NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6466 8.3544 109.7232 45.3532 0.0000 174.4028 *3 D 4.2809 8.3569 116.9857 53.4735 42.9007 175.5356 4 F 3.9906 8.6443 119.8620 59.0753 39.2671 175.9832 5 I 3.8043 6.8037 122.2291 60.1902 37.5609 175.1460 6 F 4.4724 9.3173 128.4424 57.5359 40.1447 174.7002 7 H 4.6400 7.5111 126.6476 54.9470 32.1037 171.8331 8 E 4.1932 9.0201 129.2359 54.3213 30.1378 175.7483 9 K 4.3208 8.1747 125.6962 56.1742 33.3099 176.3430 10 Q 4.1811 8.4993 124.7554 55.6128 29.7531 174.7914 11 E 4.6149 8.9411 124.4107 54.4165 32.4157 175.6574 12 G 3.5556 8.8747 112.2810 47.0615 0.0000 173.9143 13 F 5.2080 8.7258 121.1789 56.7947 40.3710 176.3246 14 L 4.5749 7.7975 123.4444 54.7883 39.9883 178.6902 15 C 4.3536 8.1766 116.3123 61.3186 30.0827 174.7915 16 A 3.8407 8.1704 123.0220 54.8040 18.0031 179.0663 17 Q 3.8461 8.0286 117.5886 59.8638 29.1301 178.2908 18 H 4.5191 7.9872 116.8130 58.8425 28.6853 177.3682 19 C 4.1885 8.5094 120.8727 62.6806 31.4803 175.6993 20 L 3.8793 7.9010 120.4891 57.9027 41.0959 179.3836 21 N 4.5587 8.5398 116.4744 56.2453 38.2733 177.2763 22 N 4.7189 8.4482 117.6114 55.8568 38.7412 177.0448 23 L 4.0943 7.9059 121.2611 58.1905 42.3887 178.6918 24 L 3.7575 7.7043 116.4450 54.6667 42.7818 176.0877 25 Q 3.3986 7.9301 116.2926 54.6148 25.3644 172.6822 26 G 3.5103 5.7202 108.3869 45.4015 0.0000 172.1428 27 E 4.4687 7.8376 120.8964 55.5212 28.1284 176.2168 28 Y 3.9313 8.3840 119.6118 60.0261 38.8815 176.1562 29 F 5.5779 9.0692 117.0819 54.9256 40.8811 175.1905 30 S 4.9465 8.5222 117.7848 55.1973 66.3498 173.0441 31 P 4.3738 0.0000 0.0000 65.9822 30.9508 179.3642 32 V 3.7598 7.8291 117.2562 64.7457 31.5059 178.1502 33 E 4.0551 8.0537 119.4608 59.3384 29.3086 179.2497 34 L 3.8103 7.8451 118.2469 57.2886 41.7629 179.0783 35 A 4.1625 8.1718 120.8937 55.3608 18.3336 179.8979 36 S 4.3400 8.1331 113.5881 61.5269 63.0040 176.9834 37 I 3.7724 7.7546 122.2291 64.0219 36.7100 178.2253 38 A 4.0548 8.1651 121.7214 55.5571 18.2261 179.2655 39 H 4.2401 8.5229 115.0295 59.4413 28.8536 178.1130 40 Q 4.0563 8.1601 119.5365 58.8712 28.5256 179.0567 41 L 4.0477 7.8600 119.7801 57.8313 41.7314 178.9595 42 D 4.4921 8.4808 119.2118 57.5826 40.5460 178.6841 43 E 4.0388 8.3778 119.0039 58.9920 29.7126 178.0383 44 E 4.0965 7.9926 118.6554 59.3840 29.8129 178.1598 45 E 4.1182 7.9419 117.7422 58.9888 29.7957 179.8299 46 R 4.0168 7.8214 117.4207 56.2746 30.5281 176.7515 *48 R 4.0188 7.9451 113.1591 55.5893 31.7133 177.2981 *50 A 3.9551 7.8724 122.0506 51.9189 20.3523 179.5658 51 E 3.9248 8.1461 114.8278 58.8488 29.5096 178.1812 52 G 3.6919 7.9114 105.6116 45.3792 0.0000 174.1893 53 G 3.7889 8.1125 109.4623 46.2453 0.0000 174.7434 54 V 2.8187 7.9528 116.3296 61.8517 31.3486 176.4750 55 T 4.6908 7.4930 107.8426 60.5037 69.7632 174.6626 56 S 4.4387 8.0156 117.8788 58.4380 65.0971 174.8638 57 E 4.0315 8.6894 122.6079 59.7408 29.3988 179.5699 58 E 4.0320 8.1508 118.2323 59.4498 29.6866 178.6408 59 Y 4.0521 7.9966 119.3434 60.5583 38.7151 177.4058 60 L 4.0430 8.0883 118.6090 58.1119 41.9832 179.2747 61 A 4.1267 8.4590 120.7338 54.9036 18.1495 179.5252 62 F 4.0029 8.0161 119.0457 61.4032 39.3116 177.3490 63 L 3.7940 7.5844 116.9120 56.8738 41.4038 178.3789 64 Q 4.2931 7.2165 116.1891 54.9298 29.4190 175.2695 65 Q 4.4196 7.1352 120.2973 53.3445 30.3319 174.0208 66 P 4.3049 0.0000 0.0000 62.1342 32.1135 176.1939 67 S 4.0769 8.3893 114.4519 59.2072 62.5723 174.0750 68 E 4.3907 8.7010 124.6724 57.0005 30.1085 176.3756 69 N 4.7379 8.3163 116.6552 53.3397 39.2993 174.1332 *71 D 4.5638 7.5440 118.3684 53.1774 40.3869 175.3138 72 D 4.5194 8.4592 117.2144 56.1144 40.8123 177.0429 73 T 4.3233 7.9324 108.0130 61.0296 69.1786 174.9805 74 G 3.8557 8.0602 110.1250 45.5056 0.0000 174.1969 75 F 4.3948 8.2127 118.2470 57.3253 39.4835 174.7518 76 F 5.8931 8.9463 121.4797 55.0155 41.8239 175.5360 77 S 4.9116 8.5224 118.2291 57.1345 64.6959 174.9701 78 I 3.5421 8.4563 119.5991 64.0326 37.5420 177.7415 79 Q 3.9321 8.0449 118.8881 58.7112 28.5149 178.4893 80 V 3.4461 7.5368 119.4862 65.9443 31.5425 178.2132 81 I 3.1627 7.1426 119.0752 64.1816 36.8747 178.3278 82 S 3.8800 8.0112 114.2876 61.4081 61.9355 175.9173 83 N 4.3570 7.6506 117.8615 55.6626 38.5564 177.0682 84 A 3.2494 7.8302 122.7738 54.8518 18.3338 179.7315 85 L 4.0490 7.7949 117.3936 57.5469 41.7058 179.5856 86 K 4.1368 7.7935 119.3302 59.1959 31.7952 178.5788 87 F 4.2206 7.8312 117.4992 60.1406 38.8440 176.8393 88 W 4.9338 8.0712 115.0952 55.9447 29.5308 176.4500 89 G 4.0036 7.7472 105.0001 46.5270 0.0000 174.0124 90 L 5.0796 7.8270 118.6245 52.8881 43.6292 175.7414 91 E 4.8123 9.2508 119.3149 54.5178 33.4162 174.1697 92 I 4.9663 8.2037 119.9139 59.3429 40.7237 174.6133 93 I 4.8253 8.6530 128.5549 59.4964 41.4006 174.4999 94 H 4.2574 9.2960 123.6292 56.0577 29.0045 176.1315 95 F 4.0183 9.0514 126.1145 61.3735 39.3870 175.5864 96 N 4.6351 8.1542 115.3806 52.8539 38.9311 173.7659 97 N 4.2018 8.3575 118.7626 53.8932 39.6799 173.5769 98 P 4.2778 0.0000 0.0000 65.5229 31.2895 178.2941 99 E 3.9435 8.1694 117.2369 59.3013 30.0485 177.7505 100 Y 4.2399 8.2340 119.3355 60.8407 38.7818 177.9475 101 Q 3.6984 8.1535 118.7089 58.3646 28.5005 178.4788 102 K 4.0880 7.4400 118.2358 58.1265 31.0652 178.7489 103 L 4.0996 7.7232 119.1582 55.2253 41.1312 177.9129 104 G 3.8473 7.4105 106.1376 46.1261 0.0000 173.6832 105 I 3.7354 6.7456 118.9063 60.4319 37.5739 175.8052 106 D 4.4658 8.7592 125.3489 53.7350 41.6768 175.1554 107 P 4.8119 0.0000 0.0000 65.5705 31.5706 177.8192 108 I 4.4578 7.7254 108.2237 62.1247 37.6625 176.0302 109 N 4.8985 8.5292 118.3015 53.3318 39.0297 174.7360 110 E 4.4522 8.1817 118.2711 56.4637 30.4620 176.3979 111 R 4.4204 8.1837 117.1631 57.1540 32.6429 176.5288 112 S 5.3031 7.4949 110.9840 57.3988 66.0919 173.8843 113 F 5.2582 9.6740 120.3438 55.8785 42.9540 173.9186 114 I 4.9833 8.9987 122.7457 59.9010 39.8320 174.6436 115 C 5.3464 8.7777 123.4899 58.0710 32.1667 173.0944 116 N 5.5948 9.0878 119.3712 52.1445 40.5312 172.7845 117 Y 4.7923 8.6875 126.7509 56.8512 41.8553 175.4876 118 K 3.3242 8.5459 125.1292 58.5818 30.0844 175.2629 119 Q 3.1187 7.6707 112.9208 56.3564 26.7234 174.9198 120 H 4.4659 7.7600 115.6229 54.6183 33.5428 171.7704 121 W 5.3707 8.4443 127.6508 56.3395 29.8431 175.5649 122 F 5.2957 9.0831 118.8157 55.7584 41.8165 173.2666 123 T 5.1942 8.8609 114.7714 61.8724 72.0839 173.2359 124 I 5.2701 9.0868 125.9876 59.7230 40.4968 174.6183 125 R 5.0744 9.2920 126.6183 54.4155 33.9089 173.3806 126 K 4.2831 7.9944 126.4964 54.5584 33.5178 175.5334 127 F 4.7562 9.0322 126.3542 56.3311 42.5541 176.4311 128 G 4.0940 9.6059 115.3767 46.3886 0.0000 173.8669 129 K 4.5540 9.0633 113.0368 55.8198 34.8089 175.4124 130 H 4.9550 8.4403 116.3332 53.7235 31.9835 172.6390 131 W 5.1187 8.5792 123.1296 55.9879 31.1366 175.2813 132 F 5.3900 9.5150 121.6919 55.6351 42.9740 173.6180 133 N 4.9309 9.3675 122.9123 53.8037 39.5908 174.8969 134 L 4.9644 9.1553 125.7065 54.3279 43.2012 175.9743 135 N 4.4486 8.6977 118.9531 54.1726 39.3798 175.8915 136 S 4.4082 9.2433 120.2241 60.6026 63.4737 175.3070 137 L 4.2987 8.8686 120.2673 55.3748 41.5163 176.6033 138 L 4.6118 7.4531 118.5882 52.8221 43.4410 176.6869 139 A 4.0626 8.6010 123.7195 55.2973 18.5149 177.4989 140 G 3.7769 7.4129 101.5378 44.0204 0.0000 170.6747 141 P 4.6190 0.0000 0.0000 63.2985 32.0153 176.1611 142 E 4.8218 8.9041 122.4721 54.0210 32.5777 175.3460 143 L 3.9109 8.8564 126.6316 55.4958 42.9781 175.9448 144 I 4.4702 8.1371 126.3767 59.2120 39.3800 175.8223 145 S 4.0253 8.8554 122.4376 59.1622 63.0133 175.3545 146 D 4.5011 8.9473 124.5001 56.8455 41.3725 177.4072 147 T 4.1274 7.7963 107.6679 62.6028 69.7706 176.2642 148 C 4.2103 7.7981 119.5089 62.2066 28.5250 175.0031 149 L 3.9831 7.8874 121.9808 57.8091 41.5040 178.4062 150 A 4.0101 7.4788 120.4055 55.4282 18.0790 178.7167 151 N 4.7355 7.7366 111.3731 53.6538 38.9313 176.2091 152 F 4.6141 7.6902 125.0434 59.6281 40.5911 176.8093 153 L 3.6643 7.9309 115.2832 55.3875 41.8753 177.8329 154 A 4.4239 7.5168 121.3058 54.0628 19.9503 179.4128 155 R 3.9892 7.5743 115.9045 58.7026 30.2106 178.2720 156 L 3.8564 7.4741 119.3877 56.8631 41.7846 178.4774 157 Q 4.4972 7.4302 116.9781 57.6549 28.5594 176.6898 158 Q 4.6300 7.5056 117.8152 55.1876 29.4808 175.1541 159 Q 4.1413 7.3572 115.0137 54.3891 32.5516 174.5256 160 A 4.3926 7.9403 122.8553 52.1669 19.0002 177.2656 161 Y 4.5184 6.7934 115.4773 60.2171 38.4677 177.3322 162 S 4.4495 8.5478 118.6743 57.0629 62.8047 171.6503 163 V 4.5603 7.6260 122.8966 60.6522 34.3842 173.6122 164 F 5.5899 9.7385 126.6405 55.6857 42.3908 174.6270 165 V 4.4044 9.0126 123.1861 60.5458 33.6096 174.9844 166 V 4.7083 7.8114 123.6382 61.4857 32.6150 174.9194 167 K 4.5437 8.8832 128.2215 55.5046 34.6723 175.6246 168 G 4.2461 8.8407 109.3781 43.8796 0.0000 173.2844 169 D 4.5062 8.4614 120.2036 53.2826 41.0948 177.0403 170 L 4.0961 8.2553 124.4448 53.9105 42.3208 175.4829 171 P 4.4360 0.0000 0.0000 62.0634 31.9558 176.3643 172 D 4.5259 8.3474 120.4615 55.4991 41.4695 176.2323 173 C 4.7350 8.0663 115.1515 56.1328 33.5988 175.0351 174 E 3.9901 8.7913 120.4167 59.4793 29.1704 179.3772 175 A 3.9352 8.0818 120.1963 55.4545 17.9933 179.1167 176 D 4.3894 8.2794 116.8217 57.7920 40.7012 178.8390 177 Q 4.0414 7.9373 118.8386 58.6129 29.0731 177.5839 178 L 3.9344 7.8076 121.2976 57.5579 42.2196 177.9998 179 L 4.4087 7.4203 115.5076 53.6642 42.3158 176.9041 180 Q 4.2017 7.1352 117.1961 56.2289 29.4751 175.9558 181 I 4.0147 8.3615 120.7192 62.5386 38.4684 175.9463 182 I 3.5478 7.7115 123.6331 61.7137 36.5842 173.2407 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 3.65 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 0.00 0.00 0.00 *3 D 8.36 4.28 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 3.99 0.00 2.93 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 5 I 6.80 3.80 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 -0.15 0.53 0.00 0.00 6 F 9.32 4.47 0.00 2.98 3.14 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 0.00 7 H 7.51 4.64 0.00 3.00 3.00 0.00 5.96 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 8 E 9.02 4.19 0.00 1.99 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 2.27 2.27 0.00 9 K 8.17 4.32 0.00 1.60 1.68 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 Q 8.50 4.18 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 11 E 8.94 4.61 0.00 2.06 2.04 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 2.39 2.33 0.00 12 G 8.87 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 5.21 0.00 3.17 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 14 L 7.80 4.57 0.00 1.61 1.69 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.18 4.35 0.00 3.31 3.42 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 16 A 8.17 3.84 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 17 Q 8.03 3.85 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 18 H 7.99 4.52 0.00 3.36 3.38 0.00 5.68 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 19 C 8.51 4.19 0.00 3.29 3.18 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 20 L 7.90 3.88 0.00 1.56 1.50 0.07 0.17 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 21 N 8.54 4.56 0.00 3.03 3.26 0.00 0.00 7.04 6.46 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 22 N 8.45 4.72 0.00 2.95 3.08 0.00 0.00 6.97 8.14 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 23 L 7.91 4.09 0.00 1.61 1.90 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.70 3.76 0.00 1.00 0.34 0.60 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.93 3.40 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 26 G 5.72 3.51 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 0.00 27 E 7.84 4.47 0.00 1.97 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 2.74 2.56 0.00 28 Y 8.38 3.93 0.00 3.04 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 29 F 9.07 5.58 0.00 3.14 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 30 S 8.52 4.95 0.00 4.01 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 31 P 0.00 4.37 0.00 2.26 2.28 0.00 3.67 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 32 V 7.83 3.76 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 0.88 0.00 0.00 0.99 0.00 0.00 33 E 8.05 4.06 0.00 2.30 2.27 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 2.57 2.45 0.00 34 L 7.85 3.81 0.00 1.20 0.47 0.52 0.11 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 35 A 8.17 4.16 1.45 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 0.00 0.00 0.00 36 S 8.13 4.34 0.00 4.17 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 37 I 7.75 3.77 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.79 0.00 0.00 38 A 8.17 4.05 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 0.00 0.00 0.00 0.00 0.00 39 H 8.52 4.24 0.00 3.19 3.39 0.00 5.63 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 40 Q 8.16 4.06 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.85 0.00 41 L 7.86 4.05 0.00 1.95 1.76 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.48 4.49 0.00 2.94 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 43 E 8.38 4.04 0.00 2.00 2.25 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 2.37 2.41 0.00 44 E 7.99 4.10 0.00 2.26 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 2.35 2.35 0.00 45 E 7.94 4.12 0.00 2.11 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 0.00 2.34 2.32 0.00 46 R 7.82 4.02 0.00 2.20 2.19 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 2.30 2.41 0.00 108 I 7.73 4.46 2.20 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.96 0.00 0.00 109 N 8.53 4.90 0.00 2.92 2.97 0.00 0.00 6.97 7.29 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 0.00 110 E 8.18 4.45 0.00 2.33 1.79 0.00 0.00 0.00 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 2.71 0.00 111 R 8.18 4.42 0.00 1.65 1.78 0.00 3.12 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 112 S 7.49 5.30 0.00 3.86 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 0.00 113 F 9.67 5.26 0.00 3.00 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 0.00 114 I 9.00 4.98 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 1.04 0.00 0.00 115 C 8.78 5.35 0.00 1.23 2.40 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 0.00 116 N 9.09 5.59 0.00 2.09 2.60 0.00 0.00 6.86 8.40 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 0.00 117 Y 8.69 4.79 0.00 2.96 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 0.00 118 K 8.55 3.32 0.00 1.49 1.55 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 0.21 7.81 119 Q 7.67 3.12 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 120 H 7.76 4.47 0.00 3.13 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 W 8.44 5.37 0.00 3.19 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 0.00 122 F 9.08 5.30 0.00 3.20 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 0.00 123 T 8.86 5.19 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 1.32 0.00 0.00 124 I 9.09 5.27 2.15 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 1.35 0.93 1.26 0.00 0.00 125 R 9.29 5.07 0.00 1.88 1.47 0.00 3.00 0.00 0.00 2.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.35 0.00 126 K 7.99 4.28 0.00 0.79 0.91 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.52 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.94 0.71 7.81 127 F 9.03 4.76 0.00 3.27 2.89 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 0.00 128 G 9.61 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 0.00 129 K 9.06 4.55 0.00 1.44 1.66 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.37 7.81 130 H 8.44 4.96 0.00 3.35 3.00 0.00 5.60 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 0.00 131 W 8.58 5.12 0.00 3.34 3.17 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 0.00 132 F 9.51 5.39 0.00 3.34 3.12 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 0.00 0.00 0.00 0.00 133 N 9.37 4.93 0.00 2.98 2.82 0.00 0.00 6.78 6.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 9.16 4.96 0.00 1.92 1.90 1.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.70 4.45 0.00 2.95 2.75 0.00 0.00 6.94 7.33 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 0.00 136 S 9.24 4.41 0.00 4.14 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 0.00 137 L 8.87 4.30 0.00 1.65 1.71 0.60 0.92 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 0.00 138 L 7.45 4.61 0.00 1.77 1.66 1.01 0.61 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 0.00 139 A 8.60 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.41 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 0.00 0.00 0.00 141 P 0.00 4.62 0.00 1.89 2.02 0.00 3.50 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 142 E 8.90 4.82 0.00 1.93 1.85 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 2.24 2.47 0.00 143 L 8.86 3.91 0.00 1.51 1.50 0.32 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.14 4.47 1.98 0.00 0.00 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 1.23 1.02 0.85 0.00 0.00 145 S 8.86 4.03 0.00 3.90 3.84 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 0.00 146 D 8.95 4.50 0.00 2.85 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 0.00 147 T 7.80 4.13 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 0.00 148 C 7.80 4.21 0.00 3.08 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 0.00 149 L 7.89 3.98 0.00 1.55 1.45 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.48 4.01 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 0.00 151 N 7.74 4.74 0.00 2.77 2.85 0.00 0.00 6.96 8.75 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 0.00 152 F 7.69 4.61 0.00 2.96 3.09 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 0.00 153 L 7.93 3.66 0.00 1.51 1.49 0.25 -0.02 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 0.00 154 A 7.52 4.42 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.57 3.99 0.00 1.69 1.91 0.00 3.26 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 156 L 7.47 3.86 0.00 0.92 1.10 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.43 4.50 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.11 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 158 Q 7.51 4.63 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 159 Q 7.36 4.14 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 160 A 7.94 4.39 1.20 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 0.00 0.00 161 Y 6.79 4.52 0.00 2.98 2.87 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 0.00 162 S 8.55 4.45 0.00 4.10 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 0.00 163 V 7.63 4.56 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 0.81 0.00 0.00 0.93 0.00 0.00 164 F 9.74 5.59 0.00 3.19 2.91 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 0.00 165 V 9.01 4.40 2.22 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 0.18 0.00 0.00 0.71 0.00 0.00 166 V 7.81 4.71 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 0.77 0.00 0.00 0.89 0.00 0.00 167 K 8.88 4.54 0.00 1.67 1.68 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.51 7.81 168 G 8.84 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 0.00 0.00 0.00 169 D 8.46 4.51 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.10 0.00 1.54 1.47 0.78 1.00 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 0.00 171 P 0.00 4.44 0.00 1.88 1.81 0.00 3.42 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 172 D 8.35 4.53 0.00 2.66 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 0.00 173 C 8.07 4.73 0.00 3.14 2.99 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 0.00 174 E 8.79 3.99 0.00 2.16 2.31 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 2.47 2.40 0.00 175 A 8.08 3.94 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 0.00 176 D 8.28 4.39 0.00 2.86 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 0.00 177 Q 7.94 4.04 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 178 L 7.81 3.93 0.00 1.27 1.63 0.50 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.42 4.41 0.00 1.70 1.69 1.04 0.90 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 0.00 180 Q 7.14 4.20 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 181 I 8.36 4.01 1.87 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 1.41 0.87 0.91 0.00 0.00 182 I 7.71 3.55 1.87 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 1.27 0.33 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.