NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4086 8.3049 120.3479 55.1080 33.4308 174.8963 2 L 4.1619 8.2422 124.7269 52.8809 42.7368 175.4797 3 T 4.1616 8.6665 112.7302 63.3621 70.7216 174.6588 4 D 4.6531 7.5442 122.5913 50.2712 42.3577 173.3783 5 P 4.1818 0.0000 0.0000 65.6552 31.5048 178.2303 6 I 3.5609 7.7939 117.5873 64.0210 37.0134 178.2780 7 A 3.8721 7.8861 120.7729 54.9986 18.2300 178.8368 8 D 4.2132 8.1934 116.9320 57.8417 41.2220 178.4337 9 M 3.8791 8.2007 118.5575 58.6414 32.2345 177.8770 10 L 3.8585 8.0562 119.4853 58.2641 41.7745 179.8793 11 T 3.7635 8.4031 115.5770 66.6231 68.4135 176.6872 12 R 3.8665 8.2622 120.4554 59.5952 30.0918 179.0701 13 I 3.5977 7.7043 118.9837 64.3525 36.9200 178.2447 14 R 3.7622 7.8487 118.4540 59.6827 30.2219 177.9716 15 N 4.4137 8.7628 116.0823 56.2041 38.5928 177.3273 16 A 4.0104 7.9964 122.4647 55.3726 18.0797 179.7790 17 T 4.0397 8.0872 108.1539 64.7331 68.4517 176.1227 18 R 4.0285 7.4517 118.3961 57.0201 30.2033 177.1723 19 V 4.4734 7.2860 111.9095 60.4667 32.7094 175.2072 20 Y 3.4376 6.7535 113.9803 56.8594 35.8832 171.5386 21 K 4.0447 7.2329 117.1873 56.8639 32.7383 176.8826 22 E 4.3683 8.6069 120.5484 58.1868 30.6652 176.3229 23 S 5.4112 7.8919 116.0825 58.2902 66.5625 172.1142 24 T 4.5758 7.1711 120.7004 62.5614 71.4597 173.2701 25 D 5.1692 8.6388 129.0818 54.3754 42.5900 176.2218 26 V 4.4233 8.0366 116.8747 59.9716 35.0215 171.2615 27 P 3.4535 0.0000 0.0000 62.8247 31.6917 175.7033 28 A 4.4702 8.1894 125.9535 51.5077 19.7746 177.1761 29 S 4.5518 8.3809 113.9260 55.8277 66.2669 174.9493 30 R 3.9087 8.9897 123.7482 59.8325 29.8247 178.5274 31 F 4.5206 8.3817 119.3056 61.6196 39.1823 177.1830 32 K 3.5532 8.3916 118.1444 59.2633 31.7963 178.6857 33 E 3.5745 8.1923 119.6427 59.3593 29.2616 178.4758 34 E 3.9961 8.3771 117.3529 59.7287 29.8310 179.3967 35 I 3.7977 7.5887 119.2892 64.3281 37.1115 178.1392 36 L 3.8019 7.8452 120.2500 58.1346 41.4359 179.4134 37 R 4.0522 8.0836 118.2461 59.8843 29.8040 178.5041 38 I 3.7733 7.9859 119.2125 64.5166 37.2347 178.0362 39 L 4.1986 8.1819 119.1182 58.2128 41.3748 179.4855 40 A 4.0015 8.5408 120.6482 55.1313 18.2324 179.3046 41 R 3.8105 7.9036 116.3079 59.8035 30.0591 177.6578 42 E 3.9571 8.8390 113.9648 56.4719 30.0051 176.3936 43 G 3.6737 8.2320 107.5968 46.5439 0.0000 173.5878 44 F 4.7878 8.8498 116.0682 57.3543 41.8431 176.3856 45 I 4.7876 7.4319 111.5751 58.5664 40.6834 175.5011 46 K 4.1565 9.4362 122.1541 57.7459 32.5064 177.9830 47 G 4.0495 7.4653 104.5357 47.2569 0.0000 169.0848 48 Y 5.2502 7.6974 118.1847 57.3627 40.8942 172.9752 49 E 4.5177 8.7348 114.7754 55.9796 33.3338 175.3539 50 R 4.8110 8.6057 120.6039 54.8359 29.1357 176.4554 51 V 4.1203 8.1009 123.5585 62.0856 34.0299 174.0093 52 D 4.9948 8.5753 123.6168 52.6609 42.9406 175.6695 53 V 3.9360 8.3086 124.1473 62.6049 32.5902 175.4848 54 D 4.4367 9.7488 126.0348 55.1252 39.6366 174.4121 55 G 4.1193 8.4308 106.7550 44.9581 0.0000 174.5169 56 K 4.5137 8.0501 119.8883 54.1458 33.6878 173.9764 57 P 4.7491 0.0000 0.0000 63.5456 32.5591 174.7874 58 Y 5.1224 8.8557 123.1554 56.2978 42.7916 174.6497 59 L 5.4930 8.5413 119.2286 53.1567 44.3080 176.3362 60 R 4.2311 8.7168 122.9931 56.6355 31.9025 176.1075 61 V 4.5800 8.0686 120.2115 61.5084 34.9127 174.2072 62 Y 4.6416 9.0647 127.8813 57.2585 38.3386 175.7236 63 L 4.5644 8.3291 124.7103 54.3169 42.8566 176.6825 64 K 4.7666 7.9011 118.4310 55.1366 36.0717 175.2267 65 Y 4.7934 8.3359 118.1921 56.4530 42.9919 176.3180 66 G 3.9197 9.2687 110.6537 44.9939 0.0000 171.0016 67 P 4.8958 0.0000 0.0000 60.6893 33.5152 175.3499 68 R 3.8930 8.5315 120.7432 57.5625 30.2538 176.1860 69 R 4.5181 8.4956 125.5767 55.3009 32.3822 175.5173 70 Q 4.4170 8.5141 119.0273 55.4632 31.1038 177.1611 71 G 3.8505 8.3981 106.7616 44.4055 0.0000 171.5255 72 P 4.2309 0.0000 0.0000 63.7654 31.9152 174.7018 73 D 4.2426 8.4815 121.3945 54.5125 38.5822 171.2269 74 P 4.5957 0.0000 0.0000 62.4561 32.3146 176.9581 75 R 3.9337 7.5992 118.5592 56.3651 30.2448 174.9523 76 P 4.4364 0.0000 0.0000 62.9491 32.3109 175.8123 77 E 4.3680 8.8535 122.6267 56.3920 31.1990 175.2752 78 Q 4.7328 8.3787 122.4347 54.7876 29.7017 176.5182 79 V 3.7453 8.4912 122.7875 65.4944 32.2652 176.5505 80 I 4.2830 7.2611 122.1053 60.2354 35.6122 175.4550 81 H 4.5174 8.5972 118.3395 56.7277 29.0834 174.9784 82 H 3.9161 7.2924 115.7506 55.2889 33.5542 173.0482 83 I 4.0748 7.6494 124.6317 60.3768 38.9744 172.0969 84 R 4.4798 7.9429 128.1363 53.7083 32.4559 174.7695 85 R 3.7966 8.5322 127.1355 58.2709 30.5074 173.5758 86 I 3.8873 8.3231 127.9872 62.1150 37.3034 177.1598 87 S 4.2099 5.8100 117.0168 59.5244 63.9171 173.8972 88 K 4.9433 8.4705 125.3737 53.3056 35.8729 174.2446 89 P 4.3116 0.0000 0.0000 63.9570 31.5715 175.8663 90 G 3.8694 8.5731 105.9248 44.9364 0.0000 174.0573 91 R 5.4984 7.4130 130.9042 56.7531 31.6439 173.7424 92 R 4.2958 7.1980 117.2031 55.8776 31.3605 177.2875 93 V 4.1481 7.4177 119.3251 61.6730 34.4170 173.3649 94 Y 5.3905 8.6118 125.2927 56.4150 40.5863 175.7354 95 V 4.7218 8.8904 115.4224 59.4917 36.1669 175.7379 96 G 4.1132 9.5133 112.7255 44.5728 0.0000 175.2142 97 V 3.6426 8.4718 120.3400 64.3992 31.0638 177.4527 98 K 4.2329 8.0039 116.7648 57.7289 32.9702 176.8774 99 E 4.4848 9.3175 118.3031 56.5841 30.9491 176.5372 100 I 3.6752 7.8661 119.2968 61.2283 37.5079 173.9678 101 P 4.5997 0.0000 0.0000 62.4755 32.2708 176.7051 102 R 4.3652 7.9700 116.5698 53.3239 28.6412 173.5093 103 V 3.4060 8.1132 123.5718 65.1176 32.1731 175.0722 104 R 3.7731 9.0472 122.8078 59.8671 26.7747 177.0334 105 R 3.6823 8.3936 117.6211 57.0424 28.1065 177.1148 106 G 4.1029 8.0619 111.9265 45.8635 0.0000 176.2525 107 L 4.3493 8.3721 118.0582 55.9653 41.7388 177.1609 108 G 4.4289 7.5895 106.2205 43.5614 0.0000 172.8862 109 I 4.4527 8.3531 115.2440 60.3725 40.7244 174.9389 110 A 5.2218 8.2408 119.3209 51.1480 19.4893 175.5093 111 I 3.8609 7.8849 121.6444 61.6747 38.8133 175.1245 112 L 4.7068 8.7263 124.7428 54.6578 44.3585 174.1118 113 S 5.0253 8.9274 116.9563 57.5332 64.1769 172.9934 114 T 5.2565 8.8763 116.7498 59.5313 72.1568 174.9103 115 S 4.1717 8.8419 115.2337 60.4555 63.2098 174.9382 116 K 4.2916 7.9071 120.1220 56.2255 32.0613 176.2321 117 G 3.7248 8.0984 106.9188 44.0581 0.0000 172.1674 118 V 4.7459 8.0787 119.1777 61.7905 32.2639 175.8801 119 L 5.0609 8.9544 127.6953 54.1205 44.5837 175.6763 120 T 4.5563 8.6269 110.7909 61.4802 70.1319 174.9975 121 D 4.3963 8.8016 121.2621 56.5445 39.3204 178.4604 122 R 3.9073 8.0411 119.0830 59.4594 30.0717 178.1577 123 E 3.9337 8.3649 117.7278 59.2694 29.4847 179.0420 124 A 3.9697 8.5954 120.6551 55.7029 18.5094 179.4966 125 R 3.8501 8.4733 116.9705 59.6139 29.8631 178.2529 126 K 3.9313 8.0118 118.3914 59.7361 32.2742 178.2319 127 L 4.2824 8.1504 115.4230 53.8739 42.5682 177.6978 128 G 4.0554 7.9976 107.1819 46.3435 0.0000 173.2010 129 V 4.5593 8.0765 109.4210 59.8629 36.6625 175.9735 130 G 4.4379 9.3021 110.6870 45.8854 0.0000 171.5032 131 G 4.1860 7.4000 105.2311 45.3061 0.0000 170.2924 132 E 4.4356 8.2916 121.2292 56.1034 30.1697 177.0899 133 L 4.4371 9.4222 130.4702 55.5225 42.9530 177.1453 134 I 4.5050 8.7897 124.3486 60.7871 40.4714 175.3240 135 C 5.6575 7.1187 121.6490 57.5806 32.9617 174.1083 136 E 4.2731 8.1938 122.4962 56.0067 30.8876 177.4093 137 V 4.3466 7.6834 117.4113 61.6593 32.2363 173.5612 138 W 4.4826 7.9172 121.3881 56.7709 28.1370 175.9806 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 M 8.30 4.41 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.24 4.16 0.00 1.73 1.55 0.94 0.55 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 3 T 8.67 4.16 4.23 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 1.20 0.00 0.00 4 D 7.54 4.65 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.18 2.06 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 6 I 7.79 3.56 1.80 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 0.71 0.00 0.00 7 A 7.89 3.87 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 8 D 8.19 4.21 0.00 2.74 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 9 M 8.20 3.88 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 10 L 8.06 3.86 0.00 1.72 1.58 0.80 0.46 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 11 T 8.40 3.76 4.31 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 1.15 0.00 0.00 12 R 8.26 3.87 0.00 2.00 1.97 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.70 3.60 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.81 0.00 0.00 14 R 7.85 3.76 0.00 1.75 1.98 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 15 N 8.76 4.41 0.00 2.68 2.81 0.00 0.00 6.95 8.42 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 16 A 8.00 4.01 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 17 T 8.09 4.04 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 1.09 0.00 0.00 18 R 7.45 4.03 0.00 1.89 1.94 0.00 3.01 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 19 V 7.29 4.47 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 0.84 0.00 0.00 1.02 0.00 0.00 20 Y 6.75 3.44 0.00 2.90 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 0.00 0.00 0.00 0.00 21 K 7.23 4.04 0.00 1.78 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.55 7.81 22 E 8.61 4.37 0.00 2.13 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 0.00 2.50 2.59 0.00 23 S 7.89 5.41 0.00 3.22 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 24 T 7.17 4.58 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 1.20 0.00 0.00 25 D 8.64 5.17 0.00 2.64 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 26 V 8.04 4.42 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 0.60 0.00 0.00 0.80 0.00 0.00 27 P 0.00 3.45 0.00 1.70 1.61 0.00 3.50 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 1.86 1.65 0.00 28 A 8.19 4.47 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 29 S 8.38 4.55 0.00 3.98 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 30 R 8.99 3.91 0.00 1.91 2.12 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 31 F 8.38 4.52 0.00 3.00 3.03 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 32 K 8.39 3.55 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.30 7.81 33 E 8.19 3.57 0.00 1.97 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 0.00 2.39 2.31 0.00 34 E 8.38 4.00 0.00 2.25 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 0.00 2.63 2.65 0.00 35 I 7.59 3.80 1.72 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.77 0.00 0.00 36 L 7.85 3.80 0.00 1.37 1.28 0.39 0.64 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 37 R 8.08 4.05 0.00 2.11 2.16 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 38 I 7.99 3.77 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 1.00 0.00 0.00 39 L 8.18 4.20 0.00 1.92 1.86 0.84 0.94 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 40 A 8.54 4.00 1.48 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 0.00 0.00 0.00 41 R 7.90 3.81 0.00 1.95 2.19 0.00 3.30 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 42 E 8.84 3.96 0.00 2.02 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 2.56 2.58 0.00 43 G 8.23 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 0.00 0.00 0.00 44 F 8.85 4.79 0.00 3.17 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 45 I 7.43 4.79 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.95 0.00 0.00 46 K 9.44 4.16 0.00 1.95 1.95 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.62 7.81 47 G 7.47 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 48 Y 7.70 5.25 0.00 3.29 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 49 E 8.73 4.52 0.00 2.06 2.04 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 2.44 2.39 0.00 50 R 8.61 4.81 0.00 1.77 2.02 0.00 3.39 0.00 0.00 3.87 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 51 V 8.10 4.12 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 1.00 0.00 0.00 1.01 0.00 0.00 52 D 8.58 4.99 0.00 2.57 2.60 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 0.00 0.00 0.00 0.00 53 V 8.31 3.94 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 0.68 0.00 0.00 0.65 0.00 0.00 54 D 9.75 4.44 0.00 2.67 2.60 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 0.00 0.00 0.00 0.00 55 G 8.43 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 0.00 0.00 0.00 0.00 56 K 8.05 4.51 0.00 2.08 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.60 7.81 57 P 0.00 4.75 0.00 2.14 2.25 0.00 3.69 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 2.06 2.02 0.00 58 Y 8.86 5.12 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 59 L 8.54 5.49 0.00 1.52 1.55 0.75 1.01 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 60 R 8.72 4.23 0.00 1.70 1.38 0.00 3.14 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 61 V 8.07 4.58 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 0.96 0.00 0.00 0.95 0.00 0.00 62 Y 9.06 4.64 0.00 3.13 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 63 L 8.33 4.56 0.00 1.42 1.24 0.91 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.90 4.77 0.00 1.48 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.45 7.81 65 Y 8.34 4.79 0.00 3.06 3.03 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 66 G 9.27 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 67 P 0.00 4.90 0.00 2.10 2.08 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 68 R 8.53 3.89 0.00 1.80 1.92 0.00 3.17 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 69 R 8.50 4.52 0.00 1.76 1.88 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 70 Q 8.51 4.42 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 71 G 8.40 3.85 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 0.00 0.00 0.00 72 P 0.00 4.23 0.00 2.19 2.07 0.00 3.93 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.48 4.24 0.00 2.82 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 74 P 0.00 4.60 0.00 2.20 2.23 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 75 R 7.60 3.93 0.00 1.99 1.88 0.00 3.45 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 76 P 0.00 4.44 0.00 2.17 2.22 0.00 2.73 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 77 E 8.85 4.37 0.00 2.13 1.89 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 2.39 2.42 0.00 78 Q 8.38 4.73 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 79 V 8.49 3.75 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 0.86 0.00 0.00 0.94 0.00 0.00 80 I 7.26 4.28 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.73 0.00 0.00 81 H 8.60 4.52 0.00 3.12 3.45 0.00 5.93 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.29 3.92 0.00 1.40 1.31 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.65 4.07 1.56 0.00 0.00 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 1.03 0.45 0.68 0.00 0.00 84 R 7.94 4.48 0.00 1.75 1.69 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 85 R 8.53 3.80 0.00 1.78 1.76 0.00 3.38 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 86 I 8.32 3.89 1.84 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 1.11 0.70 0.88 0.00 0.00 87 S 5.81 4.21 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 88 K 8.47 4.94 0.00 1.72 1.62 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 89 P 0.00 4.31 0.00 2.17 2.06 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 90 G 8.57 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 91 R 7.41 5.50 0.00 1.91 1.88 0.00 3.32 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 92 R 7.20 4.30 0.00 1.82 1.34 0.00 3.23 0.00 0.00 4.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 93 V 7.42 4.15 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 0.96 0.00 0.00 0.91 0.00 0.00 94 Y 8.61 5.39 0.00 2.86 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 95 V 8.89 4.72 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 96 G 9.51 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 0.00 0.00 0.00 97 V 8.47 3.64 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 0.78 0.00 0.00 0.94 0.00 0.00 98 K 8.00 4.23 0.00 1.90 1.98 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 E 9.32 4.48 0.00 2.26 2.04 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 2.27 2.26 0.00 100 I 7.87 3.68 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.94 0.00 0.00 101 P 0.00 4.60 0.00 2.20 2.06 0.00 3.75 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 2.01 1.97 0.00 102 R 7.97 4.37 0.00 1.91 1.98 0.00 3.05 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 103 V 8.11 3.41 2.41 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 1.21 0.00 0.00 1.06 0.00 0.00 104 R 9.05 3.77 0.00 1.86 1.69 0.00 2.83 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.00 105 R 8.39 3.68 0.00 1.83 2.20 0.00 3.30 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 106 G 8.06 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.37 4.35 0.00 1.62 1.77 0.90 1.04 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 0.00 108 G 7.59 4.43 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 0.00 109 I 8.35 4.45 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 1.25 0.00 0.00 110 A 8.24 5.22 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 0.00 111 I 7.88 3.86 1.85 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 1.43 0.68 0.92 0.00 0.00 112 L 8.73 4.71 0.00 1.90 1.88 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.93 5.03 0.00 4.03 3.80 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 0.00 114 T 8.88 5.26 4.35 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 1.27 0.00 0.00 115 S 8.84 4.17 0.00 3.99 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 0.00 116 K 7.91 4.29 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.37 7.81 117 G 8.10 3.72 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 0.00 0.00 0.00 118 V 8.08 4.75 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 0.95 0.00 0.00 1.16 0.00 0.00 119 L 8.95 5.06 0.00 1.75 1.90 0.96 0.53 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 0.00 120 T 8.63 4.56 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 1.33 0.00 0.00 121 D 8.80 4.40 0.00 2.92 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 0.00 122 R 8.04 3.91 0.00 1.87 2.05 0.00 3.32 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 123 E 8.36 3.93 0.00 2.31 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 2.36 2.37 0.00 124 A 8.60 3.97 1.47 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 0.00 0.00 125 R 8.47 3.85 0.00 1.95 2.16 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 126 K 8.01 3.93 0.00 1.92 2.03 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 127 L 8.15 4.28 0.00 1.66 1.69 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.00 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 0.00 129 V 8.08 4.56 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 0.79 0.00 0.00 0.95 0.00 0.00 130 G 9.30 4.44 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 0.00 131 G 7.40 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 0.00 0.00 0.00 0.00 132 E 8.29 4.44 0.00 2.34 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 2.29 1.89 0.00 133 L 9.42 4.44 0.00 1.73 1.48 0.93 0.86 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 0.00 134 I 8.79 4.50 2.09 0.00 0.00 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 1.51 1.28 0.88 0.00 0.00 135 C 7.12 5.66 0.00 3.10 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 0.00 136 E 8.19 4.27 0.00 2.02 2.06 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 2.47 2.35 0.00 137 V 7.68 4.35 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 0.10 0.00 0.00 0.75 0.00 0.00 138 W 7.92 4.48 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