.4571 175.8607 42 S 3.6223 8.8536 122.5739 61.5572 63.2514 175.8451 43 D 4.4321 8.2507 120.2091 57.3407 39.7993 178.1640 44 V 3.5209 7.6288 118.0916 63.6707 31.7738 177.2675 45 G 3.9120 9.0282 107.4116 45.6299 0.0000 172.4173 46 E 4.7339 6.9902 119.2947 54.5307 33.4829 174.5521 47 Y 5.1331 8.9655 123.4378 57.3052 35.4439 175.4062 48 R 4.3703 7.9055 120.8417 55.5566 32.2631 176.3321 49 A 4.3612 8.5276 124.7968 52.2696 18.7960 177.6749 50 V 3.9802 9.0312 123.3273 65.2319 32.4624 175.8457 51 T 4.7604 7.6662 108.0965 59.1747 72.2144 173.6995 52 E 3.8510 8.9650 121.3002 59.5044 29.3938 178.5664 53 L 3.2079 7.9721 118.7891 57.6976 42.1374 177.7656 54 G 4.0475 8.1982 105.9316 45.3139 0.0000 175.2074 55 R 3.8703 8.9635 123.3546 58.8941 29.8492 176.7243 56 P 4.4094 0.0000 0.0000 64.3452 31.5442 177.1720 57 D 4.7270 7.8227 117.8076 56.2197 41.4776 177.6670 58 A 4.0159 7.3501 117.6066 55.8943 18.2762 178.8189 59 E 3.8678 8.2597 115.2053 59.6282 29.7269 178.5386 60 Y 4.0490 8.1679 118.4319 61.2302 38.7025 177.9254 61 Y 3.5762 8.6899 117.6544 61.1784 37.7159 178.5853 62 N 4.7051 8.3217 116.2008 56.7003 38.6576 176.6926 63 K 4.0148 7.7769 120.3257 58.7929 32.1610 178.7436 64 Q 3.4815 7.7371 118.6295 59.0759 28.6640 178.4843 *67 Y 4.8572 7.6845 115.5340 58.2348 40.3824 177.4899 68 L 4.0699 7.9963 121.4375 58.1284 42.2264 178.7658 69 E 4.0223 8.2640 118.9876 59.3773 29.4761 178.7730 70 R 3.9788 8.1915 117.4889 59.1625 30.3201 179.0046 71 T 4.0801 7.8317 115.2102 66.6458 68.6112 176.7394 72 R 4.0480 7.8595 119.7183 59.6899 30.1495 178.8414 73 A 4.0207 7.8193 120.0805 55.1788 18.3047 179.3397 74 E 4.3730 8.2102 118.4193 58.6715 29.4311 179.2741 75 L 3.5334 7.5953 120.1281 57.3262 42.0222 178.1676 76 D 4.5706 8.3471 118.6507 56.3948 41.9809 178.7457 77 T 3.9953 7.7618 109.0437 63.4286 68.9645 175.1310 78 V 4.1112 8.1010 119.3681 65.3717 33.1593 176.3103 79 C 4.5703 7.9009 116.0422 59.6913 41.2941 175.6821 80 R 4.0566 8.5443 119.8279 59.8813 29.9229 178.3485 81 Y 4.0728 8.0009 118.5776 61.0237 38.8144 177.9015 82 N 4.3721 8.5867 117.3605 56.4028 38.4442 176.7220 83 Y 3.6722 8.1079 120.9015 60.8778 38.7254 178.0493 84 E 4.0699 8.4555 118.6206 58.8361 29.6611 178.2384 84A E 4.1580 8.3434 118.6382 57.0419 30.0923 176.6170 85 T 4.3837 7.7242 107.4159 62.4182 71.2490 175.4142 86 E 3.8954 8.0287 121.2369 59.2534 29.8634 178.6959 87 V 3.4293 7.5359 117.6577 65.4732 31.3201 175.4571 88 P 4.3885 0.0000 0.0000 64.0400 31.5670 175.3840 89 T 4.2794 7.1355 107.8766 62.6204 71.6405 176.2998 90 S 4.1417 7.9530 115.5115 60.4966 63.8861 176.4148 91 L 4.3048 7.7944 117.9223 55.6060 41.5125 176.9719 92 R 4.4135 7.4225 117.2532 55.7423 31.2552 175.6381 93 R 3.9598 7.6847 118.5306 56.9093 30.0865 175.4963 94 L 5.0842 8.5120 124.8991 53.3489 44.7920 175.4943 95 E 4.8163 9.5850 124.6960 54.4139 31.9640 176.0845 96 Q 4.9821 8.6853 123.3854 54.5205 29.7392 174.3854 97 P 4.8448 0.0000 0.0000 62.9095 32.3903 175.3746 98 N 5.0453 9.2438 120.6370 51.7999 41.1798 174.3047 99 V 4.9266 8.2426 121.4118 61.4453 34.4202 174.8674 100 V 4.6731 8.8094 120.2073 59.7937 36.1984 174.3605 101 I 5.2470 8.5005 124.0031 59.8870 39.5933 175.1151 102 S 4.7752 8.7006 119.0190 56.9252 66.6871 172.6279 103 L 4.4899 8.3970 123.4586 54.3652 42.6672 176.6566 104 S 4.2609 8.6361 121.7814 60.6336 63.1387 174.9092 105 R 4.7154 7.1537 120.1261 56.4708 32.4991 176.6436 106 T 4.2508 8.4032 122.4671 63.4864 69.7509 174.1514 107 E 4.3757 8.6567 125.7015 55.5860 29.7957 174.8840 108 A 4.4550 8.2181 132.2024 51.8125 20.9701 176.2070 109 L 4.5993 8.1620 119.4841 54.2131 42.1499 176.2610 110 N 4.5021 7.3617 113.0329 53.6590 40.3196 172.8150 111 H 4.9763 7.6642 120.5479 54.1540 33.3862 172.9953 112 H 4.7684 8.6221 123.9883 55.5754 27.6177 173.6832 113 N 4.8454 8.1805 120.2574 52.1777 42.3401 174.1662 114 T 4.7468 7.9678 114.6125 62.3035 72.3969 173.2926 115 L 4.5537 8.3536 127.2037 53.4654 43.6601 175.7637 116 V 4.8347 8.6523 123.6750 61.2520 34.3872 173.2887 117 C 4.9361 9.5788 128.9452 55.1891 44.8856 172.5341 118 S 4.9502 9.1828 124.6664 57.5471 64.0874 173.7166 119 V 4.8962 8.7733 126.3008 61.4551 33.1606 174.4230 120 T 4.9119 8.7770 118.1817 60.1308 72.7497 173.2657 121 D 4.5596 8.2757 118.9849 55.6275 38.9415 173.8984 122 F 5.3781 7.2106 112.2450 55.9305 41.3715 173.6576 123 Y 5.3280 8.9595 119.5490 56.4387 42.6117 172.9845 124 P 3.4198 0.0000 0.0000 61.7653 33.5404 175.0089 125 A 3.5812 8.4669 121.2351 55.2665 18.3408 178.7288 126 K 3.7579 7.7472 115.9203 57.2868 32.4788 175.2779 127 I 4.3667 7.5604 123.5753 60.2284 41.0434 172.9990 128 K 4.5646 8.6007 127.1927 54.6873 35.4232 175.0091 129 V 4.8939 8.4297 126.4041 61.2736 34.2730 174.5843 130 R 4.7811 9.0438 125.2636 54.4014 35.1847 173.8046 131 W 5.5172 8.5474 120.3489 55.2491 32.0255 175.0265 132 F 5.2766 9.8139 121.6953 55.6963 43.1474 173.8756 133 R 4.5213 9.2479 122.2728 54.6263 32.5773 175.3132 134 N 4.1157 9.8956 126.7405 54.4478 36.6674 175.7395 135 G 3.9886 8.3858 103.7826 45.6316 0.0000 173.4110 136 Q 4.7738 7.9754 119.7768 53.6115 30.6851 174.7701 137 E 3.7192 8.8569 123.6704 55.9539 30.2592 175.4849 138 E 4.6176 8.6691 126.4775 55.1079 30.9393 176.0234 139 T 4.5603 8.1810 110.8006 61.0987 70.5002 175.4863 140 V 3.6716 8.0382 121.8818 65.8571 31.9536 178.0249 141 G 4.1519 7.7379 106.3141 46.4251 0.0000 172.3493 142 V 5.1768 7.6579 119.3514 60.9968 34.0117 174.8453 143 S 4.8899 8.9046 120.2296 57.3061 66.4358 173.3295 144 S 5.3819 8.5098 116.1866 56.5798 66.0246 173.5621 145 T 4.2674 8.5617 112.3910 61.4391 69.9374 173.8678 146 Q 4.2957 8.3158 121.2573 54.8322 30.0028 175.3311 147 L 4.1508 8.2736 121.2096 55.6091 42.9159 176.2607 148 I 4.3747 8.6297 127.6324 59.7990 38.8552 174.8318 149 R 4.4340 8.6351 128.8650 55.5754 30.0684 176.1814 150 N 4.3382 8.8148 124.8252 54.2116 38.8701 177.2965 151 G 3.8129 8.0720 105.6321 45.3928 0.0000 173.4284 152 D 4.9397 7.1791 117.9619 52.7151 39.6916 175.9591 153 W 3.2043 8.3566 116.1587 58.1839 26.1019 173.8740 154 T 4.8735 7.1550 105.4415 60.6509 72.2964 172.2792 155 F 5.2630 8.5658 120.9626 55.9695 43.7526 173.6151 156 Q 5.0752 8.5835 116.0710 55.3834 32.2303 173.9904 157 V 4.9578 9.2513 119.7597 60.3089 35.4154 173.5824 158 L 5.2673 8.6283 122.7223 52.9814 44.7327 175.4926 159 V 4.8234 8.6925 123.0624 61.5249 34.2900 174.1107 160 M 5.0702 9.5608 128.5210 54.1610 34.2732 175.1926 161 L 4.7820 8.6281 124.2727 53.0435 45.0172 175.1820 162 E 4.5372 8.9134 127.7760 56.3579 30.0907 176.1898 163 M 4.5644 8.6222 120.8892 54.7071 35.5945 173.7999 164 T 5.3910 8.4587 114.8729 59.6058 70.5685 172.5390 165 P 4.7156 0.0000 0.0000 63.3283 31.8471 176.1042 166 R 4.6681 8.2320 118.1089 54.9553 34.1494 174.5243 167 R 4.1359 8.5702 114.6664 57.3024 30.2492 176.6527 168 G 4.0892 8.6342 108.2014 46.4101 0.0000 172.2838 169 E 4.4821 7.6427 120.4947 54.2125 30.6941 175.0979 170 V 4.6433 8.7610 126.6856 61.6137 33.6339 173.7890 171 Y 5.3698 9.3387 126.0323 57.0287 40.4938 175.0607 172 T 5.3462 9.6999 119.0326 62.1010 73.3381 171.8954 173 C 4.7155 9.2827 125.8791 54.9378 46.9610 171.6739 174 H 5.3555 9.2962 126.9305 54.3727 32.0028 172.8719 175 V 4.8315 8.7687 125.5887 61.0544 34.8421 173.7889 176 E 4.9202 9.0830 126.8878 54.8211 32.7333 174.4680 177 H 5.0088 8.5429 122.4630 53.9659 33.1502 172.2113 178 P 4.3993 0.0000 0.0000 65.4760 31.5885 177.4958 179 S 4.4205 8.0340 110.7815 58.7251 63.7295 173.1346 180 L 4.8837 7.9072 122.6967 52.7261 42.7122 176.4803 181 K 4.1169 8.7881 125.5980 58.5156 32.5515 177.0574 182 S 4.7346 7.6061 112.9750 55.5005 66.1331 171.9020 183 P 4.4917 0.0000 0.0000 63.1625 32.1004 175.5390 184 I 4.5242 8.4122 123.2450 60.1203 39.3699 174.9617 185 T 5.0989 8.3322 115.4217 59.9694 71.3586 173.1026 186 V 4.5298 8.7694 125.8040 61.0147 34.4153 174.0174 187 E 5.4979 8.8649 125.6061 54.6324 32.5577 175.1177 188 W 5.2812 9.4327 131.4895 56.1494 34.4785 173.9979 189 R 5.1268 7.5344 123.6778 53.6106 34.1300 175.1384 190 A 3.7679 8.3470 122.0137 52.6701 18.3340 177.7019 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 G 8.35 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 0.00 0.00 0.00 2 D 7.75 4.12 0.00 2.80 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 3 S 8.02 4.51 0.00 3.92 3.90 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 4 E 7.91 4.63 0.00 1.89 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 2.15 2.20 0.00 5 R 7.60 4.15 0.00 1.91 1.82 0.00 3.48 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 6 H 7.78 4.41 0.00 2.94 3.02 0.00 5.87 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 7 F 8.00 5.00 0.00 3.05 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 8 V 8.33 4.70 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 0.78 0.00 0.00 0.96 0.00 0.00 9 V 8.22 5.62 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 1.16 0.00 0.00 1.04 0.00 0.00 10 Q 9.07 4.65 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 11 F 8.91 5.09 0.00 2.76 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 12 Q 8.28 4.04 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 13 P 0.00 4.61 0.00 2.00 1.67 0.00 3.10 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 14 F 9.31 4.46 0.00 2.75 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 0.00 0.00 0.00 15 C 8.83 4.91 0.00 2.98 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 16 Y 8.59 4.60 0.00 3.00 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 17 F 9.10 5.26 0.00 3.10 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 18 T 8.68 4.43 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 1.24 0.00 0.00 19 N 9.71 4.32 0.00 2.88 2.78 0.00 0.00 7.07 7.90 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 20 G 7.70 3.71 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 0.00 0.00 0.00 21 T 8.34 4.48 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 0.93 0.00 0.00 22 Q 7.99 4.09 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 23 R 7.95 4.64 0.00 1.84 1.73 0.00 3.03 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 24 I 8.48 4.97 1.83 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 1.11 0.78 0.65 0.00 0.00 25 R 8.68 4.63 0.00 1.89 1.88 0.00 3.11 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 26 Y 9.20 5.50 0.00 3.05 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 27 V 9.02 4.81 2.33 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 0.81 0.00 0.00 1.10 0.00 0.00 28 T 8.96 4.68 4.46 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 1.70 0.00 0.00 29 R 8.56 4.86 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 30 Y 9.07 4.66 0.00 2.70 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 0.00 0.00 0.00 0.00 31 I 8.64 4.36 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 1.13 0.90 0.95 0.00 0.00 32 Y 9.73 4.88 0.00 3.33 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 33 N 7.98 4.32 0.00 2.57 2.70 0.00 0.00 6.98 7.66 0.00 0.00 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 7.65 4.52 0.00 1.69 1.84 0.00 3.28 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 35 E 8.14 4.42 0.00 2.16 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 2.45 2.38 0.00 36 E 8.84 4.64 0.00 1.98 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 2.30 2.29 0.00 37 Y 8.39 4.71 0.00 3.22 3.30 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 38 L 7.19 5.17 0.00 1.91 1.32 0.92 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.73 5.30 0.00 2.08 1.74 0.00 3.09 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 40 F 9.39 4.72 0.00 2.35 2.70 0.00 0.00 0.00 0.00 0.00 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0.00 2.00 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 2.46 2.57 0.00 84A E 8.34 4.16 0.00 1.27 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 1.84 2.11 0.00 85 T 7.72 4.38 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 1.12 0.00 0.00 86 E 8.03 3.90 0.00 1.62 1.57 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 2.34 1.86 0.00 87 V 7.54 3.43 2.14 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 0.74 0.00 0.00 0.98 0.00 0.00 88 P 0.00 4.39 0.00 2.15 2.09 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 89 T 7.14 4.28 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 1.09 0.00 0.00 90 S 7.95 4.14 0.00 4.41 4.33 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 91 L 7.79 4.30 0.00 1.63 1.69 0.09 0.72 0.00 0.00 0.00 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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 0.92 0.00 0.00 117 C 9.58 4.94 0.00 2.49 2.73 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 0.00 118 S 9.18 4.95 0.00 3.81 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 0.00 119 V 8.77 4.90 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 1.01 0.00 0.00 0.88 0.00 0.00 120 T 8.78 4.91 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 1.26 0.00 0.00 121 D 8.28 4.56 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.21 5.38 0.00 3.01 3.20 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 0.00 123 Y 8.96 5.33 0.00 3.28 2.95 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 0.00 0.00 0.00 124 P 0.00 3.42 0.00 1.85 1.64 0.00 3.88 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 125 A 8.47 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.75 3.76 0.00 1.65 1.67 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 127 I 7.56 4.37 1.45 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.54 0.71 0.00 0.00 128 K 8.60 4.56 0.00 1.80 1.54 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 129 V 8.43 4.89 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 0.70 0.00 0.00 0.81 0.00 0.00 130 R 9.04 4.78 0.00 1.93 1.63 0.00 3.36 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 131 W 8.55 5.52 0.00 3.21 2.94 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 0.00 132 F 9.81 5.28 0.00 3.11 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 0.00 133 R 9.25 4.52 0.00 1.64 1.67 0.00 3.19 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.00 134 N 9.90 4.12 0.00 2.78 2.82 0.00 0.00 7.12 7.45 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 0.00 135 G 8.39 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 0.00 136 Q 7.98 4.77 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 137 E 8.86 3.72 0.00 1.31 1.70 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 2.04 1.88 0.00 138 E 8.67 4.62 0.00 1.94 1.81 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 2.26 2.38 0.00 139 T 8.18 4.56 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 1.16 0.00 0.00 140 V 8.04 3.67 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 0.78 0.00 0.00 0.92 0.00 0.00 141 G 7.74 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 0.00 0.00 0.00 142 V 7.66 5.18 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 1.04 0.00 0.00 0.96 0.00 0.00 143 S 8.90 4.89 0.00 3.91 3.90 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 0.00 144 S 8.51 5.38 0.00 3.87 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 0.00 145 T 8.56 4.27 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 1.31 0.00 0.00 146 Q 8.32 4.30 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 147 L 8.27 4.15 0.00 1.56 1.51 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.63 4.37 2.09 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 1.15 1.16 0.93 0.00 0.00 149 R 8.64 4.43 0.00 2.02 1.88 0.00 3.21 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 150 N 8.81 4.34 0.00 2.97 2.78 0.00 0.00 6.57 8.22 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 0.00 151 G 8.07 3.81 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 0.00 152 D 7.18 4.94 0.00 2.90 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 0.00 153 W 8.36 3.20 0.00 3.20 2.97 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 0.00 0.00 0.00 154 T 7.16 4.87 4.05 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 0.00 0.00 1.21 0.00 0.00 155 F 8.57 5.26 0.00 1.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 5.08 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 157 V 9.25 4.96 2.26 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 0.87 0.00 0.00 1.03 0.00 0.00 158 L 8.63 5.27 0.00 1.65 1.63 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.69 4.82 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 1.24 0.00 0.00 0.94 0.00 0.00 160 M 9.56 5.07 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 161 L 8.63 4.78 0.00 0.30 0.13 0.66 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.91 4.54 0.00 1.78 1.81 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 2.47 2.37 0.00 163 M 8.62 4.56 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.56 0.00 164 T 8.46 5.39 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 1.29 0.00 0.00 165 P 0.00 4.72 0.00 2.38 2.34 0.00 4.00 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 166 R 8.23 4.67 0.00 1.88 1.90 0.00 3.19 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 167 R 8.57 4.14 0.00 2.00 2.06 0.00 3.12 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 168 G 8.63 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.64 4.48 0.00 2.03 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 1.99 2.14 0.00 170 V 8.76 4.64 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 1.05 0.00 0.00 0.96 0.00 0.00 171 Y 9.34 5.37 0.00 3.39 3.24 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 0.00 172 T 9.70 5.35 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 173 C 9.28 4.72 0.00 2.09 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.30 5.36 0.00 3.33 3.34 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.77 4.83 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 0.83 0.00 0.00 0.80 0.00 0.00 176 E 9.08 4.92 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 177 H 8.54 5.01 0.00 3.04 3.01 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.40 0.00 1.94 2.06 0.00 2.80 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 179 S 8.03 4.42 0.00 4.10 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 0.00 180 L 7.91 4.88 0.00 1.68 1.83 0.89 0.88 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 0.00 181 K 8.79 4.12 0.00 1.71 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 182 S 7.61 4.73 0.00 3.83 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 0.00 183 P 0.00 4.49 0.00 1.81 1.88 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 184 I 8.41 4.52 1.80 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 1.26 0.60 0.87 0.00 0.00 185 T 8.33 5.10 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 1.23 0.00 0.00 186 V 8.77 4.53 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 1.08 0.00 0.00 0.95 0.00 0.00 187 E 8.86 5.50 0.00 1.94 1.93 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 2.32 2.34 0.00 188 W 9.43 5.28 0.00 3.55 3.21 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 0.00 189 R 7.53 5.13 0.00 1.42 1.60 0.00 3.22 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 190 A 8.35 3.77 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 * Residues marked with a * may have inaccurate shift predictions.