NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 W 4.7730 8.2744 117.8437 55.6308 30.2803 175.2118 5 V 3.0576 6.3524 119.8969 60.3971 31.7203 172.9680 6 P 4.5923 0.0000 0.0000 61.6652 33.0782 174.6383 7 P 4.7663 0.0000 0.0000 64.2012 31.4503 177.0075 8 E 4.4713 8.3858 119.4653 57.8926 30.2132 177.8304 9 V 3.4905 7.8809 117.9136 66.2392 30.9825 177.8655 10 F 4.0127 8.1633 116.3263 59.8586 38.8153 176.6219 11 D 4.6005 8.1664 118.0458 55.3629 39.4588 178.1959 12 L 3.9925 7.2365 119.1603 57.7219 42.0139 179.1290 13 V 4.2249 7.4908 116.2414 62.4333 31.9180 177.9070 14 A 4.0405 7.5197 121.2916 55.4094 18.1932 179.1434 15 E 3.8952 8.1634 117.1783 59.6401 29.7546 178.6081 16 D 4.3262 8.1065 118.4815 56.9832 40.8068 178.5205 17 K 4.0377 8.6930 120.4659 59.4891 32.3096 178.6997 18 A 4.0146 8.2368 121.1571 55.1202 18.2272 179.5104 19 R 3.8363 8.1920 117.2207 59.9951 29.7902 178.1816 20 C 4.4013 8.6130 116.6439 60.2255 35.0024 176.0775 21 M 4.1891 8.6025 122.0438 57.9670 31.3341 178.7691 22 S 4.1226 7.9905 112.1581 61.4345 62.6421 175.7153 23 E 4.0611 8.4139 120.6977 58.7515 29.5962 177.9749 24 H 4.9245 7.9591 113.1213 54.4060 29.4976 175.2627 25 G 4.0500 8.0888 108.1637 46.6079 0.0000 174.0315 26 T 4.2350 7.7775 116.6341 63.1842 69.1289 174.1218 27 T 4.6238 8.5171 116.0754 59.9188 72.3562 175.6335 28 Q 3.8469 8.4829 122.5648 59.3310 29.0290 178.5130 29 A 3.9606 7.9631 121.3550 55.3712 18.3960 179.4893 30 Q 3.9594 8.0834 116.4643 59.0061 28.7622 178.9853 31 I 3.6507 7.3854 120.7109 64.5084 37.1492 178.1658 32 D 4.3820 8.3218 119.9602 57.2862 40.5069 178.4610 33 D 4.2811 8.0172 118.5663 57.3326 41.2103 178.2751 34 V 3.9836 7.6397 120.0597 65.7226 31.3100 177.7812 35 N 4.4878 8.1244 114.4054 55.6058 38.4356 176.5988 36 K 4.3844 7.7828 118.0195 56.5112 32.4893 177.6656 37 G 3.9709 8.4147 108.4809 45.1393 0.0000 172.9359 38 N 4.8267 8.4128 118.5872 51.3463 39.6254 174.1051 39 L 4.6729 8.3775 124.6880 53.7019 44.9275 175.3890 40 V 4.4972 8.2995 118.5744 59.6299 34.8350 175.4081 41 N 3.7493 7.9723 120.0260 52.5727 37.6581 175.5341 42 E 4.5094 7.4249 119.5075 54.2336 32.0500 174.7384 43 P 4.4965 0.0000 0.0000 65.0748 31.2138 178.5575 44 S 4.6710 8.1002 112.8676 60.4054 62.9360 175.4193 45 I 4.2652 7.6396 120.9187 62.7749 38.6521 177.4698 46 T 4.0863 8.1822 110.9594 65.0722 68.7357 176.1366 47 C 4.4248 8.5988 119.6114 59.3569 40.0763 175.3947 48 Y 4.0195 8.0135 121.1008 60.9147 38.4943 177.9068 49 M 3.9055 8.1690 119.4982 58.4604 32.1431 177.8481 50 Y 4.0195 7.9919 119.6940 61.0152 38.9066 177.2932 51 C 3.9095 8.4620 119.5060 59.7596 37.7588 175.4805 52 L 3.2089 7.3293 121.4894 57.6399 41.5860 178.6971 53 L 3.7974 7.4379 118.9299 57.6662 41.4300 179.1623 54 E 3.6113 7.6249 118.8685 59.0672 29.2931 178.4535 55 A 3.8407 7.1708 119.5833 54.8226 18.3034 178.6665 56 F 4.8910 7.0478 112.5339 56.6668 39.3301 176.0172 57 S 3.7860 7.9513 113.3255 59.8285 60.7775 172.9261 58 L 4.4786 8.4381 120.5519 55.3362 42.2471 177.0500 59 V 4.9358 7.2638 110.5213 59.5500 35.7930 174.5600 60 D 4.9490 8.3220 122.2036 51.6292 41.6039 176.6534 61 D 4.6554 8.7431 117.6026 55.8409 39.2186 176.4117 62 E 5.1999 8.3928 118.6478 55.6325 30.2727 175.2171 63 A 4.1192 8.3272 117.6020 53.0614 17.2169 177.8646 64 N 4.5348 8.4757 116.9471 54.6235 39.1321 174.8722 65 V 4.3884 8.2724 123.2613 62.1370 32.5877 176.0052 66 D 4.6219 8.9309 127.5469 53.2519 40.4355 176.2372 67 E 3.9572 8.4821 127.5069 58.7960 29.8804 177.8697 68 D 4.3013 8.1092 118.5668 57.5517 40.8298 178.5419 69 I 3.7045 7.5039 118.7022 64.4545 37.4801 177.9071 70 M 4.1705 8.3259 119.1682 58.8672 32.1072 178.3081 71 L 4.0718 8.5983 119.4410 57.7682 41.5085 179.8640 72 G 3.5906 7.8861 104.9376 47.3676 0.0000 174.9052 73 L 4.2939 7.6103 118.0309 54.5109 42.1617 176.6976 74 L 4.1347 6.9821 119.6806 51.7147 43.6291 174.7273 75 P 4.2749 0.0000 0.0000 62.5675 31.6829 176.5687 76 D 4.3184 8.9467 120.8963 57.9625 40.8079 179.3628 77 Q 4.0192 7.9720 115.4539 58.6621 28.8053 177.4029 78 L 4.2257 7.7548 120.2321 56.1023 42.0858 178.6931 79 Q 3.8812 7.5205 117.7426 58.8555 28.5132 178.6420 80 E 3.9199 8.0060 119.0797 59.4329 29.6178 179.2245 81 R 3.8462 7.8989 118.0295 59.1883 30.1509 178.2450 82 A 3.9733 8.2123 120.9071 55.2381 18.4475 179.3334 83 Q 4.0461 8.5197 118.5119 59.2504 29.0966 178.3661 84 S 4.0927 8.2677 114.5003 61.5292 62.4713 176.6830 85 V 3.6843 7.9315 121.7510 65.1471 31.1728 178.2178 86 M 4.3672 8.6711 119.9018 57.7913 31.4878 178.7990 87 G 3.6915 7.8739 105.4945 47.7496 0.0000 175.3761 88 K 4.1140 7.6692 120.4586 58.9716 32.4486 177.5484 89 C 4.6414 8.3698 113.6930 56.0578 41.0059 173.4177 90 L 4.9408 7.1151 120.4753 51.6728 44.1336 174.6073 91 P 4.4984 0.0000 0.0000 62.4946 32.0204 176.4633 92 T 4.1581 8.1647 109.9769 62.1132 69.4487 173.5799 93 S 4.5685 7.7007 115.3966 56.6190 65.5993 174.0259 94 G 4.0287 7.8801 110.0066 45.5036 0.0000 172.2757 95 S 4.3012 8.1309 113.1297 59.6489 63.6628 173.7048 96 D 4.3329 7.2855 119.8167 51.8366 42.1131 176.2539 97 N 4.0540 8.0214 116.5914 56.4825 38.1780 178.4178 98 C 4.3577 7.9595 117.4454 60.0796 41.2421 175.4985 99 N 4.2966 9.0035 119.0110 56.4570 38.5024 177.0912 100 K 4.3032 8.2883 121.8490 59.0158 32.0965 179.3103 101 I 3.9306 7.6841 119.9595 63.9946 37.0503 177.4539 102 Y 4.1376 8.4270 121.0691 61.1900 38.5554 178.3580 103 N 3.9907 8.4066 117.1269 55.9735 38.4948 177.3084 104 L 3.7373 7.7730 121.5324 57.8337 42.1047 178.7391 105 A 2.0000 7.5648 121.0298 54.3677 18.0776 179.6844 106 K 3.5528 7.4462 116.9276 59.5396 31.9864 178.6186 107 C 4.0792 7.8485 118.5601 59.7433 40.5341 175.8764 108 V 3.5289 7.7470 120.0187 66.0645 30.9015 177.9892 109 Q 4.0617 7.9112 117.0010 59.0549 28.6213 178.1728 110 E 4.0663 8.2638 118.9036 59.1496 29.5301 178.7916 111 S 4.8131 7.5951 112.8090 58.7742 64.1566 174.2935 112 A 4.4471 8.6026 126.0251 50.8931 20.0468 174.4194 113 P 5.1162 0.0000 0.0000 63.8976 31.9582 175.9078 114 D 4.9674 8.2637 117.2181 55.4429 42.3232 177.5035 115 V 3.9765 7.7806 119.0167 64.1469 32.0757 175.6912 116 W 4.4739 8.2495 130.0956 55.9349 29.2731 174.0273 117 F 5.0537 8.3318 125.6589 55.7599 41.0482 174.8560 118 V 4.0524 7.5452 126.4130 60.7300 33.3141 175.6330 119 I 3.8941 8.1466 126.5849 61.6741 36.9869 175.7505 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 4 W 8.27 4.77 0.00 3.51 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 5 V 6.35 3.06 1.76 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 0.31 0.00 0.00 -0.30 0.00 0.00 6 P 0.00 4.59 0.00 2.43 2.19 0.00 3.68 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 2.06 2.00 0.00 7 P 0.00 4.77 0.00 2.23 2.21 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 8 E 8.39 4.47 0.00 2.07 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 2.25 2.35 0.00 9 V 7.88 3.49 1.82 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 0.68 0.00 0.00 0.82 0.00 0.00 10 F 8.16 4.01 0.00 3.23 3.14 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 11 D 8.17 4.60 0.00 2.91 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 12 L 7.24 3.99 0.00 1.74 1.70 0.95 0.76 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 13 V 7.49 4.22 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 0.97 0.00 0.00 1.31 0.00 0.00 14 A 7.52 4.04 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 15 E 8.16 3.90 0.00 2.07 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 2.39 2.42 0.00 16 D 8.11 4.33 0.00 2.89 2.57 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 17 K 8.69 4.04 0.00 1.91 2.14 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.69 7.81 18 A 8.24 4.01 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 19 R 8.19 3.84 0.00 1.90 2.14 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 C 8.61 4.40 0.00 3.09 3.12 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 21 M 8.60 4.19 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 1.97 0.00 22 S 7.99 4.12 0.00 3.89 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 0.00 23 E 8.41 4.06 0.00 1.91 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 2.30 2.50 0.00 24 H 7.96 4.92 0.00 3.28 3.36 0.00 5.72 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 25 G 8.09 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 26 T 7.78 4.24 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 0.79 0.00 0.00 27 T 8.52 4.62 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 28 Q 8.48 3.85 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 29 A 7.96 3.96 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 30 Q 8.08 3.96 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 31 I 7.39 3.65 1.91 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.81 0.00 0.00 32 D 8.32 4.38 0.00 2.84 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 33 D 8.02 4.28 0.00 3.00 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 34 V 7.64 3.98 2.28 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 1.62 0.00 0.00 1.12 0.00 0.00 35 N 8.12 4.49 0.00 2.92 3.00 0.00 0.00 7.11 6.89 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 36 K 7.78 4.38 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.67 7.81 37 G 8.41 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 38 N 8.41 4.83 0.00 3.15 2.78 0.00 0.00 6.36 7.55 0.00 0.00 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 L 8.38 4.67 0.00 1.57 1.52 1.08 0.91 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 40 V 8.30 4.50 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 0.79 0.00 0.00 0.93 0.00 0.00 41 N 7.97 3.75 0.00 1.44 2.30 0.00 0.00 6.90 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 42 E 7.42 4.51 0.00 1.98 1.83 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 2.27 2.29 0.00 43 P 0.00 4.50 0.00 2.16 2.12 0.00 3.85 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 2.10 1.99 0.00 44 S 8.10 4.67 0.00 4.15 4.11 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 45 I 7.64 4.27 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.40 1.03 0.00 0.00 46 T 8.18 4.09 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 C 8.60 4.42 0.00 3.01 2.91 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 0.00 0.00 0.00 48 Y 8.01 4.02 0.00 3.24 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 49 M 8.17 3.91 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.79 0.00 50 Y 7.99 4.02 0.00 3.13 3.12 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 51 C 8.46 3.91 0.00 3.09 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 L 7.33 3.21 0.00 1.26 1.13 0.58 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.44 3.80 0.00 1.63 1.58 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.62 3.61 0.00 1.28 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 2.15 2.33 0.00 55 A 7.17 3.84 0.94 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 0.00 0.00 56 F 7.05 4.89 0.00 2.97 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 57 S 7.95 3.79 0.00 4.03 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 58 L 8.44 4.48 0.00 1.77 1.72 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.26 4.94 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 0.84 0.00 0.00 0.55 0.00 0.00 60 D 8.32 4.95 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 61 D 8.74 4.66 0.00 2.85 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 62 E 8.39 5.20 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 2.17 2.22 0.00 63 A 8.33 4.12 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 64 N 8.48 4.53 0.00 3.15 2.79 0.00 0.00 6.66 7.24 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 65 V 8.27 4.39 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 0.87 0.00 0.00 1.04 0.00 0.00 66 D 8.93 4.62 0.00 2.72 2.58 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 67 E 8.48 3.96 0.00 2.10 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 2.39 2.42 0.00 68 D 8.11 4.30 0.00 2.88 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 69 I 7.50 3.70 1.89 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 1.41 0.71 0.92 0.00 0.00 70 M 8.33 4.17 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 71 L 8.60 4.07 0.00 1.65 1.66 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.89 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 0.00 0.00 0.00 73 L 7.61 4.29 0.00 1.82 1.76 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 L 6.98 4.13 0.00 1.49 1.02 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.27 0.00 2.28 2.14 0.00 2.54 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 76 D 8.95 4.32 0.00 2.76 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 77 Q 7.97 4.02 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 78 L 7.75 4.23 0.00 1.47 1.37 0.07 0.78 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 79 Q 7.52 3.88 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 80 E 8.01 3.92 0.00 1.98 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 2.37 2.33 0.00 81 R 7.90 3.85 0.00 1.85 2.02 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 82 A 8.21 3.97 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 83 Q 8.52 4.05 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 84 S 8.27 4.09 0.00 4.01 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 0.00 85 V 7.93 3.68 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 0.98 0.00 0.00 0.96 0.00 0.00 86 M 8.67 4.37 0.00 2.06 2.36 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 87 G 7.87 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 88 K 7.67 4.11 0.00 1.77 2.03 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 C 8.37 4.64 0.00 3.00 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 90 L 7.12 4.94 0.00 1.76 1.57 0.97 0.95 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 91 P 0.00 4.50 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 T 8.16 4.16 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 1.27 0.00 0.00 93 S 7.70 4.57 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 94 G 7.88 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 95 S 8.13 4.30 0.00 3.97 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 96 D 7.29 4.33 0.00 2.82 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 97 N 8.02 4.05 0.00 2.10 1.42 0.00 0.00 6.83 7.66 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 98 C 7.96 4.36 0.00 3.06 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 99 N 9.00 4.30 0.00 2.77 2.93 0.00 0.00 7.27 7.03 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 0.00 100 K 8.29 4.30 0.00 2.06 1.88 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 101 I 7.68 3.93 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.21 1.22 0.00 0.00 102 Y 8.43 4.14 0.00 3.00 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 0.00 103 N 8.41 3.99 0.00 2.91 2.77 0.00 0.00 6.76 6.87 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 0.00 104 L 7.77 3.74 0.00 1.73 1.67 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.56 2.00 0.64 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 0.00 106 K 7.45 3.55 0.00 1.48 1.56 0.00 1.51 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.79 0.48 7.81 107 C 7.85 4.08 0.00 2.99 3.09 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 0.00 108 V 7.75 3.53 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 1.18 0.00 0.00 0.98 0.00 0.00 109 Q 7.91 4.06 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 110 E 8.26 4.07 0.00 2.11 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 2.32 2.32 0.00 111 S 7.60 4.81 0.00 3.80 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 0.00 112 A 8.60 4.45 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 0.00 113 P 0.00 5.12 0.00 2.24 2.36 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 114 D 8.26 4.97 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 0.00 115 V 7.78 3.98 2.27 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 0.85 0.00 0.00 0.97 0.00 0.00 116 W 8.25 4.47 0.00 3.57 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 0.00 117 F 8.33 5.05 0.00 2.92 2.67 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 0.00 118 V 7.55 4.05 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 1.00 0.00 0.00 1.01 0.00 0.00 119 I 8.15 3.89 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.86 0.00 0.00