NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1703 8.2493 123.5826 52.2106 20.0698 175.6389 *2 T 4.2293 7.8624 108.8582 61.7405 70.6563 172.4509 3 I 5.0458 8.2258 122.8061 59.6237 39.7395 175.0242 4 R 4.6639 8.8075 122.0805 54.0603 33.6694 174.2281 5 F 4.7899 8.6234 118.0731 57.5031 39.3580 175.6711 6 A 4.6546 9.3939 125.8114 52.0265 19.5576 175.9871 7 D 5.4299 8.9815 117.8555 49.4315 42.9893 176.6348 8 K 3.4461 8.5559 116.9165 59.7605 31.5621 178.9974 9 A 4.1030 7.6715 119.1870 54.2912 18.5785 178.4523 10 D 4.5256 8.0077 116.5627 55.7191 41.0888 178.2243 11 C 4.1200 8.0353 117.9591 62.1823 28.0377 175.6247 12 A 4.0209 8.2114 123.4237 54.4808 18.0429 179.3375 13 A 3.9500 7.9072 118.6914 55.4468 18.6041 179.5486 14 I 3.6629 7.8463 118.3508 64.9511 37.2345 178.7030 15 T 3.8260 8.0796 116.5536 66.5952 68.2838 176.1994 16 E 3.9868 8.1960 121.1392 59.3255 29.7699 179.0360 17 I 3.7585 7.9570 119.7752 64.5005 37.1969 177.5824 18 Y 4.0210 8.6289 120.7191 61.0346 38.5353 178.0571 19 N 4.1584 8.5714 117.5244 56.3360 38.5972 176.7360 20 H 4.0431 8.2650 119.4274 59.3085 30.0202 176.9987 21 A 3.8471 7.6844 122.0269 55.1006 17.9085 179.6236 22 V 3.1784 7.2228 115.6396 66.2109 31.6009 178.0173 23 L 4.0819 7.7625 117.3661 56.9359 41.5509 177.4892 24 H 4.9144 7.9583 112.5259 55.3628 30.3024 173.7622 25 T 4.6593 7.7820 108.3803 59.9453 71.4692 173.7655 26 A 4.2241 8.6483 125.0959 52.6345 19.0268 178.3401 27 A 3.8434 7.3270 119.9386 53.8371 18.7299 178.0305 28 I 4.3529 7.1839 114.9852 59.2836 39.5534 174.7717 29 W 4.8828 8.6837 126.4849 56.8769 29.3202 175.6821 30 N 5.1993 7.9198 114.5188 51.7312 41.4650 173.8435 31 D 4.6888 8.5536 118.0517 52.6911 40.4425 175.0061 32 R 4.5559 7.8049 118.6459 54.5744 32.0117 176.1395 33 T 4.2364 8.3757 113.1662 61.7845 69.4699 173.5964 34 V 4.5221 8.9492 116.2415 59.6549 35.0875 174.7895 35 D 4.8458 8.1055 120.4427 52.1066 41.4860 177.6193 36 T 4.1969 8.3053 117.0084 66.3949 68.1886 176.3345 37 D 4.4868 8.1636 120.2136 57.3887 40.7125 178.3473 38 N 4.2855 8.4287 117.3847 56.9335 39.0332 177.2807 39 R 3.9172 7.6416 118.6011 58.8614 29.9801 178.8446 40 L 4.0321 8.5406 119.1810 57.9262 41.6271 179.4131 41 A 4.0153 8.2777 120.5482 54.9320 18.4794 179.2374 42 W 4.1503 8.5386 127.1665 60.9237 30.7357 177.4710 43 Y 3.7355 8.8262 119.6135 60.8141 38.2671 177.9762 44 E 3.7472 8.6159 119.4491 59.1536 29.3736 179.2045 45 A 3.8893 8.1403 121.1472 55.0273 18.4059 179.9809 46 R 3.6991 7.3979 116.1383 59.4177 30.0847 179.2465 47 Q 3.7073 7.6718 117.9557 58.7333 28.3459 178.7359 48 L 3.8513 7.4162 120.5964 57.7341 42.2049 178.2424 49 L 3.9403 6.9925 115.0053 54.1287 41.6280 177.3541 50 G 3.8110 7.2764 106.7645 46.4503 0.0000 173.1171 51 Y 4.8950 7.3847 116.5869 55.7347 39.3839 173.8999 52 P 4.5885 0.0000 0.0000 62.6423 33.5072 175.0360 53 V 4.7047 8.5536 121.8706 61.3592 34.1608 173.9934 54 L 5.2940 9.4678 128.0244 53.1473 44.9519 175.9916 55 V 5.1726 8.7385 114.5956 59.6225 35.7852 175.1551 56 S 5.0323 8.7434 118.3429 57.8076 64.9207 172.6752 57 E 5.1283 8.9773 122.3089 54.6898 33.0368 174.6192 58 E 4.4555 8.9469 126.2579 55.7702 32.3711 174.8204 59 N 4.2735 9.9490 124.3965 54.4152 36.1849 175.5089 60 G 3.9210 8.4939 105.0765 45.3468 0.0000 174.1248 61 V 4.0528 7.5080 120.6075 61.0093 32.6018 175.0349 62 V 4.1746 8.3726 127.5121 63.2649 31.6487 175.3030 63 T 4.3705 8.5282 117.3813 61.1871 70.4660 174.0275 64 G 4.4649 7.5643 108.7222 46.4400 0.0000 171.6803 65 Y 5.7231 8.2524 117.6484 55.5627 42.3218 173.8525 66 A 5.3279 9.3179 120.9742 51.0439 23.1779 175.2681 67 S 5.2350 9.8773 115.6467 57.3633 66.7777 172.4530 68 F 5.5913 8.1636 116.5191 55.4366 41.2338 173.9001 69 G 4.5619 8.9809 106.0528 44.8466 0.0000 171.3216 70 D 4.9760 9.1127 119.4007 54.0613 41.5018 176.6583 71 W 4.5630 8.8748 134.0291 60.1151 30.9081 176.2483 72 R 4.4708 7.6144 113.6189 54.5893 33.8153 175.2776 73 S 4.6572 8.1686 115.5573 57.8749 62.5952 174.8081 74 F 4.9686 7.7642 118.3193 55.5969 43.1813 176.4551 75 D 4.5029 9.0943 124.2771 57.3906 40.8266 178.9267 76 G 3.4793 8.1086 106.4824 47.5014 0.0000 173.8559 77 F 4.9823 8.1939 118.7258 57.3032 39.0214 177.7102 78 R 4.1088 7.8770 118.5375 58.4753 29.3840 176.6247 79 Y 4.6399 8.1873 115.6800 58.1261 39.5784 174.6784 80 T 5.1808 8.5512 117.9127 61.8553 71.4889 173.6804 81 V 5.0409 8.4354 118.3929 59.4716 35.7506 174.5632 82 E 5.5518 9.4328 122.9521 53.8297 32.6690 175.0498 83 H 5.6409 8.8619 122.0131 54.7557 31.1846 174.3263 84 S 4.9949 9.6175 113.4750 56.7820 65.9103 173.1784 85 V 4.6329 8.1085 123.7087 61.1857 34.0475 173.9611 86 Y 4.4913 8.2679 124.6257 56.0638 42.3547 174.2901 87 V 4.6173 8.2746 122.2564 60.8552 34.1837 174.6885 88 H 4.3060 9.1633 128.2672 55.8069 30.1587 174.4249 89 P 4.0528 0.0000 0.0000 65.5168 31.0014 176.7612 90 A 4.3797 8.1761 119.0915 52.8506 18.8400 176.7243 91 H 4.9103 8.2864 113.1182 55.4760 28.7753 174.0699 92 Q 4.1914 8.0846 118.4459 56.4491 29.4140 176.5353 93 G 3.8286 8.6649 105.7328 46.6303 0.0000 174.3610 94 K 4.3441 7.5131 113.8601 55.3112 32.7025 176.8607 95 G 3.9561 8.1401 106.4642 46.7615 0.0000 176.1856 96 L 4.0665 7.9646 122.1870 57.2754 41.5348 179.0986 97 G 3.6890 8.1025 105.3178 47.9330 0.0000 175.3640 98 R 3.8127 7.8363 120.6514 58.9770 30.2427 178.4365 99 K 3.9179 7.7929 117.6980 59.4785 32.0261 179.2811 100 L 3.9498 8.1754 119.4378 57.7489 41.5144 179.3828 101 L 3.8826 8.0267 120.3396 58.0465 41.9253 178.7042 102 S 4.0879 8.4189 113.5558 61.6522 62.3055 176.2756 103 R 3.9107 8.0272 121.1953 59.3013 29.7185 178.2139 104 L 4.1178 8.1691 120.3766 58.0219 42.0825 178.9459 105 I 3.7296 8.0944 120.0330 64.5311 37.0136 177.8674 106 D 4.4325 7.9182 119.2835 57.7430 40.6419 178.9945 107 E 4.1105 8.4289 118.6252 59.3374 29.4350 179.3036 108 A 4.0244 8.5597 121.1437 55.1204 18.3038 179.9079 109 R 3.8583 8.1001 116.5700 59.6070 29.9718 179.4734 110 R 4.0050 8.1054 116.6647 59.4016 30.1598 178.1426 111 C 4.5813 8.2664 113.8517 59.7681 28.2753 174.5198 112 G 4.0324 8.1555 109.0079 45.7081 0.0000 174.3676 113 K 4.2876 7.8213 118.7486 56.6104 32.8453 176.4417 114 H 4.7322 9.4221 122.1845 58.2289 31.5350 174.2793 115 V 4.4255 6.9947 116.3105 60.7527 35.0488 173.7343 *117 V 4.1383 8.3482 116.8702 62.9100 32.9863 175.5331 118 A 4.7601 8.5005 128.4748 50.2183 21.2388 175.1108 119 G 4.2306 9.3241 111.5886 45.2228 0.0000 172.9342 120 I 4.7873 8.8159 128.4850 58.5775 40.0455 175.2982 121 E 4.6427 8.7168 127.8827 56.5323 29.8741 178.0168 122 S 4.1913 9.1084 123.5921 61.5199 63.0681 175.3887 123 Q 4.2181 8.0777 116.8428 56.9604 29.3186 177.0329 124 N 4.6343 8.1673 118.8521 52.2012 35.4762 174.6078 125 A 4.0050 7.9454 126.0939 54.7844 18.9054 179.0261 126 A 3.8986 7.9361 118.7885 55.5420 18.4578 179.7031 127 S 4.0101 8.4293 111.5342 61.4145 62.4464 176.1840 128 I 3.6239 7.8187 122.5794 64.4096 36.8012 178.3080 129 R 3.9105 8.2045 119.4870 59.3197 29.7932 177.9926 130 L 3.8928 7.9818 120.1490 58.7297 42.0007 178.7792 131 H 3.8618 8.3707 116.0092 59.0875 28.5827 177.3981 132 H 4.4634 8.3950 118.3197 59.1341 28.3591 177.9940 133 S 4.3167 8.3758 114.8274 60.4655 62.8214 175.4659 134 L 4.6893 7.5163 120.8289 54.2073 41.7936 177.0590 135 G 3.9798 8.0431 107.0095 45.1037 0.0000 174.1912 136 F 4.5852 8.1524 117.8485 57.4972 39.8146 175.0578 137 T 4.7477 8.5696 118.0414 61.4938 71.3015 174.2303 138 V 4.0958 8.6349 126.5152 63.3110 31.8137 175.6055 139 T 4.6038 9.1464 116.5051 61.1295 70.1328 173.5544 140 A 4.7682 7.6135 124.1365 51.3587 22.1865 174.8768 141 Q 5.0529 8.4139 119.9776 52.8558 32.4413 172.4192 *143 P 4.2966 0.0000 0.0000 63.8823 32.2646 176.5772 144 Q 3.9687 9.2269 120.0395 57.2121 26.6210 175.2532 145 V 3.8008 7.3327 111.9234 62.4149 32.2328 176.2506 146 G 4.5025 8.2191 108.2246 43.6129 0.0000 172.0358 147 V 5.0451 8.0327 111.0368 59.7512 35.7319 175.1286 148 K 4.0710 8.8793 121.3151 56.6116 35.1514 175.1166 149 F 4.0041 9.0540 120.3109 58.6643 36.3563 176.5602 150 G 3.8661 8.4786 106.3635 45.4468 0.0000 174.0679 151 R 4.4989 7.7115 115.5684 53.1874 32.2695 175.0602 152 W 5.0872 8.1810 119.0408 57.1674 30.0617 175.5255 153 L 5.0615 9.5109 122.8388 53.2529 45.1469 175.5020 154 D 5.2521 8.8230 121.6931 53.0197 43.4855 174.8866 155 L 5.2436 8.3612 122.4567 53.6569 45.3827 174.8658 156 T 4.7645 9.0969 122.7900 62.0893 71.0934 174.4651 157 F 5.6385 8.7604 125.8743 55.4128 41.9208 174.8036 *159 Q 4.3743 8.2979 116.1201 56.2147 29.3822 173.8770 160 L 4.3703 7.5588 119.8172 52.8369 44.1035 175.2989 161 Q 4.0774 8.3845 127.6720 55.8332 29.5353 175.4209 162 L 4.2758 8.4535 125.0971 55.3688 42.3976 175.5427 163 D 4.5471 7.3568 116.1224 52.9562 41.7343 174.4759 164 E 4.6400 8.3065 116.0528 56.1079 30.0254 176.2489 165 H 4.2010 8.4946 116.7499 56.0529 29.1251 175.7281 166 A 4.0620 8.7241 127.1654 54.8537 18.5044 177.0887 167 A 4.5911 7.3640 115.4587 49.6032 22.3606 174.0795 168 P 3.9264 0.0000 0.0000 63.0187 31.0898 176.4084 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 0 A 8.25 4.17 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 *2 T 7.86 4.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 I 8.23 5.05 1.82 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 1.38 0.66 0.83 0.00 0.00 4 R 8.81 4.66 0.00 1.86 1.98 0.00 2.82 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 5 F 8.62 4.79 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.39 4.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.98 5.43 0.00 2.84 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 8 K 8.56 3.45 0.00 1.76 1.85 0.00 1.95 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.61 7.81 9 A 7.67 4.10 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 10 D 8.01 4.53 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.04 4.12 0.00 3.00 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 12 A 8.21 4.02 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 13 A 7.91 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.85 3.66 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.12 0.00 0.00 15 T 8.08 3.83 4.43 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 1.23 0.00 0.00 16 E 8.20 3.99 0.00 2.10 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 2.31 2.38 0.00 17 I 7.96 3.76 2.38 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 1.13 0.00 0.00 18 Y 8.63 4.02 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.57 4.16 0.00 2.85 2.84 0.00 0.00 6.73 8.42 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 20 H 8.27 4.04 0.00 3.20 3.47 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.68 3.85 0.98 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 22 V 7.22 3.18 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 0.69 0.00 0.00 0.02 0.00 0.00 23 L 7.76 4.08 0.00 1.26 1.24 0.86 1.22 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 24 H 7.96 4.91 0.00 2.97 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.78 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 A 8.65 4.22 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 27 A 7.33 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.18 4.35 1.43 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.59 0.00 0.00 29 W 8.68 4.88 0.00 3.35 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 30 N 7.92 5.20 0.00 2.65 2.69 0.00 0.00 6.87 8.06 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 31 D 8.55 4.69 0.00 2.51 2.44 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 32 R 7.80 4.56 0.00 1.81 1.88 0.00 3.22 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 33 T 8.38 4.24 4.32 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 1.16 0.00 0.00 34 V 8.95 4.52 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 0.85 0.00 0.00 0.94 0.00 0.00 35 D 8.11 4.85 0.00 2.89 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 36 T 8.31 4.20 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 1.18 0.00 0.00 37 D 8.16 4.49 0.00 2.84 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 38 N 8.43 4.29 0.00 2.84 3.00 0.00 0.00 7.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.64 3.92 0.00 1.81 1.86 0.00 2.30 0.00 0.00 2.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 40 L 8.54 4.03 0.00 1.91 1.78 0.92 0.77 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 41 A 8.28 4.02 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 42 W 8.54 4.15 0.00 3.36 3.38 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 43 Y 8.83 3.74 0.00 3.19 3.27 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 44 E 8.62 3.75 0.00 2.15 1.94 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 2.73 2.54 0.00 45 A 8.14 3.89 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 46 R 7.40 3.70 0.00 1.50 1.64 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.00 47 Q 7.67 3.71 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 48 L 7.42 3.85 0.00 1.68 1.64 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 L 6.99 3.94 0.00 1.02 0.20 0.73 0.65 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 50 G 7.28 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 51 Y 7.38 4.90 0.00 2.64 2.43 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 52 P 0.00 4.59 0.00 2.19 2.38 0.00 2.20 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 53 V 8.55 4.70 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 1.20 0.00 0.00 0.65 0.00 0.00 54 L 9.47 5.29 0.00 1.61 1.48 0.88 0.07 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 55 V 8.74 5.17 2.16 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 0.88 0.00 0.00 0.98 0.00 0.00 56 S 8.74 5.03 0.00 3.91 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 57 E 8.98 5.13 0.00 1.93 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 2.21 2.38 0.00 58 E 8.95 4.46 0.00 1.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 59 N 9.95 4.27 0.00 2.89 2.87 0.00 0.00 7.26 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 60 G 8.49 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.51 4.05 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 0.86 0.00 0.00 0.98 0.00 0.00 62 V 8.37 4.17 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 0.97 0.00 0.00 0.95 0.00 0.00 63 T 8.53 4.37 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 0.86 0.00 0.00 64 G 7.56 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 0.00 0.00 0.00 0.00 65 Y 8.25 5.72 0.00 3.28 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 66 A 9.32 5.33 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 67 S 9.88 5.24 0.00 4.20 4.13 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 0.00 0.00 0.00 68 F 8.16 5.59 0.00 3.08 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 69 G 8.98 4.56 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 70 D 9.11 4.98 0.00 2.86 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 71 W 8.87 4.56 0.00 3.15 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.61 4.47 0.00 1.25 1.49 0.00 2.33 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 73 S 8.17 4.66 0.00 3.49 3.59 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 74 F 7.76 4.97 0.00 3.35 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 75 D 9.09 4.50 0.00 2.75 2.76 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 0.00 0.00 0.00 76 G 8.11 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.19 4.98 0.00 3.50 3.34 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 78 R 7.88 4.11 0.00 1.80 2.20 0.00 2.92 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.25 0.00 79 Y 8.19 4.64 0.00 3.02 3.13 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 0.00 0.00 0.00 80 T 8.55 5.18 4.73 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 1.01 0.00 0.00 81 V 8.44 5.04 1.84 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 0.29 0.00 0.00 0.20 0.00 0.00 82 E 9.43 5.55 0.00 2.24 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 2.40 2.37 0.00 83 H 8.86 5.64 0.00 3.44 3.51 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 9.62 4.99 0.00 4.40 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 93 G 8.66 3.83 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 0.00 0.00 0.00 94 K 7.51 4.34 0.00 1.71 1.82 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.51 7.81 95 G 8.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.96 4.07 0.00 1.69 1.71 0.99 0.86 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 97 G 8.10 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 98 R 7.84 3.81 0.00 1.85 2.03 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 99 K 7.79 3.92 0.00 1.96 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 100 L 8.18 3.95 0.00 1.69 1.69 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.03 3.88 0.00 1.68 1.75 0.83 0.49 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 0.00 102 S 8.42 4.09 0.00 3.97 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 0.00 103 R 8.03 3.91 0.00 1.96 2.03 0.00 3.17 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 104 L 8.17 4.12 0.00 2.02 1.90 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.09 3.73 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.89 0.00 0.00 106 D 7.92 4.43 0.00 2.92 2.78 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 0.00 107 E 8.43 4.11 0.00 2.40 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 0.00 2.64 2.55 0.00 108 A 8.56 4.02 1.13 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 0.00 0.00 0.00 0.00 0.00 109 R 8.10 3.86 0.00 2.08 2.01 0.00 3.13 0.00 0.00 3.15 7.55 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127 S 8.43 4.01 0.00 3.93 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 0.00 128 I 7.82 3.62 2.01 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 1.39 0.53 0.94 0.00 0.00 129 R 8.20 3.91 0.00 1.95 2.09 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 130 L 7.98 3.89 0.00 1.80 1.81 0.86 0.80 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 0.00 131 H 8.37 3.86 0.00 3.16 3.04 0.00 5.88 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 0.00 132 H 8.40 4.46 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.38 4.32 0.00 4.03 4.13 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 0.00 0.00 0.00 134 L 7.52 4.69 0.00 1.82 1.90 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.04 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 0.00 136 F 8.15 4.59 0.00 2.95 3.01 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 0.00 137 T 8.57 4.75 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 1.24 0.00 0.00 138 V 8.63 4.10 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 0.84 0.00 0.00 0.97 0.00 0.00 139 T 9.15 4.60 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 1.21 0.00 0.00 140 A 7.61 4.77 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 0.00 141 Q 8.41 5.05 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 *143 P 0.00 4.30 0.00 2.22 2.19 0.00 3.87 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 144 Q 9.23 3.97 0.00 1.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 145 V 7.33 3.80 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 0.62 0.00 0.00 0.72 0.00 0.00 146 G 8.22 4.50 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 0.00 0.00 0.00 147 V 8.03 5.05 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 0.82 0.00 0.00 0.96 0.00 0.00 148 K 8.88 4.07 0.00 1.52 1.24 0.00 1.40 0.00 0.00 1.10 0.00 0.00 2.21 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.68 7.81 149 F 9.05 4.00 0.00 3.23 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 0.00 150 G 8.48 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 0.00 0.00 0.00 151 R 7.71 4.50 0.00 1.97 1.98 0.00 2.83 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 152 W 8.18 5.09 0.00 3.25 3.13 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 0.00 0.00 0.00 153 L 9.51 5.06 0.00 1.90 1.79 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.82 5.25 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 5.24 0.00 1.34 1.19 -0.00 -0.45 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 0.00 156 T 9.10 4.76 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 1.30 0.00 0.00 157 F 8.76 5.64 0.00 3.06 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 *159 Q 8.30 4.37 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 160 L 7.56 4.37 0.00 0.27 0.37 0.61 0.11 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 0.00 161 Q 8.38 4.08 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 162 L 8.45 4.28 0.00 1.65 1.60 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 163 D 7.36 4.55 0.00 2.46 2.47 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 0.00 164 E 8.31 4.64 0.00 1.94 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 2.17 2.25 0.00 165 H 8.49 4.20 0.00 3.08 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.72 4.06 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 0.00 167 A 7.36 4.59 1.13 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 0.00 0.00 0.00 0.00 0.00 168 P 0.00 3.93 0.00 1.94 1.39 0.00 3.67 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 1.88 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.