NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5292 8.2493 123.5960 52.1525 19.9579 176.0563 2 S 4.5581 8.3641 116.4625 55.6982 66.1312 172.1080 3 I 3.1972 8.8003 124.8045 59.8984 38.5218 175.6576 4 P 4.0601 0.0000 0.0000 62.6619 31.6850 176.7653 5 S 4.3744 8.3907 116.1076 60.5635 63.6783 175.3185 6 S 4.4960 7.8576 112.4696 59.0513 66.0868 174.5521 7 A 4.1530 8.0695 121.7614 52.6802 18.6961 177.5437 8 S 4.3448 8.6643 118.0155 61.1062 64.0433 174.7316 9 V 5.0159 7.6500 117.1663 60.4785 34.3437 174.4167 10 Q 4.8788 9.4598 124.4439 54.6435 32.8268 173.2045 11 L 4.2731 9.5317 129.5458 56.6494 42.1384 175.9243 12 D 4.9802 9.1699 126.7742 56.0214 41.8391 176.2298 13 S 4.8841 7.7372 110.6404 57.8674 65.9481 172.6095 14 Y 5.3057 8.1275 117.9526 56.0991 41.2112 173.5652 15 N 5.0812 9.4798 116.7282 51.8094 43.5580 173.4075 16 Y 5.3378 8.7037 122.0827 56.3688 41.0311 174.3764 17 D 4.4938 8.3270 126.1314 53.0029 39.7524 177.2711 18 G 3.6634 6.9289 109.0290 45.1725 0.0000 174.6600 19 S 4.6569 7.7574 110.3828 58.2711 66.7720 174.0226 20 T 5.1246 9.0419 117.4313 61.4553 71.7732 172.8390 21 F 5.8548 9.3694 129.1923 56.7137 41.4694 174.4721 22 S 4.2175 8.9614 119.9314 56.6162 67.2869 173.3265 23 G 3.5292 6.0846 105.0086 46.2532 0.0000 171.6669 24 K 5.1793 8.2099 119.5911 54.9322 36.2218 175.8596 25 I 5.1427 8.8172 125.6907 59.9209 41.7214 174.0496 26 Y 4.8497 9.3488 125.4301 57.9326 39.3224 174.8427 27 V 4.5360 9.1503 123.5729 60.6843 34.7888 174.4055 28 K 3.3577 8.7502 130.6078 56.1173 32.5730 177.2514 29 N 4.5698 8.6559 128.0473 53.1863 36.2963 174.4588 30 I 3.7506 7.9677 123.7817 63.2874 37.9445 175.7118 31 A 3.9768 7.0735 119.0181 52.0945 21.5757 173.5746 32 Y 4.6426 8.0907 116.3765 57.8758 40.3215 175.2332 33 S 3.8693 8.8256 112.6322 60.1179 60.3691 173.1056 34 K 4.5529 8.1965 117.3974 56.4798 33.3263 177.7467 35 K 4.6252 9.1074 122.1547 54.6637 35.7186 175.3410 36 V 4.7629 8.3952 124.6169 61.3576 34.3032 174.1591 37 T 5.0851 9.1089 124.5701 61.7388 72.6484 173.0253 38 V 4.5190 8.7190 125.8192 61.4492 33.3746 174.5384 39 V 4.9567 8.7080 128.4510 61.2024 33.7138 173.8382 40 Y 5.3912 8.5359 124.9943 55.1860 41.3802 174.4451 41 A 4.1011 7.8965 122.9017 50.3491 20.9855 178.0230 42 D 4.9755 7.7527 120.8679 52.0741 41.1671 177.0740 43 G 3.5185 8.5805 106.7687 48.6560 0.0000 174.4320 44 S 4.4065 8.1402 113.6645 57.9293 63.1400 173.3562 45 D 4.1233 7.9168 119.0016 55.0431 39.8573 172.7159 46 N 4.6640 8.2843 116.7311 51.7447 39.6189 175.6828 47 W 4.1268 8.8360 125.5092 57.3336 30.1423 175.6455 48 N 4.0725 9.2740 117.1648 55.7776 37.2920 173.2445 49 N 4.2818 9.1407 107.3723 54.7476 36.5723 174.1536 50 N 4.3555 8.1145 108.0416 54.7476 36.9098 175.7446 51 G 3.8923 8.0445 104.2962 45.4752 0.0000 174.6088 52 N 4.5377 7.6644 118.6946 51.6149 38.8182 173.3719 53 I 5.1431 8.0624 123.2290 59.2465 41.0400 174.9604 54 I 4.6274 8.8723 126.9108 59.3101 40.1099 174.5535 55 A 4.7549 8.7699 129.4116 51.5476 18.9973 176.9971 56 A 4.7577 9.0644 125.5126 51.8560 20.0197 176.6696 57 S 4.7902 9.1519 114.6026 56.1251 67.2955 173.8344 58 F 2.3919 7.5438 124.6025 58.6115 39.0466 173.8201 59 S 4.1040 7.7677 121.0549 57.9156 63.2792 174.0427 60 G 3.7112 6.3383 105.2051 44.6653 0.0000 170.0631 61 P 4.9162 0.0000 0.0000 62.7432 32.7868 175.8994 62 I 4.2760 8.4581 122.5181 59.3062 38.1200 175.6216 63 S 4.1343 8.6808 120.4686 59.9530 62.5277 173.8636 64 G 3.9336 9.6709 114.0669 46.0161 0.0000 172.8316 65 S 4.6409 7.5690 111.7172 57.3796 66.2244 172.7367 66 N 4.9780 8.7825 116.2193 54.0527 39.6640 173.4156 67 Y 5.1339 8.4268 113.8931 55.7600 41.8441 174.5372 68 E 5.2312 9.3887 119.4956 55.0709 34.4360 174.4099 69 Y 5.4094 8.7241 119.5064 56.8524 40.0645 174.8715 70 W 5.2299 9.5364 123.2161 55.0667 32.9248 174.6747 71 T 5.2734 9.0238 113.2740 60.0844 71.9992 172.6019 72 F 5.2790 8.3480 116.1438 56.0360 41.8733 173.1751 73 S 5.0204 8.5257 111.4527 57.6668 65.0662 173.7230 74 A 4.8004 8.9387 127.3996 50.5711 23.1874 175.2682 75 S 4.7639 8.6500 116.1388 58.5203 63.6395 174.2630 76 V 4.4033 8.8487 124.9593 61.2070 33.3135 175.6341 77 K 4.2572 9.2232 128.0122 59.2521 32.5386 177.5387 78 G 4.1380 7.6818 104.2376 44.8974 0.0000 171.9702 79 I 4.3896 7.7578 120.5839 59.6137 41.0527 174.0016 80 K 4.4916 8.6623 126.9981 57.7615 34.4808 175.8107 81 E 5.2837 7.6126 115.1919 55.9832 32.6834 174.1791 82 F 5.7121 8.6867 114.7645 56.5891 41.9761 172.0282 83 Y 5.5303 9.1858 117.2286 55.9645 42.2507 173.5108 84 I 5.1618 9.4190 119.5431 59.4638 40.6189 174.9468 85 K 4.7665 9.3107 127.6657 54.7016 35.3683 174.1337 86 Y 5.3265 8.9490 127.3932 56.0906 41.9548 173.4726 87 E 5.1194 9.2641 127.1425 54.5224 32.5702 175.7119 88 V 4.3407 8.5965 122.0596 61.4445 35.2404 174.0824 89 S 3.7376 9.8237 120.4913 59.5741 60.3904 173.6375 90 G 3.8919 8.3115 106.5868 45.4996 0.0000 174.5268 91 K 4.1939 7.7315 119.7902 55.5036 33.3780 175.5994 92 T 4.8164 7.6438 117.1197 62.0132 71.3775 172.9607 93 Y 4.9741 8.9481 123.5849 56.3886 42.0121 174.2801 94 Y 5.2268 8.7387 117.3859 56.4748 42.3679 174.9338 95 D 5.0093 9.5902 123.0797 52.3504 43.1131 175.4541 96 N 5.1554 8.4919 124.1590 52.0256 38.3991 174.3263 97 N 3.8745 8.8638 114.2473 56.1021 37.8768 173.4136 98 N 4.1244 8.9301 107.4004 54.6245 36.3319 176.1640 99 S 3.9298 8.4675 111.3700 58.7670 62.1409 171.6472 100 A 3.9569 7.6305 122.2178 52.5379 18.4313 177.7692 101 N 4.1714 7.8142 115.4835 52.6065 38.7277 172.8724 102 Y 4.4272 8.0736 116.8111 57.0423 39.2222 175.1822 103 Q 4.8084 8.7825 123.9020 54.9395 30.2939 175.2935 104 V 4.4694 8.4924 124.9283 61.2536 32.7544 175.6068 105 S 4.1280 9.2252 125.1276 60.3938 63.4037 174.2289 106 T 3.9374 8.4016 118.9173 62.4604 68.0456 171.7081 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.25 4.53 1.44 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 0.00 0.00 2 S 8.36 4.56 0.00 3.95 3.77 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 3 I 8.80 3.20 1.63 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 1.41 0.55 0.34 0.00 0.00 4 P 0.00 4.06 0.00 1.56 1.76 0.00 2.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 5 S 8.39 4.37 0.00 3.97 3.94 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 6 S 7.86 4.50 0.00 3.84 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 7 A 8.07 4.15 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 8 S 8.66 4.34 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.65 5.02 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 0.83 0.00 0.00 0.96 0.00 0.00 10 Q 9.46 4.88 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 11 L 9.53 4.27 0.00 1.63 1.55 1.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.17 4.98 0.00 2.41 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.88 0.00 3.81 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 14 Y 8.13 5.31 0.00 3.19 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 15 N 9.48 5.08 0.00 2.63 2.67 0.00 0.00 6.74 7.60 0.00 0.00 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 Y 8.70 5.34 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.33 4.49 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 6.93 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 19 S 7.76 4.66 0.00 3.84 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 20 T 9.04 5.12 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 1.22 0.00 0.00 21 F 9.37 5.85 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 22 S 8.96 4.22 0.00 3.57 3.67 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 0.00 0.00 0.00 0.00 23 G 6.08 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 24 K 8.21 5.18 0.00 1.45 1.26 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 1.13 7.81 25 I 8.82 5.14 2.06 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 1.23 0.57 1.06 0.00 0.00 26 Y 9.35 4.85 0.00 3.17 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 27 V 9.15 4.54 1.98 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 -0.02 0.00 0.00 0.55 0.00 0.00 28 K 8.75 3.36 0.00 1.25 1.45 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.08 0.56 7.81 29 N 8.66 4.57 0.00 2.73 2.93 0.00 0.00 7.27 7.91 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 30 I 7.97 3.75 1.81 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 1.23 0.66 0.86 0.00 0.00 31 A 7.07 3.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.09 4.64 0.00 3.08 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 33 S 8.83 3.87 0.00 4.06 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 34 K 8.20 4.55 0.00 1.69 1.62 0.00 1.95 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.69 7.81 35 K 9.11 4.63 0.00 1.67 1.70 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 36 V 8.40 4.76 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 0.95 0.00 0.00 -0.27 0.00 0.00 37 T 9.11 5.09 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 1.25 0.00 0.00 38 V 8.72 4.52 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.28 0.00 0.00 39 V 8.71 4.96 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 1.04 0.00 0.00 0.89 0.00 0.00 40 Y 8.54 5.39 0.00 2.93 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 41 A 7.90 4.10 -0.22 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 42 D 7.75 4.98 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.58 3.52 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 0.00 0.00 0.00 44 S 8.14 4.41 0.00 3.96 3.88 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 45 D 7.92 4.12 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.66 0.00 2.80 2.97 0.00 0.00 7.28 7.93 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 47 W 8.84 4.13 0.00 3.49 3.26 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 48 N 9.27 4.07 0.00 2.84 2.87 0.00 0.00 7.17 6.52 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 49 N 9.14 4.28 0.00 2.89 2.86 0.00 0.00 7.22 8.00 0.00 0.00 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 N 8.11 4.36 0.00 2.96 3.00 0.00 0.00 6.67 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 51 G 8.04 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 52 N 7.66 4.54 0.00 1.75 1.42 0.00 0.00 6.84 7.48 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 53 I 8.06 5.14 1.89 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 1.34 0.62 0.94 0.00 0.00 54 I 8.87 4.63 1.74 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 1.16 0.68 1.00 0.00 0.00 55 A 8.77 4.75 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 56 A 9.06 4.76 1.59 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 0.00 0.00 57 S 9.15 4.79 0.00 3.66 3.61 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 58 F 7.54 2.39 0.00 1.73 2.42 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 59 S 7.77 4.10 0.00 3.64 3.77 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 60 G 6.34 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 61 P 0.00 4.92 0.00 2.17 2.23 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 62 I 8.46 4.28 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 1.18 0.91 0.88 0.00 0.00 63 S 8.68 4.13 0.00 3.85 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 64 G 9.67 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 0.00 0.00 0.00 65 S 7.57 4.64 0.00 4.23 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 66 N 8.78 4.98 0.00 2.87 2.70 0.00 0.00 6.68 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 67 Y 8.43 5.13 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.39 5.23 0.00 2.25 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 0.00 2.59 2.50 0.00 69 Y 8.72 5.41 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 9.54 5.23 0.00 3.29 3.22 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 71 T 9.02 5.27 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 72 F 8.35 5.28 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 73 S 8.53 5.02 0.00 3.70 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 74 A 8.94 4.80 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 75 S 8.65 4.76 0.00 3.82 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 76 V 8.85 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 0.29 0.00 0.00 0.86 0.00 0.00 77 K 9.22 4.26 0.00 1.84 1.90 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.42 7.81 78 G 7.68 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.76 4.39 1.03 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 1.41 0.65 -0.51 0.00 0.00 80 K 8.66 4.49 0.00 1.50 1.71 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 81 E 7.61 5.28 0.00 2.14 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 2.12 2.06 0.00 82 F 8.69 5.71 0.00 3.39 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.19 5.53 0.00 3.35 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.42 5.16 2.12 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 1.11 0.82 1.05 0.00 0.00 85 K 9.31 4.77 0.00 1.92 1.65 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.14 0.61 7.81 86 Y 8.95 5.33 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.26 5.12 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 88 V 8.60 4.34 1.80 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 0.26 0.00 0.00 0.86 0.00 0.00 89 S 9.82 3.74 0.00 3.94 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 90 G 8.31 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 91 K 7.73 4.19 0.00 1.76 1.14 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.28 7.81 92 T 7.64 4.82 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 93 Y 8.95 4.97 0.00 2.90 2.84 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 94 Y 8.74 5.23 0.00 2.80 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 95 D 9.59 5.01 0.00 3.13 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 96 N 8.49 5.16 0.00 2.78 2.78 0.00 0.00 5.85 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 97 N 8.86 3.87 0.00 1.48 2.50 0.00 0.00 7.32 5.99 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 98 N 8.93 4.12 0.00 2.83 2.81 0.00 0.00 7.29 7.57 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 99 S 8.47 3.93 0.00 3.97 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 0.00 100 A 7.63 3.96 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 0.00 101 N 7.81 4.17 0.00 3.10 3.18 0.00 0.00 6.94 8.29 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 0.00 102 Y 8.07 4.43 0.00 1.43 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 0.00 0.00 0.00 0.00 103 Q 8.78 4.81 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 104 V 8.49 4.47 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 0.84 0.00 0.00 0.85 0.00 0.00 105 S 9.23 4.13 0.00 3.99 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 0.00 106 T 8.40 3.94 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 1.25 0.00 0.00