1 MET 1 999.9900 .8879 999.9900 .9587 .6113 .8193 .2896 .3842 .3412 .6263 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .8152 -1.3247 .1716 .2999 .2465 -.5445 3 ASP 3 -.1445 -1.1062 999.9900 999.9900 -.1878 -.4795 -.0670 .4755 .2494 -.2060 4 THR 4 .1314 999.9900 -.2947 999.9900 .3342 .0570 .1632 .3770 .2879 .1422 5 GLY 5 -.1914 999.9900 999.9900 999.9900 .8277 .3181 -.0609 .4460 .2207 .2554 6 GLU 6 -3.2255 .7809 999.9900 1.1588 -1.0906 -.5941 -.3918 .4737 .1131 -.3824 7 VAL 7 .1037 999.9900 -.0276 999.9900 -1.8525 -.5921 -1.9358 -.3441 -1.0073 -.8113 8 GLN 8 -.3746 .6267 999.9900 1.3059 .7898 .5869 -.4250 .2727 -.0180 .3659 9 PHE 9 -.0559 .7639 999.9900 999.9900 .2815 .3298 -.0371 .4992 .2758 .2903 10 MET 10 -.2142 -.6706 999.9900 .9587 .6113 .1713 .1781 .4291 .3245 .2154 11 LYS 11 -.6145 -2.9005 999.9900 .4411 .7669 -.3732 -.1449 -.2787 -.2229 -.3271 12 PRO 12 .4011 999.9900 999.9900 999.9900 -.4005 .0003 .0769 .6603 .4172 .1845 13 PHE 13 -.1866 -.1118 999.9900 999.9900 .0736 -.0749 .5979 .6181 .6097 .1982 14 ILE 14 .5210 -1.0451 999.9900 999.9900 .2216 -.1008 .1971 .4599 .3504 .0709 15 SER 15 .6980 999.9900 .3727 999.9900 .2374 .4360 .4496 .6361 .5584 .4787 16 GLU 16 -.2326 -2.8418 999.9900 -1.0323 -1.5390 -1.4115 .2150 .4579 .3567 -.8288 17 LYS 17 -1.1367 -.2970 999.9900 1.0942 .0060 .1522 .3076 .1931 .2408 .1802 18 SER 18 -.3100 999.9900 -.0289 999.9900 -.0703 -.1364 .4026 .6264 .5331 .1240 19 SER 19 .8760 999.9900 -.7153 999.9900 .5215 .2274 .1890 .5374 .3922 .2817 20 LYS 20 -1.5887 1.2989 999.9900 -.4035 .6340 -.0926 .4268 .5642 .5069 .0754 21 SER 21 -.3025 999.9900 .6576 999.9900 .7781 .3778 .0430 .5405 .3332 .3434 22 LEU 22 -.2443 -2.0611 999.9900 999.9900 .8331 -.4908 -.7266 .2080 -.1814 -.3982 23 GLU 23 -.6163 -.2670 999.9900 -1.0323 .7127 -.3007 -.9993 .4349 -.1627 -.2946 24 ILE 24 .1597 -.0414 999.9900 999.9900 -1.4322 -.4379 .1376 .2392 .1969 -.1874 25 PRO 25 .4011 999.9900 999.9900 999.9900 .2426 .3219 .5810 .6028 .5937 .4569 26 LEU 26 .8475 -1.1684 999.9900 999.9900 -.2790 -.2000 .5623 .2471 .3784 .0419 27 GLY 27 .4759 999.9900 999.9900 999.9900 -.5578 -.0409 .5413 .6582 .6062 .2794 28 PHE 28 -1.3242 .8308 999.9900 999.9900 .2172 -.0921 .3815 .6172 .5190 .1445 29 ASN 29 1.1678 1.0524 999.9900 999.9900 .3587 .8596 .0972 .4599 .3087 .6272 30 GLU 30 .8733 .7809 999.9900 -1.0323 .0814 .1758 .5131 .4945 .5022 .2851 31 TYR 31 .3338 .6919 999.9900 999.9900 .2066 .4107 -.0506 .4341 .2322 .3231 32 PHE 32 -1.2101 .3192 999.9900 999.9900 -.3041 -.3983 .2460 .1037 .1630 -.1691 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 .6931 -.6365 -1.8365 .2053 -.6454 -.7261 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -3.1661 -1.7798 .4968 .2236 .3375 -.7098 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .5440 .0953 .2823 .2477 36 PHE 36 -.8715 .0697 999.9900 999.9900 .2815 -.1734 -.2604 .4508 .1545 -.0660 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .2989 -.4230 -.3298 .6532 .2436 -.1306 38 ILE 38 -.4906 -.0177 999.9900 999.9900 .6034 .0317 .3853 .4946 .4491 .1950 39 THR 39 .5049 999.9900 .2916 999.9900 .3342 .3769 .5066 .6780 .6066 .4631 40 VAL 40 -.0582 999.9900 .8662 999.9900 .6503 .4861 .4074 .3157 .3539 .4363 41 ASP 41 -.4836 -.7325 999.9900 999.9900 .7866 -.1431 .0106 .6435 .3798 .0449 42 LEU 42 .1006 .8730 999.9900 999.9900 .9730 .6488 -.4269 .4119 .0624 .3863 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -.8739 -.9448 -1.3611 .4107 -.3275 -.7570 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 -1.3622 -1.9166 -.3437 .3977 .0888 -1.1391 45 TYR 45 .3338 .4960 999.9900 999.9900 .5630 .4642 .4489 .5520 .5091 .4787 46 SER 46 .8651 999.9900 -.7153 999.9900 -.0193 .0435 .4732 .5785 .5346 .2364 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .6270 -.6586 .3315 .6267 .4955 -.0897 48 ARG 48 -.5733 -.5225 999.9900 .6901 -2.3710 -.4173 .2973 .6256 .4888 -.1663 49 SER 49 .2875 999.9900 -.0289 999.9900 .9098 .3895 .2762 .5183 .4174 .3926 50 TRP 50 .1337 -.0877 999.9900 999.9900 -.4740 -.1427 .1997 .5380 .3971 .0619 51 THR 51 -.5830 999.9900 .9776 999.9900 -1.3910 -.3321 -.3292 .4997 .1543 -.1652 52 VAL 52 -.3637 999.9900 -.2457 999.9900 -1.5772 -.7289 .6298 .4625 .5322 -.2189 53 ARG 53 -.5160 -1.5080 999.9900 .1593 .2455 -.2920 .1946 .3626 .2926 -.1289 54 MET 54 -.3503 .1642 999.9900 1.7963 -1.9874 -.0943 .3515 .5128 .4456 .0812 55 LYS 55 -.6145 .4603 999.9900 1.4535 -.4892 .4527 -.6831 .4126 -.0439 .2847 56 LYS 56 -.3543 -1.9682 999.9900 .7261 -.6710 -.3083 -4.2922 .1614 -1.6943 -.8103 57 ARG 57 -1.5415 1.1781 999.9900 .9503 .7064 .4487 .3845 .6684 .5501 .4709 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 .7039 -.1555 .1921 .6435 .4429 .1311 59 GLU 59 -.7734 -.8169 999.9900 1.1588 .5112 .0199 .4160 .4558 .4392 .1586 60 LYS 60 -.4529 .1550 999.9900 .1731 -.2082 -.0320 .0420 .5892 .3612 .0673 61 VAL 61 .0429 999.9900 .5873 999.9900 -.4490 .0604 -.4256 .5143 .1227 .0540 62 PHE 62 -.4041 -.1118 999.9900 999.9900 .2172 -.0996 -1.8515 .0830 -.7231 -.4135 63 LEU 63 -.0792 -1.4036 999.9900 999.9900 -2.5031 -1.3286 -.8671 -.5362 -.6741 -1.0779 64 THR 64 -3.6133 999.9900 -.8810 999.9900 -1.6680 -2.0541 -.2713 .1623 -.0183 -1.2543 65 VAL 65 -1.2071 999.9900 .1416 999.9900 -2.9040 -1.3232 -.1766 .1712 .0263 -.7950 66 GLY 66 -1.3026 999.9900 999.9900 999.9900 -1.7465 -1.5245 -.2955 .2960 .0331 -.7621 67 TRP 67 .7294 -2.6463 999.9900 999.9900 -1.6678 -1.1949 .2364 .3515 .3036 -.5993 68 GLU 68 .1449 -.1645 999.9900 -1.0323 .4218 -.1575 .4157 .4908 .4595 .0461 69 ASN 69 .7786 1.2520 999.9900 999.9900 .7518 .9275 .2295 .6053 .4487 .7235 70 PHE 70 -.0803 -.6014 999.9900 999.9900 -.1944 -.2920 .1491 .5227 .3670 -.0409 71 VAL 71 1.0462 999.9900 .6672 999.9900 -.4490 .4215 .3460 .0119 .1511 .3245 72 LYS 72 .6780 .1966 999.9900 .8261 .0525 .5159 -.0110 -.0217 -.0172 .3638 73 ASP 73 .2706 -2.4630 999.9900 999.9900 .5431 -.5497 -.2101 .3479 .1154 -.3023 74 ASN 74 -.1320 -.0024 999.9900 999.9900 -.2632 -.1325 .5064 .4695 .4849 .1157 75 ASN 75 -3.4329 .2165 999.9900 999.9900 .4840 -.9108 .1996 .1442 .1673 -.4777 76 LEU 76 -.7230 -3.3760 999.9900 999.9900 -.3982 -1.4990 -.0636 .1389 .0545 -.8844 77 GLU 77 -2.1524 -.3402 999.9900 .3501 .6899 -.3632 .4089 .4060 .4072 -.1063 78 ASP 78 -1.5212 -1.1348 999.9900 999.9900 .1786 -.8258 .0163 .4816 .2877 -.3959 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.0340 .4985 .2618 -.4562 80 LYS 80 -.2075 .2165 999.9900 .2495 .0525 .1121 .1051 .4392 .3000 .1578 81 TYR 81 .3730 .8492 999.9900 999.9900 .8517 .6913 -1.0347 .3939 -.2013 .2866 82 LEU 82 .1006 -2.4128 999.9900 999.9900 -.2242 -.8455 -2.0718 -.2185 -.9907 -.9654 83 GLN 83 -.3964 .6816 999.9900 1.3059 .0346 .4064 -.8003 .2377 -.1948 .1772 84 PHE 84 .1032 .8396 999.9900 999.9900 -.5721 .1235 -.5570 .5749 .1033 .0777 85 ILE 85 .2768 -2.2551 999.9900 999.9900 .2717 -.5689 -.7376 .2053 -.1875 -.4478 86 TYR 86 .2346 -.1547 999.9900 999.9900 -.2672 -.0625 -.5745 .3871 -.0136 -.0750 87 ASP 87 -3.3417 -.5889 999.9900 999.9900 .5121 -1.1395 .4221 .4995 .4672 -.4994 88 ARG 88 -2.9267 -.7463 999.9900 .1593 -1.7309 -1.0170 .4969 -.4319 -.0449 -.7172 89 ASP 89 -1.5212 -.4551 999.9900 999.9900 -.1266 -.7009 -1.0527 .1272 -.3644 -.6057 90 ARG 90 -.7709 .3358 999.9900 1.0005 .0662 .3264 -.4185 -.9882 -.7508 .0322 91 THR 91 .1937 999.9900 .4804 999.9900 .3342 .3361 .2622 .4202 .3543 .3381 92 PHE 92 -.2255 -2.8600 999.9900 999.9900 -.7419 -1.2758 .0301 .4568 .2790 -.6681 93 TYR 93 -.1387 .0164 999.9900 999.9900 -.2672 -.1298 .0418 .5514 .3390 .0407 94 VAL 94 .0482 999.9900 -.5532 999.9900 -.8010 -.4353 .3283 .6557 .5193 -.0644 95 ILE 95 .2866 -.0177 999.9900 999.9900 -.1449 .0413 -.0469 .2540 .1286 .0662 96 ILE 96 .3059 -1.0451 999.9900 999.9900 -.5989 -.4461 .2417 .6361 .4718 -.0921 97 TYR 97 .1961 -.5304 999.9900 999.9900 -1.9776 -.7706 -.2555 -.4609 -.3753 -.6057 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 -.3452 -1.5084 .0271 -.1563 -.0748 -.7865 99 HIS 99 -2.1861 .1349 999.9900 999.9900 .1122 -.6463 .4847 -.1428 .1186 -.3194 100 ASN 100 -2.3558 .2165 999.9900 999.9900 .4840 -.5518 .5689 .0418 .2614 -.2089 101 MET 101 -1.4527 -.1672 999.9900 .9587 -.5376 -.2997 -.0436 .3690 .1971 -.1456 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2237 .4684 .3636 .2739 Means: -.4992 -.4468 .0885 .5349 -.1813 -.2333 -.0762 .3455 .1690 -.0911 2.00 refined_11