NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6044 8.2649 122.4643 51.8050 20.4029 175.8265 3 R 4.2033 8.6979 119.0918 55.0674 31.6755 174.1415 4 I 4.9336 8.5276 123.8854 59.4612 40.5083 174.5171 5 R 4.6601 9.1887 127.2736 54.3580 33.3502 174.0298 6 V 4.8104 8.3709 124.9438 61.2772 33.7245 174.8379 7 V 4.4950 8.4210 119.7217 59.6961 36.4070 173.8402 8 Q 4.8935 9.7658 123.1311 53.8168 30.8635 175.9657 9 G 4.0730 7.5922 112.3964 45.1163 0.0000 170.5822 10 D 4.7234 8.2342 119.9308 52.6251 41.6406 177.4621 11 I 2.6021 8.2911 127.7727 63.4490 38.1443 177.2320 12 T 4.1030 8.1104 108.9737 63.1705 68.7313 174.7336 13 E 4.4842 7.9173 120.9768 55.9546 30.1158 175.9903 14 F 4.4014 7.9041 122.4607 58.3956 39.8688 174.1865 15 Q 4.2191 7.4069 126.1200 54.9860 30.4150 174.8412 16 G 3.6335 7.0731 108.9916 46.7729 0.0000 172.6322 17 D 4.6554 8.5681 118.9035 57.3670 42.1583 176.5492 18 A 5.6466 8.3781 117.3086 51.9131 23.2873 175.3638 19 I 4.7745 8.1986 111.9724 59.0331 41.2081 174.3141 20 V 4.3591 8.1391 124.4381 61.5208 32.8447 174.4054 21 N 4.8320 8.9852 126.5544 51.8980 41.0993 173.8418 22 A 4.7089 8.7196 127.7553 51.5766 18.5910 176.3737 23 A 4.7904 8.8283 123.6228 51.2884 22.4984 175.1692 24 N 5.3509 8.3980 116.2335 51.3235 40.1670 175.6301 25 N 4.5685 8.8950 116.3594 54.6156 37.8523 175.7473 26 Y 4.1508 8.2691 116.2222 57.4369 38.5723 175.1920 27 L 3.5908 7.7336 118.7026 55.3723 39.8565 174.1373 28 K 4.2126 8.2990 120.0255 55.0151 32.3952 176.2791 29 L 4.3786 8.5287 127.5414 54.1936 42.4078 176.0842 30 G 3.8419 8.9415 111.8949 45.7512 0.0000 173.3655 31 A 4.0870 9.0878 121.0253 52.5271 20.4229 179.7857 32 G 3.8567 8.4213 107.4749 45.2985 0.0000 174.3627 33 V 3.5271 8.2295 116.0322 65.6430 31.2892 178.4497 34 A 4.3086 8.2634 120.5479 55.3935 17.9661 179.6499 35 G 3.5733 8.4536 105.2087 47.1114 0.0000 175.9821 36 A 3.9928 7.7249 122.6510 54.9070 18.4804 179.5810 37 I 3.5897 8.1721 118.7905 64.4470 37.1347 178.3869 38 L 3.9237 8.1232 121.3216 58.0397 41.6760 178.8328 39 R 3.8501 7.8552 117.4641 59.6806 30.1773 178.4440 40 K 4.2409 8.5328 117.3430 59.0357 32.3330 179.5092 41 G 3.7451 8.6235 106.6426 47.3763 0.0000 173.4452 42 G 4.2856 7.8428 107.5587 42.9223 0.0000 172.9762 43 P 4.3310 0.0000 0.0000 65.3098 30.9293 178.6216 44 S 4.6252 8.0107 115.5167 60.9504 62.7344 176.4300 45 I 3.6959 7.5636 123.3819 64.3585 36.8122 178.1877 46 Q 3.9876 8.0216 119.8725 59.1236 28.9702 177.7860 47 E 3.9629 8.5291 120.0466 59.5488 29.3723 179.2496 48 E 4.0356 8.4501 118.6856 59.4136 29.3854 179.2310 49 C 4.1037 8.0647 116.8935 62.9442 27.9876 175.7843 50 D 4.3661 8.1493 119.5212 57.5718 40.4689 178.9514 51 R 4.0788 7.7304 117.0418 58.9291 30.0532 178.7695 52 I 3.9539 7.3161 119.5577 61.7666 37.4816 177.1725 53 G 3.8942 8.0795 106.5344 43.9396 0.0000 172.5065 54 K 4.1242 8.3952 119.7025 57.0367 32.6316 175.8622 55 I 4.7229 8.2617 119.5239 59.5185 40.8587 174.2513 56 R 4.5734 8.2111 119.2300 54.4105 32.6068 176.5595 57 V 3.7584 8.1995 122.0737 64.5817 31.7905 176.1649 58 G 4.0027 9.4873 115.4655 45.0743 0.0000 173.0014 59 E 4.6306 8.0587 119.1045 54.9449 32.3279 174.5134 60 A 5.2944 8.3027 120.2917 50.7146 22.6423 175.3834 61 A 4.7268 8.9920 120.1668 50.1460 23.0431 175.2449 62 V 4.8834 8.3917 119.9347 61.4181 34.0180 174.6787 63 T 4.8793 8.6623 116.5310 59.8200 73.0211 173.2885 64 G 4.0474 9.7739 111.6083 45.5029 0.0000 173.4056 65 A 4.6058 8.4815 119.2201 50.7694 20.5833 178.0312 66 G 3.6889 7.5793 106.4502 47.4253 0.0000 175.3575 67 N 4.6012 9.4193 122.3483 53.5380 38.7074 175.2555 68 L 4.2109 7.9392 120.4661 53.8960 42.0985 176.4276 69 P 4.5666 0.0000 0.0000 63.6091 31.5564 175.6171 70 V 4.8848 7.9045 112.4981 59.1476 35.0396 176.2769 71 R 3.9328 8.5915 120.5681 58.9379 30.6240 176.6105 72 Y 5.2262 8.2088 114.6080 56.1351 43.0228 174.5729 73 V 4.7348 8.6456 120.6029 61.2934 34.6564 174.2569 74 I 4.4141 8.5656 129.4134 60.0723 38.9687 174.8041 75 H 4.8316 9.4960 126.4196 54.9105 29.8323 174.7724 76 A 4.7292 8.6733 127.1590 50.1340 20.5344 176.1222 77 A 4.6633 8.9490 125.9095 52.8321 18.5805 177.8735 78 V 4.4002 8.5910 115.3973 62.5135 33.7849 175.6769 79 L 4.5483 7.3574 119.7340 55.7364 43.5844 173.6102 80 G 4.1452 8.5809 112.2192 44.7023 0.0000 175.9737 81 D 4.6425 6.9660 127.0919 55.6332 41.4842 175.7875 82 E 4.7125 7.9100 120.0998 53.3134 32.8765 172.7788 83 P 4.6049 0.0000 0.0000 62.0563 32.2384 176.0201 84 A 4.3455 8.6061 123.2216 52.1294 18.9715 177.5356 85 S 4.6571 8.5956 116.3316 56.0611 67.5269 175.6558 86 L 3.9572 8.4863 121.8973 57.7969 41.2454 179.5116 87 E 3.9379 8.1042 119.3490 59.3990 29.6463 178.7498 88 T 3.9466 7.8837 109.9393 64.4848 68.7504 176.9615 89 V 3.5454 8.0275 121.4178 65.7676 31.5983 177.8344 90 R 3.8565 8.1797 118.6756 59.4803 29.8561 178.5632 91 K 3.9349 8.1651 117.8546 59.5293 31.9992 179.2788 92 A 4.2337 8.1960 122.5322 54.8614 18.1749 179.8513 93 T 4.0002 8.2551 114.5881 66.7013 68.4704 176.8123 94 K 3.9374 8.0843 121.5595 59.6978 32.2379 179.0824 95 S 4.2807 8.4226 115.4018 61.4508 62.6865 176.5532 96 A 4.0132 8.4218 123.8208 55.0971 18.0720 179.6832 97 L 4.1166 8.4641 118.1332 57.9765 41.6818 179.6002 98 E 3.9962 8.5018 117.7520 59.3070 29.3865 179.4366 99 K 3.9148 8.1233 119.2100 59.0902 32.1443 179.0003 100 A 3.9883 8.1486 121.1216 55.1875 18.3154 179.8597 101 V 3.5258 8.1275 116.8646 66.3675 31.4695 177.8493 102 E 4.0202 8.2535 117.2155 59.4986 29.4412 178.7861 103 L 4.3113 8.0606 115.9909 53.9948 42.2096 176.8207 104 G 3.9875 8.4156 107.3633 46.4109 0.0000 174.2928 105 L 4.4209 7.8982 118.0148 54.3283 42.6999 177.2419 106 K 4.8643 9.6595 119.5381 57.0269 34.9694 176.4764 107 T 5.2753 8.0751 109.9292 60.0463 71.9536 173.2771 108 V 4.8981 9.1021 125.2713 61.0393 35.5723 173.4711 109 A 4.9642 8.3630 128.7292 50.2030 21.2695 175.6296 110 F 5.0228 9.5058 120.8226 55.0781 42.6883 173.4995 111 P 4.7879 0.0000 0.0000 61.3598 34.1740 176.0981 112 L 4.2788 7.9605 119.5540 52.8445 40.0747 175.4868 113 L 4.0918 8.1344 121.7144 56.5449 42.3185 178.2983 114 G 4.0124 9.1320 111.2749 45.6563 0.0000 174.4697 115 T 4.7617 7.0652 107.5932 61.2424 71.4200 175.3202 116 G 3.8329 8.1778 112.6387 46.1820 0.0000 176.0291 117 V 3.6077 9.3410 121.2713 65.7409 32.0192 176.3545 118 G 3.6572 8.1937 107.5927 46.7005 0.0000 174.0165 119 G 3.9178 7.9336 106.3915 46.2194 0.0000 173.6520 120 L 4.4062 8.1422 120.0521 52.6826 42.9538 174.7817 121 P 4.4067 0.0000 0.0000 62.6451 33.0210 177.5658 122 V 3.5449 8.3738 120.7199 66.1953 31.5467 178.0114 123 E 3.9118 8.1855 117.4498 59.6027 29.4132 179.1845 124 A 3.9966 7.9158 120.1006 55.0052 18.2545 179.7234 125 V 3.4832 7.5632 115.6289 66.0002 31.7203 177.6856 126 A 4.0889 8.0237 119.6686 55.1624 18.6074 179.2254 127 R 3.9996 7.8803 117.0304 59.5376 30.0159 179.7272 128 V 3.5457 7.5070 114.2834 63.8775 31.1648 177.2573 *130 L 4.1839 7.8965 119.2283 54.3438 43.6070 178.9971 131 E 3.9158 8.0378 117.1808 59.5460 29.6869 178.9790 132 E 4.0966 7.9091 118.6089 59.3560 29.5644 179.3933 133 I 3.6069 7.5353 119.3998 64.1782 36.9795 178.3073 134 K 4.0976 8.0297 118.1704 58.6017 31.8977 178.2586 135 K 4.0967 7.6581 117.2988 57.8061 32.4711 177.4139 136 A 4.2313 7.5004 121.8960 50.7477 19.1633 175.5432 137 P 4.4730 0.0000 0.0000 62.6843 31.9219 177.3927 138 D 4.5489 8.5266 119.3269 56.6812 40.8711 177.6152 139 T 4.0886 7.8479 108.1905 62.6270 69.4526 173.6918 140 L 4.8083 7.8776 126.0441 53.4057 44.4629 174.3141 141 E 4.9615 9.3249 128.0940 54.6630 31.6983 174.3440 142 V 4.9430 9.2109 127.9855 61.6659 33.9196 174.2463 143 T 5.0216 8.8617 125.1483 62.0353 70.7352 173.4091 144 L 5.1113 9.0688 127.4183 53.5868 43.6338 175.1113 145 Y 4.8746 9.1847 122.7460 56.4674 39.6822 175.2878 146 G 4.0272 8.6647 111.3199 44.6435 0.0000 174.2585 147 Y 4.7513 8.5474 122.8029 59.9134 38.6816 176.0182 148 R 4.8036 7.6493 116.8204 53.5868 33.5264 176.1205 149 E 3.9538 8.9466 121.2852 59.6744 29.5923 179.2507 150 E 4.0006 8.1887 116.8804 59.4416 29.5899 178.7695 151 D 4.3408 8.1285 119.8851 56.9906 40.9262 178.4425 152 A 3.9786 7.9124 120.9030 55.2389 18.4725 179.3982 153 E 3.9237 8.4209 116.9392 59.3880 29.2587 179.4404 154 A 4.0146 7.6520 120.0297 55.1058 18.7127 179.4584 155 I 3.7806 7.8227 118.3682 64.6079 37.0413 178.8480 156 R 3.9275 8.0682 118.8838 59.3608 29.6583 179.3446 157 R 3.9699 7.9914 116.4997 58.5862 30.0799 178.2562 158 A 4.2400 7.6302 119.3883 53.5299 18.8403 177.1976 159 L 4.0688 7.4401 121.7800 55.3209 41.7373 177.0065 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 2 A 8.26 4.60 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 3 R 8.70 4.20 0.00 1.81 1.87 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 4 I 8.53 4.93 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.87 0.00 0.00 5 R 9.19 4.66 0.00 1.84 1.75 0.00 3.06 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 6 V 8.37 4.81 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 0.82 0.00 0.00 0.89 0.00 0.00 7 V 8.42 4.50 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 0.51 0.00 0.00 -0.05 0.00 0.00 8 Q 9.77 4.89 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.16 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 9 G 7.59 4.07 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 0.00 0.00 0.00 10 D 8.23 4.72 0.00 2.72 2.82 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 11 I 8.29 2.60 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.05 0.83 0.00 0.00 12 T 8.11 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 13 E 7.92 4.48 0.00 2.20 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 2.29 2.25 0.00 14 F 7.90 4.40 0.00 2.86 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 15 Q 7.41 4.22 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 16 G 7.07 3.63 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 0.00 0.00 0.00 17 D 8.57 4.66 0.00 2.99 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 18 A 8.38 5.65 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 19 I 8.20 4.77 1.71 0.00 0.00 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 1.21 1.19 1.00 0.00 0.00 20 V 8.14 4.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 -0.15 0.00 0.00 21 N 8.99 4.83 0.00 2.71 2.47 0.00 0.00 6.80 7.81 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 22 A 8.72 4.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.83 4.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.40 5.35 0.00 2.96 3.00 0.00 0.00 5.68 6.96 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 25 N 8.90 4.57 0.00 2.74 3.02 0.00 0.00 7.29 7.52 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 26 Y 8.27 4.15 0.00 3.19 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 27 L 7.73 3.59 0.00 1.78 1.66 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.30 4.21 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 29 L 8.53 4.38 0.00 1.67 1.80 0.99 0.95 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 30 G 8.94 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 0.00 0.00 0.00 31 A 9.09 4.09 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 32 G 8.42 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 0.00 0.00 0.00 33 V 8.23 3.53 2.07 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 0.91 0.00 0.00 0.58 0.00 0.00 34 A 8.26 4.31 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 35 G 8.45 3.57 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 0.00 36 A 7.72 3.99 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 37 I 8.17 3.59 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.90 0.00 0.00 38 L 8.12 3.92 0.00 1.75 1.81 0.97 1.13 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 39 R 7.86 3.85 0.00 2.05 2.08 0.00 3.35 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 K 8.53 4.24 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 8.62 3.75 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 0.00 0.00 0.00 42 G 7.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.33 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 44 S 8.01 4.63 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.56 3.70 1.89 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 1.62 0.75 0.98 0.00 0.00 46 Q 8.02 3.99 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 47 E 8.53 3.96 0.00 2.19 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 2.33 2.58 0.00 48 E 8.45 4.04 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 49 C 8.06 4.10 0.00 3.25 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 50 D 8.15 4.37 0.00 2.77 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 51 R 7.73 4.08 0.00 2.06 1.99 0.00 3.16 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 52 I 7.32 3.95 2.01 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 1.44 0.64 0.89 0.00 0.00 53 G 8.08 3.89 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 0.00 54 K 8.40 4.12 0.00 1.69 1.65 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 0.73 7.81 55 I 8.26 4.72 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.92 0.00 0.00 56 R 8.21 4.57 0.00 1.70 1.82 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 57 V 8.20 3.76 2.07 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 0.82 0.00 0.00 0.98 0.00 0.00 58 G 9.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.06 4.63 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 60 A 8.30 5.29 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.99 4.73 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.39 4.88 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 0.57 0.00 0.00 0.81 0.00 0.00 63 T 8.66 4.88 4.42 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 1.23 0.00 0.00 64 G 9.77 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 0.00 0.00 0.00 0.00 65 A 8.48 4.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.58 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 67 N 9.42 4.60 0.00 2.96 2.86 0.00 0.00 6.97 7.63 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 68 L 7.94 4.21 0.00 1.85 1.58 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.57 0.00 2.06 2.24 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 70 V 7.90 4.88 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 1.20 0.00 0.00 1.02 0.00 0.00 71 R 8.59 3.93 0.00 1.48 1.10 0.00 3.06 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 72 Y 8.21 5.23 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.65 4.73 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 0.70 0.00 0.00 0.93 0.00 0.00 74 I 8.57 4.41 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.82 0.00 0.00 75 H 9.50 4.83 0.00 3.16 3.26 0.00 5.79 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 76 A 8.67 4.73 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 77 A 8.95 4.66 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 78 V 8.59 4.40 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 0.92 0.00 0.00 1.02 0.00 0.00 79 L 7.36 4.55 0.00 1.74 1.83 0.96 0.45 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 80 G 8.58 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 81 D 6.97 4.64 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.91 4.71 0.00 1.94 1.71 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 2.20 2.23 0.00 83 P 0.00 4.60 0.00 2.23 2.05 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 84 A 8.61 4.35 1.28 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 85 S 8.60 4.66 0.00 4.03 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 86 L 8.49 3.96 0.00 1.71 1.76 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.10 3.94 0.00 2.07 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 2.37 2.42 0.00 88 T 7.88 3.95 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 1.31 0.00 0.00 89 V 8.03 3.55 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 1.07 0.00 0.00 1.06 0.00 0.00 90 R 8.18 3.86 0.00 2.01 2.06 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 91 K 8.17 3.93 0.00 2.00 2.00 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.76 7.81 92 A 8.20 4.23 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 93 T 8.26 4.00 4.36 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 1.02 0.00 0.00 94 K 8.08 3.94 0.00 1.95 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 95 S 8.42 4.28 0.00 4.04 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 96 A 8.42 4.01 1.49 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 0.00 0.00 97 L 8.46 4.12 0.00 1.89 1.77 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.50 4.00 0.00 2.19 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 0.00 2.43 2.45 0.00 99 K 8.12 3.91 0.00 1.97 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.67 1.57 7.81 100 A 8.15 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.13 3.53 2.23 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 1.03 0.00 0.00 1.02 0.00 0.00 102 E 8.25 4.02 0.00 2.13 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 0.00 2.34 2.47 0.00 103 L 8.06 4.31 0.00 1.76 1.68 0.50 0.49 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 0.00 104 G 8.42 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 0.00 105 L 7.90 4.42 0.00 1.75 1.72 1.09 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 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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 0.00 0.00 0.00 115 T 7.07 4.76 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 1.30 0.00 0.00 116 G 8.18 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 0.00 117 V 9.34 3.61 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 0.83 0.00 0.00 0.95 0.00 0.00 118 G 8.19 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.93 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 0.00 120 L 8.14 4.41 0.00 1.75 1.59 0.92 0.98 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 0.00 121 P 0.00 4.41 0.00 2.26 2.18 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 122 V 8.37 3.54 2.07 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 132 E 7.91 4.10 0.00 1.84 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 2.44 2.61 0.00 133 I 7.54 3.61 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.77 0.00 0.00 134 K 8.03 4.10 0.00 1.68 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 135 K 7.66 4.10 0.00 1.89 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.55 7.81 136 A 7.50 4.23 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 0.00 137 P 0.00 4.47 0.00 2.24 2.20 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 138 D 8.53 4.55 0.00 2.70 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 0.00 139 T 7.85 4.09 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 0.00 140 L 7.88 4.81 0.00 1.81 1.72 1.00 0.87 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 0.00 141 E 9.32 4.96 0.00 2.10 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 0.00 2.29 2.28 0.00 142 V 9.21 4.94 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 0.91 0.00 0.00 0.94 0.00 0.00 143 T 8.86 5.02 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 1.13 0.00 0.00 144 L 9.07 5.11 0.00 1.54 1.56 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 9.18 4.87 0.00 2.81 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 0.00 146 G 8.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.55 4.75 0.00 3.04 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 0.00 148 R 7.65 4.80 0.00 2.07 1.82 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 149 E 8.95 3.95 0.00 2.09 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 0.00 2.39 2.58 0.00 150 E 8.19 4.00 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 151 D 8.13 4.34 0.00 2.85 2.71 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 0.00 152 A 7.91 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.42 3.92 0.00 2.16 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 0.00 2.32 2.55 0.00 154 A 7.65 4.01 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 0.00 155 I 7.82 3.78 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.86 0.00 0.00 156 R 8.07 3.93 0.00 2.02 1.96 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 157 R 7.99 3.97 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 158 A 7.63 4.24 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 0.00 159 L 7.44 4.07 0.00 1.68 1.59 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.