NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3950 0.0000 0.0000 62.2773 31.8371 176.5431 13 E 3.7973 8.5928 125.9648 58.8493 29.5311 177.0344 14 T 3.8425 8.6427 116.8616 67.0413 69.0902 175.9617 15 T 3.8730 7.8859 117.0065 66.5115 68.4521 176.0860 16 E 3.8666 8.2714 120.8816 59.2635 29.8501 178.6330 17 A 3.9663 7.9699 120.6810 55.2549 18.3555 179.5706 18 I 3.6044 7.7794 118.1015 64.7645 37.2275 178.9691 19 R 3.8468 8.1181 118.5471 59.0079 29.8014 178.9139 20 A 3.9264 8.0909 120.7238 55.1758 18.3450 179.9245 21 V 3.1637 7.5183 116.3185 65.9064 31.4762 178.1458 22 E 3.8018 8.2620 118.2597 59.3523 29.3621 179.0982 23 A 3.8946 8.4512 121.0695 55.0858 18.4137 179.4600 24 F 4.0257 8.1915 119.0545 61.5179 39.5283 177.4651 25 L 3.4073 7.7420 118.5288 57.4149 41.2589 179.2091 26 N 4.2117 8.1906 116.5410 55.9869 38.4249 177.2936 27 A 3.7793 7.7816 122.1599 54.9387 18.3514 179.4096 28 L 3.6737 7.2563 117.4295 58.1723 41.4911 179.7004 29 Q 4.5773 7.4824 118.8520 58.3546 29.0606 177.0791 30 N 4.5804 7.9867 114.7003 51.9957 39.0516 174.6148 31 E 2.8509 7.3061 118.6468 57.1991 27.9410 175.9173 32 D 4.5047 7.2780 118.9821 53.3466 39.6126 175.1329 33 F 4.4834 8.0676 123.2833 59.3995 39.3717 176.6788 34 D 4.4274 8.1749 118.7983 57.5189 40.6207 178.5348 35 T 3.8433 7.7954 115.1686 66.5092 68.2325 176.5433 36 V 3.7881 7.4613 118.9094 66.3718 31.5201 177.3112 37 D 4.5834 8.4285 118.1106 57.6806 40.5494 178.8528 38 A 3.9956 8.1067 119.4848 55.1489 18.6633 179.1369 39 A 4.1190 8.4629 118.7776 52.7881 18.4565 176.8942 40 L 4.5763 6.9676 117.9345 52.7703 43.1667 177.0487 41 G 3.8074 8.7926 113.5262 45.1742 0.0000 174.0862 42 D 4.3900 8.8586 121.5146 57.1295 40.9546 177.9400 43 D 4.6467 7.8109 116.2762 53.7509 41.4337 175.9640 44 L 4.1367 7.7631 121.9311 56.2424 43.1848 176.0163 45 V 4.8136 8.7416 119.3066 59.8580 34.1557 174.1087 46 Y 5.3692 9.0841 126.6631 55.9808 41.4242 173.8380 47 E 5.2126 9.0155 126.6205 53.5463 33.2181 175.0025 48 N 5.0164 7.7280 122.1820 51.2472 39.8609 175.2229 49 V 3.4756 7.9404 125.4802 62.8775 31.6082 177.0629 50 G 3.5286 8.8232 112.5598 45.1328 0.0000 173.3819 51 F 4.6389 8.1570 116.5026 58.4734 41.7351 175.5442 52 S 4.6576 7.4147 112.7566 56.9821 66.1136 173.2802 53 R 4.9328 8.3564 121.7890 54.6892 32.9362 174.1011 54 I 4.6916 8.6850 126.1084 59.5504 41.1168 174.3732 55 R 4.9197 8.5448 124.6412 55.3138 32.5264 176.2204 56 G 4.0796 9.8553 113.2581 45.4720 0.0000 174.5152 57 G 3.8081 8.8965 112.9754 48.2359 0.0000 175.5150 58 R 4.0244 7.9190 119.8391 58.8708 30.3938 178.8459 59 R 3.9489 7.9984 118.0772 59.7131 30.0301 178.6415 60 T 4.0191 8.1328 115.3615 66.5543 68.4740 176.5449 61 A 4.1482 8.5223 123.4327 55.6174 18.4165 179.8303 62 T 3.8791 8.1955 108.1509 64.4993 68.7216 176.7978 63 L 3.9809 7.6978 122.2834 58.0536 42.2165 178.6783 64 L 4.3626 8.0916 118.0368 57.8527 41.7017 178.9797 65 R 2.5100 7.8433 117.7156 58.6140 30.7292 178.1210 66 R 4.0482 7.6913 117.9925 54.8633 28.9962 176.5611 *68 Q 3.9953 7.4775 118.2138 57.2816 30.3432 174.8920 69 G 4.0575 9.1553 113.1281 45.0912 0.0000 173.9129 70 R 4.4333 7.7971 114.0992 56.3721 31.4359 176.4417 71 V 4.4707 7.4988 116.8085 59.4603 33.7862 175.6579 72 G 3.8590 8.7580 112.3899 44.7900 0.0000 172.2566 73 F 5.6866 8.2641 119.3687 55.4878 42.4822 174.0863 74 E 5.1672 9.1409 122.2290 54.5973 32.7438 175.2320 75 V 4.7721 8.7909 122.2623 61.0361 34.8092 174.4297 76 K 4.4498 9.2645 128.9187 54.6720 34.9586 174.7056 77 I 4.4580 8.3247 128.9594 60.9019 37.2799 175.4237 78 H 4.6544 9.1999 125.9906 58.0978 29.6155 176.4946 79 R 4.8101 7.7944 115.2060 54.8221 34.7144 174.2632 80 I 5.0453 8.2921 121.8285 59.9491 41.2407 173.7939 81 G 4.3940 9.2496 114.6164 45.0711 0.0000 171.0524 82 A 5.3276 8.5275 121.1804 50.1864 22.3769 176.4426 83 D 4.5313 8.9375 119.2564 52.9530 43.4773 178.2026 84 G 3.8655 8.5462 118.5568 46.5307 0.0000 173.9893 85 A 4.2125 8.9458 131.3729 53.0469 19.5587 178.0231 86 A 5.0624 7.9472 118.4458 51.4038 20.6011 176.7340 87 V 4.9071 9.0718 119.9550 61.1904 35.0119 174.3833 88 L 5.5706 9.2286 127.9922 53.3694 44.7063 175.5496 89 T 5.2781 9.1702 111.8061 59.9858 72.7057 172.0919 90 E 5.0842 9.3010 125.1108 54.7609 32.0654 174.9232 91 R 5.2725 9.3488 124.8539 54.9183 35.5678 173.9511 92 T 4.9713 8.7236 117.1942 62.1007 71.1021 173.7053 93 D 5.3505 8.5068 125.1379 52.5484 45.1288 174.9398 94 A 5.0253 8.4114 120.5742 50.8643 23.0907 175.3070 95 L 5.0883 9.2230 122.9561 53.5979 44.0897 175.8440 96 I 4.9218 8.7733 123.8989 59.6534 40.5451 174.6291 97 I 4.5882 8.8492 129.0905 58.6208 39.5529 177.1514 98 G 3.7320 8.8594 119.5881 46.2730 0.0000 173.4345 99 P 4.3473 0.0000 0.0000 63.5462 31.8083 175.7238 100 L 4.0897 8.0049 123.2505 54.5898 42.5732 174.8868 101 R 4.9560 8.5568 126.3618 54.5076 32.8484 174.1430 102 V 4.3254 9.1852 127.1326 61.3867 33.2244 173.8387 103 Q 5.1586 8.3519 129.4325 54.5799 31.8989 173.9512 104 F 4.9519 7.9056 117.3595 55.6109 41.3815 173.3577 105 W 4.9771 8.9599 118.5961 56.8081 29.3105 175.7879 106 V 5.1604 9.1825 120.7662 61.9939 35.0695 173.1982 107 C 5.3313 9.8879 125.6845 58.2047 30.4499 172.8430 108 G 4.6601 9.0054 110.9721 44.5467 0.0000 172.4058 109 V 5.1920 8.9830 117.5744 59.4966 34.7632 174.8907 110 F 5.5824 9.6429 122.6810 55.7733 43.5351 173.6411 111 E 5.3435 9.2579 120.6217 54.5545 32.5419 175.3637 112 V 4.9249 8.5838 123.7910 59.8931 34.3668 174.9048 113 D 4.5554 8.9720 122.6507 53.4235 43.5186 175.1219 114 D 4.5409 9.7335 128.2564 55.5688 38.1775 175.1690 115 G 3.9536 8.2789 104.9588 45.6664 0.0000 173.7444 116 R 4.6611 7.5997 119.1891 54.2648 32.3249 175.2313 117 I 4.6030 8.7421 123.6876 61.4184 37.7135 176.4744 118 T 4.6327 9.4796 117.7862 61.8101 71.2093 174.1756 119 L 5.2889 7.8516 124.1164 53.0537 45.9233 174.6918 120 W 5.1458 9.6632 135.0000 55.7137 34.0384 173.9066 121 R 4.8088 8.8243 128.0478 54.8327 32.5957 173.2461 122 D 5.5165 8.8779 127.4785 52.9912 43.3142 175.2179 123 Y 4.9309 9.2670 121.8329 56.4661 40.5532 174.8936 124 F 4.3736 7.8553 116.9277 56.1773 41.1432 172.3519 125 D 5.0436 7.5656 117.9099 52.2378 43.1209 176.2978 126 V 3.8078 8.6315 119.6023 64.4970 32.2898 177.1382 127 Y 4.4143 8.5600 120.8468 60.8396 39.0127 177.9024 128 D 4.4365 8.3362 116.3001 54.8165 40.8188 177.3824 *130 F 4.6840 8.1969 121.3218 57.6611 41.1805 177.0337 131 K 3.7747 8.1468 120.0748 59.2838 31.5991 179.5174 132 G 3.6388 8.0648 107.3492 46.9849 0.0000 175.4524 133 L 3.8415 7.6348 122.2363 57.8422 42.1216 178.7620 134 L 3.7418 7.5613 119.0234 57.8011 41.4939 179.5243 135 R 3.9159 8.1196 118.7932 59.2402 30.0513 178.6204 136 G 3.7097 8.1427 107.0302 47.2690 0.0000 175.6267 137 L 3.9708 8.1314 122.3226 57.2728 41.5680 179.7786 138 V 3.6200 8.0998 118.3359 66.0415 31.3885 177.9724 139 A 4.7429 8.1373 121.6620 54.4276 17.9023 179.2708 140 L 3.9760 7.5957 117.7091 57.4124 42.1768 178.4387 141 V 4.4474 7.0831 110.4120 60.3066 34.1308 175.9782 142 V 4.2582 7.8779 118.8758 59.5797 31.2085 173.9009 143 P 4.7738 0.0000 0.0000 62.5584 31.7288 176.5693 144 S 4.7213 8.1387 118.1556 57.9041 62.8450 174.1603 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 12 P 0.00 4.39 0.00 2.23 2.30 0.00 3.66 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 1.96 1.96 0.00 13 E 8.59 3.80 0.00 2.14 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 2.38 2.46 0.00 14 T 8.64 3.84 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 1.22 0.00 0.00 15 T 7.89 3.87 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 1.20 0.00 0.00 16 E 8.27 3.87 0.00 2.21 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 0.00 2.29 2.32 0.00 17 A 7.97 3.97 1.41 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 0.00 0.00 0.00 18 I 7.78 3.60 1.98 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 1.52 0.67 0.89 0.00 0.00 19 R 8.12 3.85 0.00 2.08 1.94 0.00 3.29 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 1.62 0.00 20 A 8.09 3.93 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 21 V 7.52 3.16 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 0.08 0.00 0.00 0.56 0.00 0.00 22 E 8.26 3.80 0.00 2.10 1.91 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 2.26 2.36 0.00 23 A 8.45 3.89 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 24 F 8.19 4.03 0.00 2.97 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 25 L 7.74 3.41 0.00 1.54 1.51 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.19 4.21 0.00 2.69 2.76 0.00 0.00 6.83 7.30 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 27 A 7.78 3.78 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 28 L 7.26 3.67 0.00 1.47 1.54 0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.48 4.58 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 30 N 7.99 4.58 0.00 2.65 2.73 0.00 0.00 7.11 8.34 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 31 E 7.31 2.85 0.00 1.96 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 2.40 2.16 0.00 32 D 7.28 4.50 0.00 2.66 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 33 F 8.07 4.48 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 34 D 8.17 4.43 0.00 2.75 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 35 T 7.80 3.84 4.38 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 1.19 0.00 0.00 36 V 7.46 3.79 2.46 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 1.13 0.00 0.00 0.88 0.00 0.00 37 D 8.43 4.58 0.00 3.06 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 38 A 8.11 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.46 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 6.97 4.58 0.00 1.63 1.59 1.01 0.21 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 G 8.79 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 42 D 8.86 4.39 0.00 2.76 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 43 D 7.81 4.65 0.00 2.68 2.69 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 44 L 7.76 4.14 0.00 1.96 1.73 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.74 4.81 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 0.65 0.00 0.00 0.93 0.00 0.00 46 Y 9.08 5.37 0.00 2.96 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 47 E 9.02 5.21 0.00 1.67 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 48 N 7.73 5.02 0.00 2.72 2.98 0.00 0.00 6.40 7.56 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 49 V 7.94 3.48 1.69 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 -0.32 0.00 0.00 0.70 0.00 0.00 50 G 8.82 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.16 4.64 0.00 3.10 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 52 S 7.41 4.66 0.00 3.70 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 53 R 8.36 4.93 0.00 1.65 1.69 0.00 3.11 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 1.43 1.54 0.00 54 I 8.68 4.69 1.96 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 1.24 0.60 1.00 0.00 0.00 55 R 8.54 4.92 0.00 1.66 1.85 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 56 G 9.86 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.90 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 58 R 7.92 4.02 0.00 1.90 2.01 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 59 R 8.00 3.95 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 60 T 8.13 4.02 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 1.38 0.00 0.00 61 A 8.52 4.15 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 62 T 8.20 3.88 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 1.28 0.00 0.00 63 L 7.70 3.98 0.00 1.94 2.00 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.09 4.36 0.00 2.03 2.10 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.84 2.51 0.00 1.61 1.91 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.00 66 R 7.69 4.05 0.00 2.01 1.89 0.00 3.24 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 *68 Q 7.48 4.00 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 69 G 9.16 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.80 4.43 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 71 V 7.50 4.47 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 0.71 0.00 0.00 0.73 0.00 0.00 72 G 8.76 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 73 F 8.26 5.69 0.00 2.95 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 74 E 9.14 5.17 0.00 1.88 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 2.32 2.21 0.00 75 V 8.79 4.77 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 0.77 0.00 0.00 0.90 0.00 0.00 76 K 9.26 4.45 0.00 1.73 1.53 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 1.28 7.81 77 I 8.32 4.46 1.84 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 1.35 0.66 0.96 0.00 0.00 78 H 9.20 4.65 0.00 3.18 3.34 0.00 5.63 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 79 R 7.79 4.81 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 80 I 8.29 5.05 1.89 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 1.29 0.90 0.91 0.00 0.00 81 G 9.25 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.53 5.33 1.22 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 0.00 0.00 0.00 83 D 8.94 4.53 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 84 G 8.55 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 85 A 8.95 4.21 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 86 A 7.95 5.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.07 4.91 2.20 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 1.08 0.00 0.00 0.98 0.00 0.00 88 L 9.23 5.57 0.00 1.71 1.63 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.17 5.28 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 1.40 0.00 0.00 90 E 9.30 5.08 0.00 2.08 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 2.32 2.29 0.00 91 R 9.35 5.27 0.00 1.85 1.92 0.00 3.23 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 92 T 8.72 4.97 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 1.20 0.00 0.00 93 D 8.51 5.35 0.00 1.71 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 0.00 0.00 0.00 0.00 94 A 8.41 5.03 1.16 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 0.00 0.00 95 L 9.22 5.09 0.00 1.72 1.68 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.77 4.92 1.81 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 1.21 0.78 0.94 0.00 0.00 97 I 8.85 4.59 1.85 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 1.14 1.04 0.94 0.00 0.00 98 G 8.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.35 0.00 2.18 2.17 0.00 3.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 100 L 8.00 4.09 0.00 1.74 1.76 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.56 4.96 0.00 1.88 1.73 0.00 3.16 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 102 V 9.19 4.33 2.15 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 0.98 0.00 0.00 0.91 0.00 0.00 103 Q 8.35 5.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 104 F 7.91 4.95 0.00 3.07 2.90 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 0.00 105 W 8.96 4.98 0.00 3.50 3.19 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 0.00 106 V 9.18 5.16 2.32 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 1.46 0.00 0.00 1.23 0.00 0.00 107 C 9.89 5.33 0.00 3.18 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 0.00 108 G 9.01 4.66 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 0.00 109 V 8.98 5.19 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 1.05 0.00 0.00 1.03 0.00 0.00 110 F 9.64 5.58 0.00 2.97 2.92 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 0.00 111 E 9.26 5.34 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 112 V 8.58 4.92 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 0.68 0.00 0.00 0.92 0.00 0.00 113 D 8.97 4.56 0.00 2.68 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 0.00 114 D 9.73 4.54 0.00 2.84 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 0.00 115 G 8.28 3.95 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 0.00 0.00 0.00 116 R 7.60 4.66 0.00 1.83 1.80 0.00 3.33 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 117 I 8.74 4.60 1.66 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.36 0.95 0.00 0.00 118 T 9.48 4.63 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 1.22 0.00 0.00 119 L 7.85 5.29 0.00 1.78 1.64 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.66 5.15 0.00 3.33 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 0.00 121 R 8.82 4.81 0.00 1.81 1.80 0.00 3.13 0.00 0.00 2.86 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.25 0.00 122 D 8.88 5.52 0.00 2.85 2.88 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 0.00 0.00 0.00 123 Y 9.27 4.93 0.00 3.26 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 0.00 124 F 7.86 4.37 0.00 2.61 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 0.00 125 D 7.57 5.04 0.00 2.92 2.45 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 0.00 126 V 8.63 3.81 2.17 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 1.03 0.00 0.00 1.05 0.00 0.00 127 Y 8.56 4.41 0.00 3.07 3.47 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 0.00 128 D 8.34 4.44 0.00 3.11 2.56 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 *130 F 8.20 4.68 0.00 3.24 3.28 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 0.00 131 K 8.15 3.77 0.00 1.80 1.69 0.00 1.57 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.28 1.09 7.81 132 G 8.06 3.64 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 0.00 0.00 0.00 133 L 7.63 3.84 0.00 1.65 1.64 0.86 0.66 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 0.00 134 L 7.56 3.74 0.00 1.32 1.51 -0.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.12 3.92 0.00 1.99 1.88 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 136 G 8.14 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 0.00 137 L 8.13 3.97 0.00 1.74 1.68 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.10 3.62 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 1.07 0.00 0.00 0.92 0.00 0.00 139 A 8.14 4.74 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.60 3.98 0.00 1.91 1.82 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.08 4.45 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 0.78 0.00 0.00 0.96 0.00 0.00 142 V 7.88 4.26 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 1.06 0.00 0.00 0.96 0.00 0.00 143 P 0.00 4.77 0.00 2.07 2.09 0.00 3.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 144 S 8.14 4.72 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 * Residues marked with a * may have inaccurate shift predictions.