1 ASP 1 999.9900 -.3515 999.9900 999.9900 .0375 -.1570 .4667 .4993 .4845 .1630 2 PRO 2 .5449 999.9900 999.9900 999.9900 -.4005 .0722 .6083 .4790 .5329 .3079 3 ASN 3 -2.5793 .2165 999.9900 999.9900 .7518 -.5370 .1389 .2266 .1901 -.2491 4 ALA 4 -2.2766 999.9900 999.9900 999.9900 -1.3426 -1.8096 .1912 .2593 .2309 -.7921 5 GLU 5 -1.6450 .6653 999.9900 -1.0323 .7127 -.3248 -5.2215 -.0228 -2.1889 -1.0906 6 PHE 6 -3.6149 -.2091 999.9900 999.9900 -.5721 -1.4654 .1441 -.2202 -.0684 -.8944 7 ASP 7 -.2689 -2.3194 999.9900 999.9900 -.2530 -.9471 -.0404 .3714 .1998 -.5021 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .7618 .3061 .5775 .5560 .5650 .4364 9 ASP 9 .9343 -.5059 999.9900 999.9900 .7118 .3801 .0956 .5999 .3898 .3671 10 LEU 10 -.2246 -1.1113 999.9900 999.9900 .3346 -.3338 .3776 .5283 .4655 -.0191 11 PRO 11 .0321 999.9900 999.9900 999.9900 .7618 .3969 .6425 .5621 .5956 .4996 12 GLY 12 .8874 999.9900 999.9900 999.9900 -.3452 .2711 .4389 .6407 .5510 .4055 13 GLY 13 .9290 999.9900 999.9900 999.9900 .5429 .7359 .3373 .5145 .4358 .5809 14 GLY 14 .5072 999.9900 999.9900 999.9900 -1.0172 -.2550 .4191 .4670 .4457 .0940 15 LEU 15 -.7230 .8710 999.9900 999.9900 .4774 .2085 -.0339 .3777 .2062 .1939 16 HIS 16 -.8643 .8438 999.9900 999.9900 .2322 .0706 -.0185 .5246 .2983 .1436 17 ARG 17 -.1504 -2.8571 999.9900 .9503 -2.3710 -.6956 -.3295 .3142 .0460 -.4990 18 CYS 18 .0411 999.9900 .1296 999.9900 -.6280 -.1524 -.0597 .3340 .1700 -.0366 19 LEU 19 .8475 .8730 999.9900 999.9900 -.0758 .5482 .2718 .6396 .4863 .5112 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .8152 .3520 .6330 .6217 .6264 .4897 21 CYS 21 -1.3337 999.9900 1.5962 999.9900 .4013 .2213 .6370 .2352 .4026 .3072 22 ALA 22 -2.8370 999.9900 999.9900 999.9900 -.4068 -1.6219 .4593 .3389 .3890 -.6114 23 ARG 23 -.5614 -2.8571 999.9900 1.0856 -1.3564 -.5208 -.0493 .2785 .1420 -.3392 24 TYR 24 -.0710 -.0856 999.9900 999.9900 .3421 .0618 -.1977 .3613 .1284 .0698 25 PHE 25 .0766 .0765 999.9900 999.9900 -.0962 .0190 .5394 .6192 .5860 .2431 26 ILE 26 .4667 -.4893 999.9900 999.9900 .5300 .1691 .4556 .4117 .4300 .2749 27 ASP 27 -1.2415 -1.4542 999.9900 999.9900 .8104 -.6284 .3875 .4793 .4411 -.2037 28 SER 28 1.0911 999.9900 -.0289 999.9900 .8558 .6393 .5668 .6113 .5927 .6192 29 THR 29 1.2375 999.9900 -.8810 999.9900 .6112 .3225 .5028 .5826 .5494 .4106 30 ASN 30 1.1272 -.2921 999.9900 999.9900 -.3577 .1592 .3352 .5219 .4441 .2669 31 LEU 31 .8182 -2.9612 999.9900 999.9900 .7139 -.4763 -1.1122 .1415 -.3809 -.4799 32 LYS 32 1.2214 -2.4344 999.9900 .8261 -.2082 .0462 .2164 -.0195 .0788 .0612 33 THR 33 .8748 999.9900 .0483 999.9900 .1092 .3441 .4140 .5930 .5184 .4079 34 HIS 34 .4792 -.2881 999.9900 999.9900 .4328 .2080 .1672 .2157 .1955 .2014 35 PHE 35 -.3437 -.7766 999.9900 999.9900 .2172 -.3010 .4287 .2089 .3005 -.0531 36 ARG 36 .3315 .1080 999.9900 .1593 -1.7309 -.1945 .1727 .4077 .3098 -.0561 37 SER 37 -2.2020 999.9900 .3727 999.9900 -.6377 -.8223 .0662 .4752 .3048 -.3851 38 LYS 38 .4938 .1550 999.9900 .8261 .2547 .5111 .3659 .4452 .4121 .4810 39 ASP 39 .8349 -.8657 999.9900 999.9900 .4469 .1387 .0711 .3925 .2585 .1759 40 HIS 40 .6603 -.9211 999.9900 999.9900 .3381 .0257 -2.4938 .6093 -.6837 -.3615 41 LYS 41 .6780 1.0637 999.9900 .4411 -2.0338 .1180 -.4846 -.0332 -.2213 .0104 42 LYS 42 1.2214 -.1469 999.9900 .6315 .7460 .6167 .4897 .5549 .5277 .5897 43 ARG 43 .8469 -.5225 999.9900 1.0005 .2455 .5142 .5483 .4911 .5149 .5158 44 LEU 44 .6296 -1.0469 999.9900 999.9900 .4774 .0200 .4366 .3283 .3734 .1650 45 LYS 45 .6780 -1.8181 999.9900 .1140 .2547 -.1315 .4854 .5512 .5238 .0542 46 GLN 46 1.2265 -2.6982 999.9900 1.3059 -.0576 -.0559 .3898 -.0831 .1139 .0139 47 LEU 47 .6509 -2.3037 999.9900 999.9900 .8331 -.2732 .5320 .0782 .2673 -.0419 48 SER 48 -3.7598 999.9900 -.0289 999.9900 .7151 -1.0245 .2196 -.0813 .0441 -.5870 49 VAL 49 -2.6451 999.9900 .5873 999.9900 .6734 -.4615 .3782 .5974 .5060 -.0818 50 GLU 50 -3.2255 -2.8418 999.9900 -1.0323 .7127 -1.5967 -.9357 -.4467 -.6504 -1.2949 51 PRO 51 -.1223 999.9900 999.9900 999.9900 .7618 .3198 .2269 .6666 .4834 .3833 52 TYR 52 -.2656 -.6802 999.9900 999.9900 .2066 -.2464 -.7309 .6113 .0520 -.1718 53 SER 53 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 -3.6094 .2301 -1.3697 -.7803 54 GLN 54 -.4076 .6267 999.9900 1.3059 -2.2865 -.1904 .5491 .2881 .3969 .0126 55 GLU 55 -2.5676 .8034 999.9900 -1.0323 -1.2865 -1.0207 .3534 -.4733 -.1288 -.7005 56 GLU 56 .7157 .4305 999.9900 -1.0323 .3568 .1177 .6784 .2637 .4365 .2354 57 ALA 57 -.9610 999.9900 999.9900 999.9900 .4419 -.2595 -1.2467 .4530 -.2552 -.3282 58 GLU 58 -2.3953 .6194 999.9900 1.7325 -.1867 -.0575 .0822 .5628 .3625 .0691 59 ARG 59 -1.4318 1.0644 999.9900 1.1817 -.0761 .3839 .0085 .6462 .3805 .3678 60 ALA 60 -.6134 999.9900 999.9900 999.9900 -.3587 -.4861 .5195 .2612 .3688 -.0479 61 ALA 61 -2.6726 999.9900 999.9900 999.9900 -1.6579 -2.1652 .1207 -.2128 -.0739 -1.1057 62 GLY 62 -2.2927 999.9900 999.9900 999.9900 -.1733 -1.2330 -.3340 .6362 .2050 -.5410 63 MET 63 -1.9811 .5321 999.9900 .9587 .4206 -.0174 -.2353 .5566 .2266 .0419 64 GLY 64 -1.6434 999.9900 999.9900 999.9900 .5429 -.5503 -1.3565 .6638 -.2341 -.4483 65 SER 65 -1.0753 999.9900 .3727 999.9900 .7151 .0042 -.0309 .6493 .3659 .1262 66 TYR 66 -.5975 .4960 999.9900 999.9900 .2066 .0350 -.5593 .5244 .0729 .0140 67 VAL 67 999.9900 999.9900 .4980 999.9900 999.9900 .4980 .3742 .1905 .2692 .3542 Means: -.4500 -.5706 .1773 .5574 .0192 -.1603 -.0245 .3641 .2013 -.0311 2.00 refined_5