NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3894 8.3344 115.2898 57.7099 63.5735 173.2695 3 V 3.5770 8.2226 125.4330 62.3934 32.0601 173.5856 4 N 4.8729 8.5469 123.3769 51.3899 41.9331 173.3416 5 A 4.3173 7.8783 123.8410 51.1370 21.9578 175.7538 6 L 4.2950 8.0935 117.6760 55.5814 41.6037 176.2125 7 Y 4.7456 6.6331 115.9872 55.6595 40.5675 173.2258 8 D 4.4324 8.9337 119.6502 54.9736 40.9058 175.6090 9 Y 4.8309 8.4417 129.5771 55.7077 37.5384 173.4856 10 K 4.6198 7.5001 122.1581 53.9785 35.5031 175.7850 11 F 4.7717 8.1526 119.6824 55.7714 42.9909 174.0910 12 E 4.1677 8.7262 123.3920 55.5260 29.9070 175.5305 13 P 4.4588 0.0000 0.0000 62.7273 31.9763 176.9714 14 K 4.1855 8.6748 120.8132 58.8524 32.3090 177.3479 15 D 5.2734 7.8316 117.9971 53.7344 41.7479 176.7958 16 K 4.2315 8.1470 118.6683 56.2795 32.9809 178.6749 17 V 3.7335 8.6900 122.3748 64.8340 31.0808 178.0481 18 E 4.0354 8.2816 118.6166 58.8197 29.3043 177.2504 19 N 4.4459 8.4607 114.6149 53.6733 38.9858 175.5206 20 F 4.6717 7.9100 116.5058 57.0369 39.5314 175.3764 21 H 3.8811 9.0212 114.7557 57.1123 25.7842 174.6807 22 G 3.5849 7.9544 99.7525 46.2970 0.0000 172.7965 *24 Q 4.0008 7.6838 118.4448 55.7041 31.1830 173.4077 25 L 4.9686 8.0419 121.0841 52.7940 44.5962 175.3764 26 L 4.8576 8.4364 123.7580 53.4451 45.5520 174.5819 27 Y 5.8212 8.5636 123.1686 55.7923 40.2297 175.3919 28 V 4.8931 8.5445 121.7746 61.3976 35.3633 173.1572 29 Y 5.1809 9.1736 128.7622 55.5869 41.3722 173.8813 30 W 4.6440 8.7874 135.0000 54.7413 32.5441 172.8154 31 P 4.1394 0.0000 0.0000 62.8367 31.5344 175.7890 32 D 4.3879 8.6828 117.7613 55.5714 38.7510 174.1100 33 H 4.2885 7.1234 114.6819 54.7450 29.3732 175.2560 34 L 4.2215 8.1189 120.1827 56.5001 42.0085 178.6166 35 L 2.8871 7.0695 119.4836 56.4845 41.9705 176.6730 36 F 4.5723 7.4339 118.5818 55.7901 38.5119 175.9695 37 C 4.2104 8.7995 121.9286 60.8469 29.3905 173.8852 38 A 4.5790 7.3418 118.9364 49.4283 21.9541 173.7656 39 P 4.3695 0.0000 0.0000 62.6541 32.3445 176.7522 40 F 4.6316 8.8468 121.5712 57.6882 40.4119 174.0780 41 A 5.3571 8.8499 123.1613 50.3666 20.8967 175.7530 42 L 4.6630 8.6538 122.6594 52.8197 45.2925 175.6403 43 L 4.7667 8.5069 125.4764 53.7760 42.6751 175.3217 44 V 4.4910 8.1549 125.8746 60.7445 34.9524 175.1743 45 Q 4.2159 8.5076 123.6098 54.6962 28.8703 174.3147 46 P 4.4020 0.0000 0.0000 65.7479 31.6874 177.1697 47 G 3.9733 7.8051 107.6829 45.8111 0.0000 171.5884 *49 T 4.7920 7.2939 111.1128 61.4870 70.6066 175.6402 50 F 3.9525 8.6316 122.7014 61.5162 39.9300 176.8752 51 S 4.0757 8.3509 116.1817 62.3565 62.6338 176.3580 52 A 3.9155 8.2411 123.0302 54.9529 18.1205 179.4048 53 L 3.4727 8.2817 116.1086 57.9659 42.2045 179.6100 54 V 3.3946 7.7707 118.5637 65.7680 31.1293 177.4590 55 D 4.5556 7.5111 116.5575 56.0215 42.0184 178.2926 56 E 4.1575 8.6029 117.4559 58.9388 29.6128 176.7690 57 I 4.3337 7.3739 118.3235 61.5905 40.5373 176.8901 58 L 3.5429 8.1306 120.9241 57.9391 41.9962 179.6469 59 K 3.9824 7.4740 120.4092 58.5322 32.0387 176.6127 60 P 4.1415 0.0000 0.0000 65.9818 31.3592 177.7932 61 A 3.7402 7.6087 118.4696 55.0959 18.1284 178.9008 62 T 4.1718 7.9872 105.7610 63.7873 69.3927 178.8191 63 A 3.5663 8.2404 121.0654 53.9054 19.8210 177.7926 64 A 4.0876 8.1272 119.4978 53.9228 19.2026 176.6660 65 H 4.7700 8.7357 117.2034 54.4318 31.0235 173.8956 66 P 4.1768 0.0000 0.0000 65.7506 31.7453 178.0036 67 D 4.3382 8.6641 117.5954 56.5781 40.4520 178.3567 68 S 4.1111 8.5078 114.1582 61.5812 62.3534 175.7349 69 A 4.1302 7.3258 121.1251 55.1854 18.3273 179.1678 70 K 4.1660 7.7873 112.4122 55.8176 33.0685 177.2103 71 A 3.9286 7.1256 123.1638 51.9905 19.2386 177.4394 72 D 4.7367 7.8219 119.5572 51.8627 40.9852 175.0820 73 F 4.4789 6.8344 119.3376 58.7977 40.0635 174.2014 74 L 4.7551 9.9686 126.2917 55.6267 40.1093 174.1773 75 N 5.0193 8.6818 112.6077 52.7803 39.2511 173.8221 76 A 4.7079 8.0472 120.5710 50.3801 21.4527 177.2374 77 E 4.3854 8.4033 117.9094 56.4364 30.5367 176.8487 78 W 5.3709 9.0586 122.3399 54.9935 33.4453 174.5986 79 L 5.1468 9.3675 120.1641 53.1544 45.9179 175.5087 80 L 4.6648 8.8432 124.8910 53.3048 44.2331 176.1595 81 N 4.3213 9.7131 125.3594 54.6346 36.0886 175.2444 82 D 4.9436 8.4716 117.3021 54.6412 40.2519 175.0664 83 E 4.3529 8.2565 119.5441 54.6597 30.2906 174.5355 84 P 4.6998 0.0000 0.0000 63.3237 32.0483 175.3834 85 F 4.9123 8.4289 121.5832 57.3175 42.2915 174.2117 86 T 4.0700 6.6841 115.8848 59.5420 70.1238 171.4166 87 P 3.6816 0.0000 0.0000 60.9897 32.6868 176.2063 88 K 4.0245 7.9850 120.4800 55.2589 31.9124 177.3485 89 A 4.0365 8.2950 128.3085 55.1161 18.3536 178.8661 90 D 4.8354 7.9470 111.8511 53.9955 41.6693 176.2252 91 A 4.3623 7.8278 122.9286 50.9776 19.2004 178.4481 92 S 4.7675 8.4317 114.6498 57.4940 64.2775 175.7176 93 L 4.0175 8.5251 119.8107 57.8777 41.3741 179.0517 94 K 3.7918 8.6815 120.2092 60.0625 31.8303 178.3576 95 E 4.0542 8.3458 116.9762 59.0731 29.5481 177.9372 96 Q 4.4569 7.4976 115.5965 56.1559 28.8820 176.5746 97 G 3.9008 8.0838 107.3120 46.4850 0.0000 175.3542 98 I 4.0205 7.3251 122.4700 59.6650 35.7096 175.0830 99 D 4.7270 8.3282 125.0181 50.9436 41.5617 176.1528 100 H 4.0990 8.6175 117.9738 58.0864 29.7724 174.3613 101 K 3.7503 8.4827 123.8023 57.2106 30.9689 178.1075 102 S 4.4850 7.9661 117.9825 58.1699 63.1347 172.6820 *104 L 4.7559 8.3033 122.1905 56.1821 43.4641 175.9775 105 T 5.0536 8.7783 120.3158 61.9032 70.6937 173.9206 106 V 3.7878 7.9894 126.6023 60.0601 32.2401 175.1900 107 T 4.4705 8.7371 123.3017 62.3147 70.7649 174.2533 108 T 4.6144 8.5156 120.2295 59.5003 68.7546 171.4406 109 P 4.5150 0.0000 0.0000 63.1256 32.3872 177.1680 110 G 3.9892 8.9942 107.8762 45.1913 0.0000 173.6123 111 L 4.6865 7.4386 119.0447 52.7503 42.0155 175.8739 112 K 4.6194 8.3479 124.1251 56.2405 34.3771 178.0602 113 G 3.9917 7.3780 113.5900 48.0805 0.0000 175.2672 *115 A 4.1475 8.6163 126.0691 51.1557 19.5748 176.9188 116 N 4.1970 8.4569 112.8841 56.1813 36.0933 174.2718 117 A 4.6534 7.3450 115.2987 52.8804 19.8891 177.4688 118 G 4.2188 8.2174 104.7975 47.6621 0.0000 173.7889 119 Y 4.3137 7.6542 125.9969 57.3316 38.7609 174.9819 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 S 8.33 4.39 0.00 3.86 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 3 V 8.22 3.58 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 0.60 0.00 0.00 0.82 0.00 0.00 4 N 8.55 4.87 0.00 2.60 2.60 0.00 0.00 6.70 7.35 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 5 A 7.88 4.32 0.69 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 6 L 8.09 4.30 0.00 1.58 1.79 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 6.63 4.75 0.00 3.02 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 8 D 8.93 4.43 0.00 2.70 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 9 Y 8.44 4.83 0.00 2.78 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 10 K 7.50 4.62 0.00 1.53 1.49 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 11 F 8.15 4.77 0.00 2.90 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 12 E 8.73 4.17 0.00 2.01 1.92 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 2.33 2.29 0.00 13 P 0.00 4.46 0.00 2.11 2.06 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 14 K 8.67 4.19 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 15 D 7.83 5.27 0.00 2.82 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 16 K 8.15 4.23 0.00 1.86 2.24 0.00 1.71 0.00 0.00 2.01 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.66 7.81 17 V 8.69 3.73 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 0.75 0.00 0.00 0.78 0.00 0.00 18 E 8.28 4.04 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 19 N 8.46 4.45 0.00 2.30 2.39 0.00 0.00 6.87 7.36 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 20 F 7.91 4.67 0.00 3.20 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 21 H 9.02 3.88 0.00 3.34 3.39 0.00 5.72 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 22 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 Q 7.68 4.00 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 25 L 8.04 4.97 0.00 1.15 0.91 0.61 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.44 4.86 0.00 1.50 1.31 0.90 0.92 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 27 Y 8.56 5.82 0.00 2.95 2.86 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 28 V 8.54 4.89 2.35 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 1.13 0.00 0.00 1.02 0.00 0.00 29 Y 9.17 5.18 0.00 2.95 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 30 W 8.79 4.64 0.00 3.24 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 31 P 0.00 4.14 0.00 1.79 1.79 0.00 3.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.92 0.00 32 D 8.68 4.39 0.00 2.53 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 33 H 7.12 4.29 0.00 2.10 2.52 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.12 4.22 0.00 1.82 1.83 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.07 2.89 0.00 0.27 0.86 0.60 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.43 4.57 0.00 3.20 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 37 C 8.80 4.21 0.00 3.09 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 38 A 7.34 4.58 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 39 P 0.00 4.37 0.00 1.89 2.14 0.00 3.50 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 40 F 8.85 4.63 0.00 3.06 2.96 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 41 A 8.85 5.36 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 L 8.65 4.66 0.00 1.47 1.45 0.86 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.51 4.77 0.00 1.62 1.58 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.15 4.49 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 0.78 0.00 0.00 0.85 0.00 0.00 45 Q 8.51 4.22 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 P 0.00 4.40 0.00 2.16 2.11 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 47 G 7.81 3.97 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 0.00 0.00 0.00 *49 T 7.29 4.79 4.48 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 1.24 0.00 0.00 50 F 8.63 3.95 0.00 2.94 3.05 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 51 S 8.35 4.08 0.00 3.95 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 52 A 8.24 3.92 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 53 L 8.28 3.47 0.00 1.61 1.48 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.77 3.39 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 1.11 0.00 0.00 0.51 0.00 0.00 55 D 7.51 4.56 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.60 4.16 0.00 1.95 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 2.30 2.30 0.00 57 I 7.37 4.33 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 0.73 0.00 0.00 58 L 8.13 3.54 0.00 1.54 1.40 0.38 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.47 3.98 0.00 2.12 1.74 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 60 P 0.00 4.14 0.00 2.04 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 61 A 7.61 3.74 0.40 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 62 T 7.99 4.17 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 1.15 0.00 0.00 63 A 8.24 3.57 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 64 A 8.13 4.09 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 65 H 8.74 4.77 0.00 3.59 3.64 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.18 0.00 2.28 2.09 0.00 3.37 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 67 D 8.66 4.34 0.00 3.05 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 68 S 8.51 4.11 0.00 4.27 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 69 A 7.33 4.13 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 70 K 7.79 4.17 0.00 1.73 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.51 7.81 71 A 7.13 3.93 0.42 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 0.00 0.00 72 D 7.82 4.74 0.00 2.64 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 73 F 6.83 4.48 0.00 3.17 3.04 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 0.00 0.00 0.00 74 L 9.97 4.76 0.00 1.90 2.24 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.68 5.02 0.00 2.93 2.82 0.00 0.00 6.93 8.21 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 76 A 8.05 4.71 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 77 E 8.40 4.39 0.00 2.03 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 2.38 2.41 0.00 78 W 9.06 5.37 0.00 3.43 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 79 L 9.37 5.15 0.00 1.68 1.59 1.02 0.83 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 80 L 8.84 4.66 0.00 1.17 1.35 0.77 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.71 4.32 0.00 2.89 2.88 0.00 0.00 7.29 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 82 D 8.47 4.94 0.00 2.89 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 83 E 8.26 4.35 0.00 2.16 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 2.35 2.46 0.00 84 P 0.00 4.70 0.00 2.10 2.08 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 85 F 8.43 4.91 0.00 3.06 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 86 T 6.68 4.07 4.02 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 1.15 0.00 0.00 87 P 0.00 3.68 0.00 0.76 0.80 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.11 0.00 88 K 7.98 4.02 0.00 1.72 1.72 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.25 7.81 89 A 8.29 4.04 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 90 D 7.95 4.84 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.83 4.36 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 92 S 8.43 4.77 0.00 4.25 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 93 L 8.53 4.02 0.00 2.02 1.76 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.68 3.79 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 95 E 8.35 4.05 0.00 2.15 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 0.00 2.32 2.45 0.00 96 Q 7.50 4.46 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.04 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 97 G 8.08 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 0.00 0.00 0.00 98 I 7.33 4.02 1.92 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 1.14 0.57 0.90 0.00 0.00 99 D 8.33 4.73 0.00 2.93 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 0.00 100 H 8.62 4.10 0.00 3.00 3.30 0.00 6.07 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.48 3.75 0.00 1.85 1.95 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 0.76 7.81 102 S 7.97 4.49 0.00 3.81 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 *104 L 8.30 4.76 0.00 1.94 2.22 1.17 0.59 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 0.00 105 T 8.78 5.05 4.30 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 1.08 0.00 0.00 106 V 7.99 3.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 -0.04 0.00 0.00 107 T 8.74 4.47 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 1.21 0.00 0.00 108 T 8.52 4.61 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 1.97 0.00 0.00 109 P 0.00 4.52 0.00 2.24 2.05 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 110 G 8.99 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 0.00 111 L 7.44 4.69 0.00 1.74 1.99 0.93 1.03 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 0.00 112 K 8.35 4.62 0.00 2.01 1.95 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.37 7.81 113 G 7.38 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 *115 A 8.62 4.15 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 0.00 116 N 8.46 4.20 0.00 2.87 2.90 0.00 0.00 6.81 7.35 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 0.00 117 A 7.34 4.65 1.21 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 0.00 0.00 118 G 8.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.65 4.31 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.