1 ASP 1 999.9900 -.3515 999.9900 999.9900 .5431 .0958 .0493 .0150 .0306 .0640 2 PRO 2 -5.1268 999.9900 999.9900 999.9900 .7944 -2.1662 .5301 .4790 .5003 -.8308 3 ASN 3 .7786 .2165 999.9900 999.9900 -.8850 .0367 .5684 .5854 .5784 .2528 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .6390 -1.4128 .0804 .2836 .1989 -.6154 5 GLU 5 -3.2255 -.3559 999.9900 -1.0323 .7566 -.9643 -.0733 .5083 .2660 -.5704 6 PHE 6 -1.5081 .4845 999.9900 999.9900 -2.2412 -1.0883 -1.5565 .5752 -.3130 -.8492 7 ASP 7 -.4515 -1.1062 999.9900 999.9900 .2216 -.4454 .3326 -.0878 .0873 -.2183 8 PRO 8 -1.4874 999.9900 999.9900 999.9900 .7618 -.3628 -.1002 .4595 .2263 -.0916 9 ASP 9 -.9091 -.3515 999.9900 999.9900 .6587 -.2006 -.1466 .4490 .2008 -.0599 10 LEU 10 -.0411 -1.6805 999.9900 999.9900 .9730 -.2495 .1348 .2621 .2091 -.0703 11 PRO 11 .5449 999.9900 999.9900 999.9900 .6931 .6190 .5902 .2590 .3970 .5218 12 GLY 12 -.4374 999.9900 999.9900 999.9900 .4101 -.0137 .0557 .5980 .3570 .1566 13 GLY 13 -.1011 999.9900 999.9900 999.9900 .2296 .0642 -.2517 .6882 .2704 .1412 14 GLY 14 -.7321 999.9900 999.9900 999.9900 .7185 -.0068 -.9618 .6393 -.0723 -.0840 15 LEU 15 -.0169 -1.8410 999.9900 999.9900 -2.5031 -1.4537 .0003 .6197 .3616 -.7482 16 HIS 16 -1.9498 .9673 999.9900 999.9900 -1.6368 -.8731 .0454 .1064 .0810 -.4935 17 ARG 17 -.1504 -2.8571 999.9900 .1593 -.2445 -.5867 -.7759 .1712 -.2234 -.5054 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 .3172 .4246 .3799 -.1737 19 LEU 19 .8475 -1.4996 999.9900 999.9900 .6486 -.0012 .1748 .5446 .3905 .1432 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .4012 .1457 .6714 .5982 .6287 .3903 21 CYS 21 -.9252 999.9900 .8629 999.9900 1.0610 .3329 .4784 .3726 .4167 .3699 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0105 -.8679 .2912 .4379 .3768 -.2517 23 ARG 23 -.6502 .0043 999.9900 1.2208 .7064 .5004 -1.2057 .4484 -.2408 .2493 24 TYR 24 -.0710 .4149 999.9900 999.9900 -.2672 .0256 -1.6459 .3018 -.5098 -.2535 25 PHE 25 .2013 .5589 999.9900 999.9900 .4513 .4038 .1844 .5538 .3999 .3900 26 ILE 26 -.4035 .2838 999.9900 999.9900 -1.2029 -.4409 -.6202 .3024 -.0821 -.3281 27 ASP 27 -.8323 -.5059 999.9900 999.9900 -.1266 -.4883 .0084 .1359 .0828 -.2641 28 SER 28 .8760 999.9900 -.7153 999.9900 -.0193 .0471 .3246 .5922 .4807 .2116 29 THR 29 1.2375 999.9900 .6346 999.9900 -.3332 .5129 .0788 .4859 .3163 .4207 30 ASN 30 .6990 -2.3357 999.9900 999.9900 .0387 -.5327 .3209 .1397 .2152 -.2275 31 LEU 31 .8182 -3.3760 999.9900 999.9900 .5787 -.6597 -.3420 -.0086 -.1475 -.4659 32 LYS 32 .9480 .1966 999.9900 .6906 -.4103 .4231 .4319 .3250 .3696 .4104 33 THR 33 .8748 999.9900 .9776 999.9900 -.6102 .4141 .4096 .5274 .4783 .4358 34 HIS 34 .9933 .8055 999.9900 999.9900 .5185 .7724 -.0826 .1890 .0759 .4847 35 PHE 35 -.3673 -.9508 999.9900 999.9900 .0736 -.4148 .5259 -.3214 .0317 -.2080 36 ARG 36 .3315 1.1781 999.9900 .1593 -2.3710 -.1086 .5326 .4216 .4679 .0588 37 SER 37 -2.2020 999.9900 .3727 999.9900 -1.1621 -.9971 -.3470 .3659 .0689 -.5945 38 LYS 38 .9480 -2.1617 999.9900 .3546 .2547 -.0499 .6314 .1468 .3487 .0755 39 ASP 39 .8349 -3.1847 999.9900 999.9900 .6856 -.5547 .5634 .5256 .5414 -.1150 40 HIS 40 .0007 -.1263 999.9900 999.9900 -1.6368 -.5875 -1.3339 .4659 -.2840 -.5261 41 LYS 41 .9480 1.0637 999.9900 -.0770 -1.6664 .0383 .0893 .2969 .2104 .0825 42 LYS 42 1.2214 .7568 999.9900 .7184 -.4103 .6009 .2979 .6898 .5265 .5703 43 ARG 43 .8469 -.2334 999.9900 .7862 -.2445 .3883 .2679 .5937 .4580 .4004 44 LEU 44 .8475 -1.8410 999.9900 999.9900 -.1723 -.3886 .4048 .4754 .4460 -.0571 45 LYS 45 .3654 1.1488 999.9900 1.4207 -1.2036 .6304 .3477 .4866 .4288 .5695 46 GLN 46 .1030 1.0195 999.9900 1.3059 -.0576 .5927 .6498 .5566 .5954 .5962 47 LEU 47 1.1349 .8730 999.9900 999.9900 .8331 .9470 -.0597 .3808 .1972 .6324 48 SER 48 -1.5945 999.9900 -.0289 999.9900 -.6377 -.7537 -.4561 .3154 -.0061 -.4804 49 VAL 49 -2.1102 999.9900 -.0276 999.9900 -1.1891 -1.1089 -.2267 .2210 .0345 -.6665 50 GLU 50 -.7537 -.4402 999.9900 .3501 -.6780 -.3804 -.2297 -.0676 -.1351 -.3032 51 PRO 51 -3.6843 999.9900 999.9900 999.9900 .6188 -1.5327 -.8444 .5208 -.0480 -.8473 52 TYR 52 -.2794 .7834 999.9900 999.9900 .6556 .3865 -1.4403 .5416 -.2842 .0522 53 SER 53 -1.2636 999.9900 -.0289 999.9900 .3749 -.3058 .4483 .1225 .2583 -.0693 54 GLN 54 -3.1236 .6315 999.9900 1.3059 -2.2865 -.8682 -.4419 -1.7162 -1.1853 -.9385 55 GLU 55 -2.0601 1.1195 999.9900 .3501 .1264 -.1160 .2628 -.3327 -.0846 -.0890 56 GLU 56 -.8591 -1.1358 999.9900 -1.0323 .4218 -.6514 -.1534 .0685 -.0240 -.4484 57 ALA 57 -1.7252 999.9900 999.9900 999.9900 .4999 -.6126 .2129 .6469 .4661 -.0914 58 GLU 58 -1.0962 .4305 999.9900 -1.0323 .5112 -.2967 .5892 .6512 .6254 .0089 59 ARG 59 -.3884 .7078 999.9900 .7862 .1299 .4043 .4191 .6627 .5612 .4434 60 ALA 60 -2.8370 999.9900 999.9900 999.9900 .8152 -1.0109 .6491 .6844 .6697 -.1720 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .8416 -1.3115 -.0059 .6707 .3888 -.4896 62 GLY 62 -1.0699 999.9900 999.9900 999.9900 .4101 -.3299 .0944 .6444 .4000 .0197 63 MET 63 -.5049 .5321 999.9900 .9587 .6950 .4202 .4298 .6819 .5769 .4654 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .6270 -1.4297 .5099 .6574 .5918 -.4230 65 SER 65 -1.7828 999.9900 .3727 999.9900 -.0193 -.4765 .4353 .6133 .5391 -.0762 66 TYR 66 -.1748 .2884 999.9900 999.9900 -.1498 -.0121 .0234 .4742 .2863 .0923 67 VAL 67 999.9900 999.9900 .1416 999.9900 999.9900 .1416 .4724 .5952 .5426 .4031 Means: -.6570 -.2895 .2446 .4861 -.0875 -.2088 .0237 .3622 .2204 -.0513 2.00 refined_20