NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4036 8.3044 120.3308 54.9599 32.9097 176.5193 2 V 4.3219 9.0263 123.4055 61.2705 33.6164 172.4454 3 Y 4.6567 8.6656 129.7156 56.0084 41.8334 173.5334 4 Q 4.7869 7.4012 126.2732 54.1131 30.2238 175.5648 5 V 4.2326 8.1539 120.2356 62.1264 31.8316 176.6604 6 K 4.2197 9.2599 122.6800 58.2553 33.0844 176.6449 7 D 4.4638 7.4088 116.6515 51.4766 42.7910 176.0976 8 K 3.9313 8.4656 119.1496 59.6513 32.0659 178.3117 9 A 4.0017 8.1331 120.8114 55.1808 18.3059 179.1301 10 D 4.2937 8.2426 116.1467 57.2355 41.3213 177.9748 11 L 3.9511 8.3415 121.2749 58.4063 42.1998 178.6327 12 D 4.4884 8.3345 118.9338 57.4701 40.8462 179.2002 13 G 3.5935 8.0844 105.9819 47.7087 0.0000 175.6413 14 Q 3.9164 8.1817 121.9809 58.7183 28.7869 178.3729 15 L 3.9581 7.9441 119.6867 58.0831 41.8576 179.0387 16 T 4.0011 7.5670 108.1197 64.9202 68.5606 176.1661 17 K 4.0542 8.0023 120.3698 59.2491 32.1626 178.9857 18 A 3.8488 8.0187 121.0628 52.8464 18.2695 178.4538 19 S 3.4416 8.0803 110.6427 60.0298 62.3279 173.0371 20 G 4.0855 8.7489 106.3577 45.1309 0.0000 173.0766 21 K 4.3278 7.6580 119.5891 55.7652 33.3930 176.3047 22 L 4.4138 8.5151 124.3815 54.8816 43.3479 175.4486 23 V 4.7194 9.0628 126.9290 61.2822 33.8115 174.3485 24 V 4.3298 8.4607 128.1466 61.1468 33.5495 174.2450 25 L 4.4660 8.8618 129.8453 53.7284 43.1405 175.5721 26 D 4.7235 8.8558 125.6120 52.4906 42.4086 174.9810 27 F 4.7351 8.5409 126.6192 56.6590 40.1885 175.1730 28 F 5.1546 8.9461 118.4902 55.1429 42.2759 173.2185 29 A 4.4875 7.9940 118.9204 50.0499 21.5955 177.6725 30 T 3.9530 8.6158 111.7587 63.8049 69.0471 175.2033 31 W 4.4986 7.2932 117.1123 56.9811 29.0290 176.9791 32 C 4.6633 7.4266 121.1024 55.3624 44.6209 173.5519 33 G 3.7342 8.7584 115.5125 47.7976 0.0000 172.6789 34 P 4.3207 0.0000 0.0000 65.2661 30.8426 179.3818 35 C 4.2540 8.0729 114.7231 60.1178 40.0062 176.2052 36 K 3.8481 7.5716 118.6615 59.2965 31.6553 178.8610 37 M 4.1769 7.9458 118.1611 57.8817 32.4942 177.1653 38 I 4.1500 7.7652 117.1305 61.3240 38.3602 177.0039 39 S 4.0214 7.5565 113.1689 61.7445 62.0479 173.9651 40 P 4.2047 0.0000 0.0000 65.7600 31.0523 178.4314 41 K 3.9278 8.0360 117.5965 59.2908 32.1142 178.3411 42 L 3.9149 7.8726 120.7390 58.0400 42.1634 179.1024 43 V 3.5364 7.9565 118.2647 65.9687 31.4149 177.2008 44 E 3.9342 8.4121 119.4146 59.7289 29.3880 179.0311 45 L 4.2097 8.3865 119.2408 57.7571 41.4288 179.5681 46 S 4.2979 7.9240 113.5665 61.7658 62.9509 176.5848 47 T 4.0742 7.8804 118.7636 66.3853 68.1328 176.7044 48 Q 3.8963 8.2101 120.4106 58.1825 29.2878 176.9937 49 F 4.7484 8.5975 117.9408 56.8036 39.7132 175.3677 50 A 4.3494 7.2910 123.1065 53.5587 18.6783 177.4732 51 D 5.0837 9.1869 118.9670 53.7535 39.3298 175.6363 52 N 5.0910 8.0612 113.0607 52.6473 41.7265 174.5176 53 V 4.9400 8.0128 117.1669 60.9117 35.3249 175.2547 54 V 4.3197 8.6591 125.0947 61.2001 34.3886 174.2432 55 V 4.6332 8.3887 128.7759 61.7766 33.2530 174.3057 56 L 5.0276 8.6953 127.9296 52.9077 44.8299 175.7157 57 K 4.7597 9.3887 124.5511 55.4957 34.0905 176.0821 58 V 4.2627 8.8474 124.2450 60.9369 34.4642 174.0159 59 D 3.8111 8.3513 128.7391 53.0954 41.3826 176.9096 60 V 3.6369 8.1880 121.4274 64.4839 32.0490 178.8369 61 D 4.5528 8.3206 119.7278 56.5843 41.0174 177.3194 62 E 4.2487 8.0642 117.2699 57.7397 30.9283 176.3677 63 C 4.9555 8.1098 115.6681 57.8962 28.6502 174.7582 64 E 4.1905 8.4387 123.1776 58.9928 29.5042 179.1597 65 D 4.4091 8.0785 118.5417 56.4598 39.4722 178.5991 66 I 3.9692 7.9936 121.0813 63.8810 37.1949 177.9939 67 A 3.9296 8.1073 121.2930 55.5374 18.1865 179.2508 68 M 3.9622 8.2210 116.6175 58.6494 32.0840 177.8321 69 E 3.8857 8.0605 118.6141 59.1315 29.7681 177.5089 70 Y 4.1781 7.9777 113.8804 56.3202 38.6496 174.8899 71 N 4.0802 7.9893 117.1206 54.4984 38.0206 174.4368 72 I 3.9686 7.4063 116.7538 61.0154 37.9096 175.4324 73 S 4.5104 7.8959 116.8284 59.7231 65.8099 174.3589 74 S 4.5050 7.7647 118.7220 57.2564 63.7075 173.6360 75 M 4.6817 8.2913 122.3955 52.8170 34.9633 173.8498 76 P 4.6718 0.0000 0.0000 62.4936 33.9545 174.6779 77 T 4.7399 7.9292 117.0000 61.7344 71.9594 172.8947 78 F 5.0435 8.5926 125.2277 55.6121 41.3906 174.7089 79 V 4.6534 8.3357 123.8627 61.0197 34.1591 174.0184 80 F 5.2911 9.4786 126.9443 55.8245 41.3808 174.7088 81 L 5.4239 9.0793 123.1913 53.1152 46.2665 175.8577 82 K 4.5970 9.5116 122.5897 55.9284 35.9328 175.6855 83 N 3.9366 9.8102 125.4350 54.6503 35.9080 175.7103 84 G 4.0573 8.6269 103.2932 45.6769 0.0000 173.9783 85 V 4.3546 7.4760 119.2980 60.3055 33.7876 174.5826 86 K 4.6433 8.6078 128.1865 56.2256 32.6433 176.3450 87 V 3.9366 9.0433 127.7433 65.3852 32.0970 175.1409 88 E 4.8700 8.1093 118.4272 56.0925 33.0884 172.8175 89 E 5.6432 8.7812 121.0415 55.6235 32.5234 173.7794 90 F 5.1053 8.8033 118.4139 56.3649 41.5616 172.8035 91 A 5.0444 9.1664 122.4604 50.9336 21.6263 177.0082 92 G 4.1097 9.0626 106.7114 45.7195 0.0000 174.8416 93 A 4.5080 8.2641 124.9409 50.8270 17.0765 177.5306 94 N 4.7860 8.1362 118.9599 50.7351 39.5605 173.7222 95 A 3.9973 8.3987 129.1183 54.9844 18.5537 178.9915 96 K 3.8545 8.0423 116.1629 59.7508 32.1828 179.4061 97 R 3.6653 8.5420 119.2122 59.0056 29.9574 178.1433 98 L 4.1700 8.1273 120.3205 58.3820 42.0619 178.6513 99 E 3.8325 8.1912 119.0695 59.1743 29.4441 178.3517 100 D 4.2537 8.2207 119.1788 57.4337 41.0277 178.9834 101 V 3.3086 7.6544 118.5223 65.8915 31.2149 178.0993 102 I 3.5100 7.3426 119.1920 64.3446 36.6977 178.6644 103 K 3.8630 7.8889 118.1022 59.3106 31.9448 179.1074 104 A 4.1769 8.0808 120.1509 53.8854 18.2990 177.8226 105 N 4.8527 7.4578 112.1904 52.8785 39.6313 174.4930 106 I 3.8861 7.3696 124.6991 61.2844 37.9898 175.4843 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 4.40 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 V 9.03 4.32 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 0.75 0.00 0.00 0.92 0.00 0.00 3 Y 8.67 4.66 0.00 3.00 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 4 Q 7.40 4.79 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.55 0.00 5 V 8.15 4.23 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 0.79 0.00 0.00 0.92 0.00 0.00 6 K 9.26 4.22 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.63 7.81 7 D 7.41 4.46 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.47 3.93 0.00 1.89 1.89 0.00 1.77 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 9 A 8.13 4.00 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 10 D 8.24 4.29 0.00 2.97 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 11 L 8.34 3.95 0.00 1.79 1.85 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.33 4.49 0.00 2.94 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 13 G 8.08 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 14 Q 8.18 3.92 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 15 L 7.94 3.96 0.00 1.82 1.73 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.57 4.00 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 1.26 0.00 0.00 17 K 8.00 4.05 0.00 2.07 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 18 A 8.02 3.85 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 S 8.08 3.44 0.00 4.04 3.21 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 20 G 8.75 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 0.00 0.00 0.00 0.00 21 K 7.66 4.33 0.00 1.86 1.92 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.49 7.81 22 L 8.52 4.41 0.00 1.84 1.57 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.06 4.72 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 0.92 0.00 0.00 0.94 0.00 0.00 24 V 8.46 4.33 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 0.71 0.00 0.00 1.04 0.00 0.00 25 L 8.86 4.47 0.00 1.46 0.90 0.50 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.86 4.72 0.00 2.81 2.50 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 27 F 8.54 4.74 0.00 2.97 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 28 F 8.95 5.15 0.00 2.92 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 29 A 7.99 4.49 -0.23 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 30 T 8.62 3.95 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 1.39 0.00 0.00 31 W 7.29 4.50 0.00 3.54 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 32 C 7.43 4.66 0.00 2.23 2.59 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 33 G 8.76 3.73 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 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.19 2.18 0.00 3.63 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 2.16 2.23 0.00 35 C 8.07 4.25 0.00 3.09 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 36 K 7.57 3.85 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 37 M 7.95 4.18 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 38 I 7.77 4.15 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 1.18 0.00 0.00 39 S 7.56 4.02 0.00 3.99 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 40 P 0.00 4.20 0.00 2.19 2.09 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 K 8.04 3.93 0.00 1.88 1.97 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.56 7.81 42 L 7.87 3.91 0.00 1.93 1.78 0.93 0.87 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 43 V 7.96 3.54 2.24 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 0.93 0.00 0.00 0.93 0.00 0.00 44 E 8.41 3.93 0.00 2.13 2.13 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 2.35 2.39 0.00 45 L 8.39 4.21 0.00 1.92 1.80 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.92 4.30 0.00 4.07 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 47 T 7.88 4.07 4.33 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 1.20 0.00 0.00 48 Q 8.21 3.90 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.39 0.00 0.00 0.00 0.00 0.00 1.48 2.12 0.00 49 F 8.60 4.75 0.00 3.24 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 50 A 7.29 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 9.19 5.08 0.00 2.80 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 52 N 8.06 5.09 0.00 2.77 2.88 0.00 0.00 6.55 7.68 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 53 V 8.01 4.94 2.17 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 0.85 0.00 0.00 0.99 0.00 0.00 54 V 8.66 4.32 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 0.93 0.00 0.00 55 V 8.39 4.63 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 0.92 0.00 0.00 0.94 0.00 0.00 56 L 8.70 5.03 0.00 1.49 1.51 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.39 4.76 0.00 1.79 1.90 0.00 1.30 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.26 7.81 58 V 8.85 4.26 1.22 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 0.92 0.00 0.00 0.44 0.00 0.00 59 D 8.35 3.81 0.00 2.31 2.29 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 0.00 0.00 0.00 0.00 60 V 8.19 3.64 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 0.83 0.00 0.00 0.86 0.00 0.00 61 D 8.32 4.55 0.00 2.86 2.79 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 0.00 0.00 0.00 62 E 8.06 4.25 0.00 1.98 1.96 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 2.24 2.42 0.00 63 C 8.11 4.96 0.00 2.90 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 64 E 8.44 4.19 0.00 2.02 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 2.64 2.26 0.00 65 D 8.08 4.41 0.00 2.97 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 66 I 7.99 3.97 2.11 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 1.57 0.62 1.19 0.00 0.00 67 A 8.11 3.93 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 68 M 8.22 3.96 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 69 E 8.06 3.89 0.00 2.16 2.33 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 1.94 2.25 0.00 70 Y 7.98 4.18 0.00 2.54 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 71 N 7.99 4.08 0.00 2.74 2.77 0.00 0.00 7.11 7.62 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 72 I 7.41 3.97 1.65 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.24 0.74 0.00 0.00 73 S 7.90 4.51 0.00 3.91 3.82 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 74 S 7.76 4.51 0.00 3.90 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 75 M 8.29 4.68 0.00 1.75 1.80 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 76 P 0.00 4.67 0.00 1.50 1.99 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 77 T 7.93 4.74 4.08 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 0.00 0.00 0.00 1.12 0.00 0.00 78 F 8.59 5.04 0.00 2.22 2.19 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 79 V 8.34 4.65 2.13 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 1.19 0.00 0.00 1.12 0.00 0.00 80 F 9.48 5.29 0.00 3.18 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 81 L 9.08 5.42 0.00 1.60 1.59 1.05 0.84 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 82 K 9.51 4.60 0.00 1.79 1.65 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.62 7.81 83 N 9.81 3.94 0.00 2.98 2.90 0.00 0.00 7.08 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.63 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 85 V 7.48 4.35 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 0.99 0.00 0.00 1.00 0.00 0.00 86 K 8.61 4.64 0.00 1.84 1.78 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.72 7.81 87 V 9.04 3.94 2.30 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 0.77 0.00 0.00 1.00 0.00 0.00 88 E 8.11 4.87 0.00 2.07 1.77 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 2.44 2.35 0.00 89 E 8.78 5.64 0.00 2.14 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 2.28 2.51 0.00 90 F 8.80 5.11 0.00 3.19 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 91 A 9.17 5.04 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 92 G 9.06 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 0.00 0.00 0.00 93 A 8.26 4.51 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 94 N 8.14 4.79 0.00 2.85 2.80 0.00 0.00 6.92 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.40 4.00 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 96 K 8.04 3.85 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 97 R 8.54 3.67 0.00 1.63 1.60 0.00 2.58 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.20 0.00 98 L 8.13 4.17 0.00 1.87 1.82 0.54 0.34 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 99 E 8.19 3.83 0.00 2.08 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 2.31 2.38 0.00 100 D 8.22 4.25 0.00 2.82 2.59 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 0.00 101 V 7.65 3.31 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 0.02 0.00 0.00 0.79 0.00 0.00 102 I 7.34 3.51 1.63 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.04 0.00 0.00 103 K 7.89 3.86 0.00 1.63 1.88 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.27 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.67 1.52 7.81 104 A 8.08 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.46 4.85 0.00 2.70 2.78 0.00 0.00 6.94 7.19 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 0.00 106 I 7.37 3.89 2.08 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 1.38 0.72 1.04 0.00 0.00