NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4525 8.1927 115.4143 57.7871 64.6101 174.2563 3 V 3.3819 8.1808 119.7131 65.3434 31.1894 175.9805 4 Y 4.0149 8.8173 120.2267 60.6072 38.8612 177.1155 5 D 4.2372 7.8872 118.7232 57.2871 41.3867 178.2662 6 A 4.0431 7.8301 120.7039 55.0807 18.4738 179.4801 7 A 3.7547 8.0622 119.1434 55.2778 18.3190 179.6663 8 A 3.8449 7.7529 117.4075 54.3770 18.3961 179.0338 9 Q 4.2255 7.4200 114.9433 56.1903 29.0648 176.1144 10 L 3.8639 7.1849 120.6830 55.0266 41.7438 177.7713 11 T 4.3288 8.1447 114.7455 60.1717 71.9367 175.3320 12 A 3.9480 8.3217 122.2130 55.3957 18.2947 179.4707 13 D 4.2926 7.9637 117.1734 56.4605 39.5784 178.8697 14 V 3.4865 7.3367 119.1308 65.6927 31.4614 178.2086 15 K 3.8532 8.2883 118.6598 59.0867 31.7349 179.2320 16 K 3.9174 8.0902 119.9275 59.7594 32.1649 178.6590 17 D 4.5495 8.1118 119.1028 57.2231 40.5809 178.8351 18 L 3.7066 7.9724 119.5510 57.8060 41.6330 179.7953 19 R 4.0420 8.1846 118.1140 59.3899 28.4345 178.8726 20 D 4.4865 8.5544 119.2660 57.5151 40.8005 179.1036 21 S 3.1652 8.2074 114.7876 60.6975 62.9725 176.3103 22 W 4.2831 8.7243 132.0730 60.0124 30.1976 178.0157 23 K 3.8694 8.0709 118.1013 58.9462 31.8145 178.8142 24 V 3.8572 7.0012 117.2194 65.4393 31.6545 178.2310 25 I 3.6948 7.7357 112.9740 63.3356 37.2098 177.4591 26 G 2.0000 6.9197 105.7467 44.8446 0.0000 175.1526 27 S 4.2577 7.1764 115.6908 59.3031 64.4522 173.8691 28 D 4.7379 7.0140 122.1176 51.2739 40.9864 175.6991 29 K 3.8912 7.9509 123.0512 58.6692 32.5016 178.4041 30 K 4.0122 7.9739 119.5104 59.3863 32.2886 178.9961 31 G 3.5691 8.1402 107.1841 47.5908 0.0000 175.5353 32 N 4.4976 8.3971 119.7883 55.1528 38.4847 178.0547 33 G 3.4974 8.0098 107.6740 47.7900 0.0000 176.0965 34 V 3.5879 7.7477 120.8290 65.4113 31.5203 177.9237 35 A 4.0248 7.8322 121.9691 54.3929 18.2023 179.4851 36 L 3.7842 7.8529 117.3618 58.2589 41.7712 179.7165 37 M 3.5121 7.7342 118.5452 58.4784 31.4739 179.0655 38 T 4.0140 8.1369 110.2412 65.0816 68.7942 176.7350 39 T 3.8983 7.8993 118.6740 66.0963 68.3307 176.4333 40 L 3.7925 7.6001 122.3061 58.2759 41.8547 179.2041 41 F 4.4891 7.4251 116.0861 60.2611 38.8280 177.4209 42 A 4.1771 7.8164 120.0081 55.3161 18.3799 179.0421 43 D 4.6102 8.1514 115.7993 55.4989 42.6530 176.8139 44 N 5.1679 8.3186 116.5794 50.4423 39.1451 174.7781 45 Q 4.2346 8.1892 120.5924 58.7109 29.0482 177.8940 46 E 4.1741 8.2510 117.1056 58.4742 30.0776 178.0456 47 T 4.5611 8.2465 110.4643 63.0302 69.4465 176.5564 48 I 3.7637 7.8502 123.6864 64.7054 36.8988 178.1373 49 G 3.6403 8.0454 104.7759 48.0943 0.0000 174.8481 50 Y 4.3958 7.7289 117.5713 59.9636 38.0423 176.6831 51 F 4.8735 8.2727 118.6939 56.8181 39.8542 178.0115 52 K 3.9554 8.2559 123.1106 59.8950 32.3655 178.7810 53 R 3.9407 8.0167 118.7714 59.1067 30.0738 177.0051 54 L 4.2399 8.0190 115.8046 55.0114 42.6164 179.0914 55 G 3.7782 7.6696 106.4480 46.2779 0.0000 176.1226 56 D 4.4869 8.3629 119.7811 53.6921 40.6825 177.1817 57 V 3.7843 7.9323 120.2266 62.9266 31.5637 177.3409 58 S 4.4034 7.7094 113.0452 59.9142 63.2475 175.5259 59 Q 4.1552 8.1162 121.7335 56.2044 28.9654 177.1317 60 G 3.8754 8.4978 109.3541 46.3234 0.0000 176.5033 61 M 3.9775 8.9675 121.8040 58.2769 32.0481 177.1941 62 A 3.9894 7.5825 120.7577 54.3453 18.8685 177.3182 63 N 4.5348 8.1412 115.0377 53.0810 39.1697 174.9921 64 D 4.3950 8.6893 129.7855 56.6270 39.4398 178.6299 65 K 4.0231 8.1197 119.3521 59.0976 32.0798 178.9589 66 L 4.0739 8.4108 120.7729 57.9674 42.0026 179.0256 67 R 3.9985 8.3254 119.0292 59.3735 30.1535 178.7484 68 G 3.6621 8.3323 105.6890 47.9900 0.0000 175.1787 69 H 4.2146 8.4048 120.6318 59.2228 29.8386 177.5681 70 S 4.0836 8.4543 117.2724 61.6302 62.4181 176.8382 71 I 3.7764 7.7158 121.3935 64.8197 37.2884 178.3465 72 T 4.1972 7.9579 116.4246 66.5471 68.3495 176.4591 73 L 3.8833 8.1822 122.5307 58.3981 42.1015 178.9872 74 M 4.2341 7.9517 118.3289 58.1745 31.7896 177.9503 75 Y 4.0744 7.9571 116.1888 59.9414 38.1410 177.7070 76 A 3.8370 7.4898 123.3158 54.3220 18.2580 179.6573 77 L 3.5165 7.3641 117.0297 57.5210 41.6333 179.2274 78 Q 3.5214 7.7323 119.5820 58.9284 28.7642 177.7841 79 N 4.2966 7.9078 116.9383 56.8196 39.3334 176.3706 80 F 4.6527 7.7698 118.8891 60.9295 38.6779 177.6947 81 I 3.5518 7.7015 119.3593 64.5736 36.6201 178.2894 82 D 4.4603 8.1866 118.4369 56.5359 41.0084 177.7117 83 Q 4.4521 7.6717 116.6784 55.7326 28.7645 177.1144 84 L 3.9235 7.3560 121.4423 57.9226 41.7844 177.9261 85 D 4.4933 7.9240 115.2783 55.1328 41.4654 176.4895 86 N 4.8303 7.8899 117.8844 50.1502 39.6996 171.9291 87 P 4.1853 0.0000 0.0000 65.7393 31.4276 177.7310 88 D 4.5522 8.2562 117.3378 57.3948 40.7733 178.5340 89 D 4.3946 8.2326 119.0712 56.9254 40.9463 178.3198 90 L 3.9691 8.0812 120.9787 58.2046 42.1065 179.1717 91 V 3.5711 8.2342 118.8502 66.1854 31.0452 177.7727 92 C 4.1987 7.9737 114.2494 61.1399 29.5203 176.1674 93 V 3.7092 7.8011 114.5551 63.7706 31.2250 178.6290 94 V 3.8141 8.1164 118.4089 66.2084 31.4460 178.0479 95 E 3.9820 8.4094 118.2959 58.8828 28.9686 179.3626 96 K 3.8439 7.3864 118.7240 59.8735 32.1821 178.4149 97 Y 4.7312 8.2741 117.9091 60.2318 37.6563 178.2445 98 A 3.9896 8.2505 122.2893 55.1673 18.5105 179.6896 99 V 3.5584 7.7909 116.6101 66.3496 31.0125 177.9396 100 N 4.3781 7.9811 115.4708 56.3244 38.2768 176.6235 101 H 4.4796 8.0433 116.5256 57.8424 29.3635 177.4936 102 I 3.7362 8.1792 122.5223 64.4958 36.7026 178.5291 103 T 3.8387 7.9189 108.9658 64.0987 68.6890 175.1117 104 R 4.3392 7.7916 118.7778 55.0583 30.3318 175.8822 105 K 3.7966 7.8087 116.3659 57.4043 30.0159 175.6728 106 I 4.0063 7.7508 120.1086 60.2097 37.7569 177.3053 107 S 4.4934 8.7619 121.2215 57.3894 65.4372 175.0679 108 A 3.9788 8.4792 123.3077 55.3391 17.8557 179.7554 109 A 4.0256 7.9366 117.7017 55.4270 18.8429 179.2737 110 E 4.1341 8.2291 116.7719 59.4787 29.6162 179.3307 111 F 4.1751 8.6820 121.0712 61.0387 39.4687 177.0997 112 G 3.8752 8.1561 104.2104 46.6144 0.0000 175.2853 113 K 4.1779 7.9936 120.7733 58.5945 32.0426 178.5145 114 I 3.5778 7.5764 118.8771 63.2096 37.6888 177.2853 115 N 4.4720 8.2189 117.9976 56.2318 38.2819 177.2643 116 G 3.6529 7.6447 106.6777 47.4786 0.0000 173.8546 117 P 4.1968 0.0000 0.0000 65.0466 31.2671 178.7506 118 I 3.4770 7.7215 118.4721 64.1479 37.0068 178.2663 119 K 3.8959 8.1405 120.4527 59.5707 31.9824 178.9896 120 K 3.9709 8.0233 118.6685 59.4161 31.5364 179.5757 121 V 3.5325 7.9584 118.7743 65.8316 31.3392 178.0388 122 L 3.8451 8.1541 118.8097 57.8864 41.4570 179.3562 123 A 4.1333 8.2023 120.8567 55.1734 18.0329 179.7848 124 S 4.1154 7.9311 111.9432 60.5494 62.9525 175.9018 125 K 4.4171 7.1017 119.9106 55.5262 32.3896 175.8159 126 N 4.1370 7.8966 114.5833 54.1888 36.3065 173.9372 127 F 4.3117 8.1878 117.9203 56.2217 40.0063 177.0787 128 G 4.1411 8.6279 114.3606 43.9565 0.0000 172.4205 129 D 4.5021 8.9181 118.7876 57.7660 40.8989 178.8200 130 K 3.8595 8.1690 119.1979 59.9090 32.1629 178.2833 131 Y 4.1217 8.1251 116.2071 60.8956 37.9689 177.8378 132 A 4.2392 8.2791 121.9129 55.3604 18.6074 179.4777 133 N 4.3734 8.7527 115.2346 56.2010 38.4301 177.5492 134 A 3.9298 7.8978 121.8926 55.0914 18.4538 179.8144 135 W 3.8636 8.4974 117.2078 59.6898 29.0967 178.6784 136 A 4.4418 8.1864 122.2294 54.5295 17.5315 179.8597 137 K 3.9572 7.6616 116.1545 59.3269 32.3533 179.0721 138 L 3.9330 7.5527 120.9269 58.0696 42.0392 179.1068 139 V 3.7711 8.1775 118.1875 66.0510 31.4603 177.8426 140 A 4.6285 8.0574 121.6840 54.3301 17.8851 179.7978 141 V 3.4436 7.3536 116.6571 66.0814 31.8150 178.1163 142 V 3.5472 7.5328 117.5914 65.8922 31.5180 177.8734 143 Q 3.8624 8.0529 117.6524 58.7057 28.2907 178.4733 144 A 4.0787 7.8439 120.4364 53.9369 18.4623 178.3251 145 A 4.4130 7.6656 117.3627 51.9839 19.5731 177.0276 146 L 4.2064 7.5551 122.8765 54.6437 42.0203 176.3064 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 8.19 4.45 0.00 4.06 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 3 V 8.18 3.38 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 1.08 0.00 0.00 0.90 0.00 0.00 4 Y 8.82 4.01 0.00 3.06 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 5 D 7.89 4.24 0.00 2.92 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 6 A 7.83 4.04 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 7 A 8.06 3.75 1.20 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 0.00 0.00 0.00 8 A 7.75 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.42 4.23 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 10 L 7.18 3.86 0.00 1.63 1.52 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.14 4.33 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 1.16 0.00 0.00 12 A 8.32 3.95 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 13 D 7.96 4.29 0.00 2.83 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 14 V 7.34 3.49 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 0.88 0.00 0.00 0.85 0.00 0.00 15 K 8.29 3.85 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.56 7.81 16 K 8.09 3.92 0.00 1.97 1.99 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 17 D 8.11 4.55 0.00 2.82 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 18 L 7.97 3.71 0.00 1.65 1.27 0.56 -0.51 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 19 R 8.18 4.04 0.00 2.02 2.05 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 20 D 8.55 4.49 0.00 3.00 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 21 S 8.21 3.17 0.00 3.39 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 4.28 0.00 3.78 3.38 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 23 K 8.07 3.87 0.00 2.02 1.88 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 24 V 7.00 3.86 2.31 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 1.14 0.00 0.00 1.11 0.00 0.00 25 I 7.74 3.69 1.62 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.30 0.77 0.00 0.00 26 G 6.92 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.18 4.26 0.00 3.96 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 28 D 7.01 4.74 0.00 2.53 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 0.00 0.00 0.00 0.00 29 K 7.95 3.89 0.00 1.75 1.72 0.00 1.18 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.38 7.81 30 K 7.97 4.01 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.14 3.57 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 0.00 0.00 0.00 32 N 8.40 4.50 0.00 2.68 2.73 0.00 0.00 7.00 8.23 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 33 G 8.01 3.50 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 0.00 0.00 0.00 0.00 34 V 7.75 3.59 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 1.06 0.00 0.00 0.96 0.00 0.00 35 A 7.83 4.02 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 36 L 7.85 3.78 0.00 1.82 1.57 0.80 0.58 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 37 M 7.73 3.51 0.00 1.70 1.97 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 38 T 8.14 4.01 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 1.29 0.00 0.00 39 T 7.90 3.90 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 1.18 0.00 0.00 40 L 7.60 3.79 0.00 1.45 1.19 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.43 4.49 0.00 3.18 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 42 A 7.82 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.61 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 5.17 0.00 2.96 2.92 0.00 0.00 6.86 8.38 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 45 Q 8.19 4.23 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 46 E 8.25 4.17 0.00 2.13 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 2.38 2.38 0.00 47 T 8.25 4.56 4.78 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 1.44 0.00 0.00 48 I 7.85 3.76 1.91 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 1.12 0.81 0.73 0.00 0.00 49 G 8.05 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 50 Y 7.73 4.40 0.00 3.01 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 51 F 8.27 4.87 0.00 3.20 3.10 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 52 K 8.26 3.96 0.00 1.94 2.09 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.46 7.81 53 R 8.02 3.94 0.00 1.82 2.06 0.00 3.27 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.02 4.24 0.00 1.84 1.75 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.67 3.78 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 0.00 0.00 0.00 56 D 8.36 4.49 0.00 2.70 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 57 V 7.93 3.78 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 0.68 0.00 0.00 0.29 0.00 0.00 58 S 7.71 4.40 0.00 3.96 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 59 Q 8.12 4.16 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 60 G 8.50 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 0.00 0.00 0.00 61 M 8.97 3.98 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.58 3.99 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 63 N 8.14 4.53 0.00 2.80 2.90 0.00 0.00 6.77 7.86 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 64 D 8.69 4.40 0.00 2.96 2.93 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 65 K 8.12 4.02 0.00 2.15 1.95 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.41 4.07 0.00 1.82 1.86 1.05 0.78 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 67 R 8.33 4.00 0.00 2.09 2.06 0.00 3.16 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.33 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 69 H 8.40 4.21 0.00 3.39 3.64 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.45 4.08 0.00 4.03 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 71 I 7.72 3.78 1.96 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 1.58 0.65 1.16 0.00 0.00 72 T 7.96 4.20 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 1.28 0.00 0.00 73 L 8.18 3.88 0.00 1.64 1.77 0.88 1.02 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 74 M 7.95 4.23 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 75 Y 7.96 4.07 0.00 3.33 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 76 A 7.49 3.84 0.39 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 77 L 7.36 3.52 0.00 1.47 1.17 0.93 1.09 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 78 Q 7.73 3.52 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 79 N 7.91 4.30 0.00 2.99 2.97 0.00 0.00 7.30 6.67 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 80 F 7.77 4.65 0.00 3.09 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 81 I 7.70 3.55 1.57 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.07 0.85 0.00 0.00 82 D 8.19 4.46 0.00 2.81 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 83 Q 7.67 4.45 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 84 L 7.36 3.92 0.00 1.56 1.68 0.78 0.76 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 85 D 7.92 4.49 0.00 2.66 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 86 N 7.89 4.83 0.00 2.75 2.67 0.00 0.00 7.05 7.54 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 87 P 0.00 4.19 0.00 2.20 1.82 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 88 D 8.26 4.55 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.23 4.39 0.00 2.89 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 90 L 8.08 3.97 0.00 1.92 1.78 0.82 0.60 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 91 V 8.23 3.57 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 1.03 0.00 0.00 1.06 0.00 0.00 92 C 7.97 4.20 0.00 3.14 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 93 V 7.80 3.71 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 0.95 0.00 0.00 1.29 0.00 0.00 94 V 8.12 3.81 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 0.91 0.00 0.00 0.53 0.00 0.00 95 E 8.41 3.98 0.00 2.05 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 2.31 2.52 0.00 96 K 7.39 3.84 0.00 1.78 1.71 0.00 1.15 0.00 0.00 1.29 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.45 7.81 97 Y 8.27 4.73 0.00 3.36 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 98 A 8.25 3.99 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 99 V 7.79 3.56 2.26 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 1.02 0.00 0.00 1.01 0.00 0.00 100 N 7.98 4.38 0.00 3.18 2.87 0.00 0.00 6.96 8.04 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 0.00 101 H 8.04 4.48 0.00 3.38 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.18 3.74 1.87 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 1.56 0.74 0.91 0.00 0.00 103 T 7.92 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 1.28 0.00 0.00 104 R 7.79 4.34 0.00 1.83 1.83 0.00 3.38 0.00 0.00 3.42 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 105 K 7.81 3.80 0.00 1.92 1.92 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 106 I 7.75 4.01 2.01 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 1.00 0.00 0.00 107 S 8.76 4.49 0.00 4.10 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 0.00 108 A 8.48 3.98 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 0.00 109 A 7.94 4.03 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 0.00 110 E 8.23 4.13 0.00 2.27 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 2.44 2.39 0.00 111 F 8.68 4.18 0.00 3.18 3.20 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 0.00 112 G 8.16 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 0.00 0.00 0.00 113 K 7.99 4.18 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.57 7.81 114 I 7.58 3.58 1.53 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.77 0.00 0.00 115 N 8.22 4.47 0.00 2.93 2.88 0.00 0.00 6.70 7.94 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 0.00 116 G 7.64 3.65 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 0.00 0.00 0.00 117 P 0.00 4.20 0.00 2.15 2.13 0.00 3.67 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 2.09 0.00 118 I 7.72 3.48 1.94 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 1.18 0.77 0.59 0.00 0.00 119 K 8.14 3.90 0.00 1.94 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.02 3.97 0.00 1.95 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 121 V 7.96 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 0.90 0.00 0.00 0.87 0.00 0.00 122 L 8.15 3.85 0.00 1.93 1.98 0.97 0.74 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 0.00 123 A 8.20 4.13 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 0.00 124 S 7.93 4.12 0.00 4.02 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 0.00 125 K 7.10 4.42 0.00 1.89 1.90 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.62 7.81 126 N 7.90 4.14 0.00 2.57 2.74 0.00 0.00 6.82 7.43 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 0.00 127 F 8.19 4.31 0.00 3.07 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 0.00 129 D 8.92 4.50 0.00 2.75 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 0.00 130 K 8.17 3.86 0.00 1.77 1.67 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.39 7.81 131 Y 8.13 4.12 0.00 3.46 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 0.00 132 A 8.28 4.24 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 0.00 133 N 8.75 4.37 0.00 2.98 2.89 0.00 0.00 6.90 7.82 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 0.00 134 A 7.90 3.93 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 0.00 135 W 8.50 3.86 0.00 3.62 3.36 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 0.00 136 A 8.19 4.44 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 0.00 137 K 7.66 3.96 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 138 L 7.55 3.93 0.00 1.41 1.72 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.18 3.77 2.34 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 1.16 0.00 0.00 1.19 0.00 0.00 140 A 8.06 4.63 1.39 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 0.00 141 V 7.35 3.44 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 0.66 0.00 0.00 0.81 0.00 0.00 142 V 7.53 3.55 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 0.37 0.00 0.00 0.82 0.00 0.00 143 Q 8.05 3.86 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 144 A 7.84 4.08 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 0.00 145 A 7.67 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.56 4.21 0.00 1.55 1.49 0.48 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00