1 ASP 1 999.9900 -.5059 999.9900 999.9900 .6310 .0625 .6310 .5227 .5719 .3197 2 PRO 2 -2.0783 999.9900 999.9900 999.9900 -1.3105 -1.6944 .2610 .6081 .4635 -.6299 3 ASN 3 1.1678 .0835 999.9900 999.9900 .1006 .4506 -.3600 .2787 .0126 .2541 4 ALA 4 -1.7252 999.9900 999.9900 999.9900 .8416 -.4418 .0323 -.0368 -.0080 -.2220 5 GLU 5 .1025 .6653 999.9900 -1.0323 .3223 .0145 .3243 .4977 .4255 .1466 6 PHE 6 -.4296 -.4187 999.9900 999.9900 .7193 -.0430 .2666 .5958 .4586 .1467 7 ASP 7 -.2452 -1.1646 999.9900 999.9900 .5431 -.2889 .6790 .3083 .4628 .0241 8 PRO 8 -1.4874 999.9900 999.9900 999.9900 .4949 -.4963 .2531 .5470 .4246 -.0481 9 ASP 9 -.0867 -.2599 999.9900 999.9900 .1337 -.0709 -.2567 .4762 .1708 .0013 10 LEU 10 -.3112 -1.6462 999.9900 999.9900 -1.3910 -1.1162 .2358 .2484 .2432 -.5728 11 PRO 11 -5.1268 999.9900 999.9900 999.9900 .1827 -2.4720 .0445 .0343 .0385 -1.2163 12 GLY 12 -2.1575 999.9900 999.9900 999.9900 -.4997 -1.3286 -.3349 .4113 .0797 -.6452 13 GLY 13 -.0138 999.9900 999.9900 999.9900 -1.0172 -.5155 .3033 .5377 .4335 -.0475 14 GLY 14 -.1011 999.9900 999.9900 999.9900 -.9224 -.5118 .5190 .6285 .5798 .0310 15 LEU 15 -.7230 .8730 999.9900 999.9900 .6926 .2809 .2776 .6595 .5004 .3559 16 HIS 16 -1.9498 1.3256 999.9900 999.9900 .4328 -.0638 -1.1198 .0237 -.4527 -.2575 17 ARG 17 -.1504 -.4122 999.9900 .5548 -1.7309 -.2368 -1.6924 .4980 -.4147 -.3397 18 CYS 18 .0411 999.9900 .1296 999.9900 .4013 .1907 .0254 .2930 .1815 .1781 19 LEU 19 .8475 .8847 999.9900 999.9900 .7348 .8223 .4334 .6178 .5409 .7036 20 ALA 20 .3573 999.9900 999.9900 999.9900 .7881 .5727 .6613 .6660 .6640 .6182 21 CYS 21 -.6995 999.9900 1.5962 999.9900 .8268 .5745 .5291 .3253 .4102 .5156 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .2428 -.7412 .4729 .5554 .5210 -.1135 23 ARG 23 -.5614 .1897 999.9900 .5548 .5247 .2525 -.8545 .3942 -.1261 .1146 24 TYR 24 .0406 .0164 999.9900 999.9900 .7784 .2785 -1.7064 .4935 -.4231 -.0755 25 PHE 25 -.0244 .0765 999.9900 999.9900 .0736 .0419 -.0118 .5811 .3341 .1390 26 ILE 26 .2963 -.1544 999.9900 999.9900 1.0081 .3833 .2848 .5363 .4315 .3942 27 ASP 27 -.5288 -1.6521 999.9900 999.9900 -.2530 -.8113 .3386 .4939 .4292 -.3203 28 SER 28 .3042 999.9900 .3727 999.9900 .6931 .4567 .3269 .5752 .4718 .4544 29 THR 29 1.1372 999.9900 .6346 999.9900 -.6102 .3872 .5368 .5822 .5633 .4561 30 ASN 30 1.1272 -.0024 999.9900 999.9900 .5588 .5612 .0763 .6334 .4012 .4787 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .1315 -.7511 -.5508 .1493 -.1424 -.5309 32 LYS 32 1.2214 .8340 999.9900 -.4035 -.4892 .1519 .4320 .6420 .5545 .2619 33 THR 33 .8748 999.9900 .0483 999.9900 .2056 .3762 .1628 .5681 .3993 .3719 34 HIS 34 .9933 -.1773 999.9900 999.9900 .2322 .3494 .0135 .1402 .0874 .2404 35 PHE 35 -.3673 -.7766 999.9900 999.9900 .5949 -.1830 .3942 -.3168 -.0206 -.0943 36 ARG 36 -.0882 .7158 999.9900 .1593 -2.3710 -.2849 .1126 .2000 .1636 -.1589 37 SER 37 -3.7598 999.9900 -.0289 999.9900 -.7427 -1.5105 -.0148 .3946 .2240 -.8303 38 LYS 38 .1686 -2.4344 999.9900 .9771 .6340 .0645 .4062 .2618 .3220 .1415 39 ASP 39 1.1285 -.7325 999.9900 999.9900 .1786 .1915 .2061 .4831 .3676 .2528 40 HIS 40 .6603 -.8163 999.9900 999.9900 -.1902 -.1154 -2.1536 .4748 -.6204 -.4050 41 LYS 41 .9480 .6560 999.9900 .4996 -2.0338 .1139 .1477 .2794 .2245 .1424 42 LYS 42 .6780 .3079 999.9900 .3240 .7460 .4760 .5451 .5232 .5323 .4926 43 ARG 43 .3315 -2.3766 999.9900 .5548 .1299 -.1611 .2453 .4743 .3789 -.0123 44 LEU 44 .8475 -.8597 999.9900 999.9900 -.8739 -.2954 .3479 .3385 .3424 -.0400 45 LYS 45 1.0838 -.2695 999.9900 .7677 .6340 .5967 .5780 .4325 .4931 .5706 46 GLN 46 .9732 1.0195 999.9900 1.3059 .2680 .8917 .6143 .3154 .4399 .7494 47 LEU 47 .2872 .5315 999.9900 999.9900 .8331 .5506 .5121 .3326 .4074 .4993 48 SER 48 .1093 999.9900 .3727 999.9900 .7151 .3990 .3704 .4850 .4373 .4105 49 VAL 49 -1.7159 999.9900 -.5532 999.9900 -.7002 -.9898 .5458 .0821 .2754 -.4683 50 GLU 50 -2.8104 -.3559 999.9900 -1.0323 -1.2865 -1.3713 .5782 -.0406 .2172 -.8246 51 PRO 51 -2.3165 999.9900 999.9900 999.9900 .7944 -.7610 .0419 .5742 .3524 -.2265 52 TYR 52 -2.5417 .3463 999.9900 999.9900 -.1498 -.7817 -1.1604 .0533 -.4524 -.6905 53 SER 53 -.3251 999.9900 .3727 999.9900 -1.9795 -.6440 -.5696 -.2840 -.4030 -.5571 54 GLN 54 -3.1236 -1.2219 999.9900 1.3059 .0346 -.7513 -1.6059 -1.4550 -1.5179 -1.0110 55 GLU 55 -1.4945 -.6497 999.9900 -1.0323 -.6780 -.9636 .3604 .4291 .4005 -.5108 56 GLU 56 -3.2255 .7809 999.9900 -1.0323 -1.0906 -1.1419 -.5569 -.4954 -.5210 -.9366 57 ALA 57 -1.6986 999.9900 999.9900 999.9900 .6390 -.5298 -1.1864 .5456 -.1761 -.4251 58 GLU 58 -2.8104 .7809 999.9900 -1.0323 .1264 -.7339 -.2095 .4614 .1818 -.4473 59 ARG 59 -1.1879 .8024 999.9900 .5548 -.0022 .1444 -.6812 .6301 .0837 .0958 60 ALA 60 -.6134 999.9900 999.9900 999.9900 .4999 -.0568 .2158 .4075 .3276 .1275 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .5367 -.5943 .4867 .3962 .4339 -.0764 62 GLY 62 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 -.2922 .5720 .1879 -.4761 63 MET 63 .1044 -.1672 999.9900 .9587 .5203 .3540 .4985 .6032 .5596 .4196 64 GLY 64 -2.6716 999.9900 999.9900 999.9900 .6890 -.9913 -.2353 .6351 .2482 -.3957 65 SER 65 -.2734 999.9900 -.0289 999.9900 .6705 .1228 -.0206 .5628 .3197 .1821 66 TYR 66 -1.0108 .5582 999.9900 999.9900 .6556 .0677 -2.6664 .5660 -.7808 -.3795 67 VAL 67 999.9900 999.9900 .7395 999.9900 999.9900 .7395 .1261 .1200 .1226 .3285 Means: -.6159 -.2191 .3323 .2677 .0403 -.1668 -.0431 .3570 .1894 -.0402 2.00 refined_12