1 ASP 1 999.9900 -.3623 999.9900 999.9900 -.4783 -.4203 .3530 .1742 .2555 -.0784 2 PRO 2 -.4724 999.9900 999.9900 999.9900 .9143 .2210 .4653 .5590 .5199 .3665 3 ASN 3 .6639 .3924 999.9900 999.9900 .3127 .4563 .5463 .3058 .4060 .4442 4 ALA 4 -3.0686 999.9900 999.9900 999.9900 -2.5165 -2.7926 .5285 .0324 .2391 -1.2561 5 GLU 5 -.1289 .7809 999.9900 -1.0323 -.4821 -.2156 -.0347 -.0466 -.0416 -.1573 6 PHE 6 -.7450 .1164 999.9900 999.9900 .2172 -.1371 -.2363 .0196 -.0870 -.1256 7 ASP 7 -.3017 -1.2276 999.9900 999.9900 .4469 -.3608 .6711 .2532 .4273 -.0316 8 PRO 8 -.8137 999.9900 999.9900 999.9900 .8563 .0213 .3789 .4854 .4410 .2267 9 ASP 9 -.4109 -.2599 999.9900 999.9900 -.3974 -.3561 -.1163 .4676 .2243 -.1434 10 LEU 10 -.2787 -1.1684 999.9900 999.9900 -.2242 -.5571 .3604 .3634 .3622 -.1895 11 PRO 11 .0321 999.9900 999.9900 999.9900 .8563 .4442 .6580 .1319 .3511 .4196 12 GLY 12 .8874 999.9900 999.9900 999.9900 .8016 .8445 .4575 .5587 .5137 .6763 13 GLY 13 .8169 999.9900 999.9900 999.9900 -1.2432 -.2131 .4920 .4332 .4594 .1247 14 GLY 14 .9290 999.9900 999.9900 999.9900 .0951 .5121 .6718 .6149 .6402 .5777 15 LEU 15 -.9596 .8730 999.9900 999.9900 -.2242 -.1036 -.1229 .6030 .3006 .0339 16 HIS 16 -1.4902 1.1064 999.9900 999.9900 .5967 .0710 -.5979 .4424 .0089 .0115 17 ARG 17 -.0671 1.0644 999.9900 .9503 -2.3710 .1054 -1.5772 .1488 -.5704 -.1288 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 -.1862 .1030 -.0175 -.3387 19 LEU 19 .8475 .8730 999.9900 999.9900 .4227 .7144 .3224 .6665 .5231 .6264 20 ALA 20 .8001 999.9900 999.9900 999.9900 .7881 .7941 .6419 .6742 .6607 .7261 21 CYS 21 -.3751 999.9900 .1296 999.9900 .8268 .1938 .3968 .2262 .2973 .2409 22 ALA 22 -1.7531 999.9900 999.9900 999.9900 .6550 -.5490 .4958 .4845 .4892 -.0294 23 ARG 23 -.3884 1.0644 999.9900 .1593 -.5739 .0841 -.5866 .5005 .0475 .0478 24 TYR 24 .0686 .3565 999.9900 999.9900 .6984 .3745 -.7762 .1856 -.2151 .1066 25 PHE 25 .1161 .5589 999.9900 999.9900 -.0962 .1929 .1118 .6200 .4082 .2621 26 ILE 26 1.0115 -3.0500 999.9900 999.9900 .2216 -.6056 .3001 .4845 .4077 -.2065 27 ASP 27 -1.1787 -1.4542 999.9900 999.9900 .4469 -.7287 .5389 .5755 .5603 -.2143 28 SER 28 .8349 999.9900 .3727 999.9900 .5215 .5764 .5207 .4884 .5019 .5476 29 THR 29 .8748 999.9900 -.2947 999.9900 .5490 .3764 .5944 .6117 .6045 .4671 30 ASN 30 1.0488 -.2921 999.9900 999.9900 .7224 .4930 -.3485 .4947 .1434 .3251 31 LEU 31 .9913 -2.3037 999.9900 999.9900 -.1229 -.4784 -.2538 -.0137 -.1137 -.3406 32 LYS 32 .9451 .2033 999.9900 .1731 .2547 .3498 .2303 .6268 .4616 .3723 33 THR 33 .8748 999.9900 .8779 999.9900 .5164 .7564 .3936 .4586 .4315 .6243 34 HIS 34 .4792 .6357 999.9900 999.9900 .5185 .5444 -.1487 -.1574 -.1537 .2654 35 PHE 35 -.3437 -.7766 999.9900 999.9900 1.0159 -.0348 .4606 -.5712 -.1413 -.0430 36 ARG 36 -.5614 1.0858 999.9900 .1593 -2.3710 -.3056 .3531 .3847 .3715 -.1129 37 SER 37 -1.1635 999.9900 .3727 999.9900 .4364 -.1181 -.1487 .4391 .1942 -.0128 38 LYS 38 .4938 -1.9682 999.9900 .3546 .7460 -.0038 .0386 .2813 .1802 .0430 39 ASP 39 1.1285 -.9533 999.9900 999.9900 .6310 .2688 -.4649 .6179 .1667 .1918 40 HIS 40 .6603 -.9211 999.9900 999.9900 -.6493 -.3034 -2.7079 .4877 -.8438 -.6261 41 LYS 41 .6780 .6560 999.9900 .3240 -2.6618 -.1359 -.2793 -.4334 -.3692 -.1989 42 LYS 42 1.2214 .3079 999.9900 -.0397 .7669 .4434 .4886 .2547 .3522 .4229 43 ARG 43 .8469 -2.8571 999.9900 .6901 -.0022 -.1265 .4796 .2190 .3276 .0095 44 LEU 44 .8442 -1.0469 999.9900 999.9900 -.0758 -.0928 .3811 .5736 .4934 .1352 45 LYS 45 1.2214 -.2695 999.9900 .3546 .8457 .5014 .6192 .5961 .6057 .5317 46 GLN 46 .9013 1.1250 999.9900 1.3059 .5636 .9739 .6799 .6697 .6739 .8742 47 LEU 47 .8475 -1.4036 999.9900 999.9900 .9730 .1389 .4132 .2408 .3126 .2142 48 SER 48 -3.2405 999.9900 -.0289 999.9900 .7781 -.8304 .5371 .2244 .3547 -.3460 49 VAL 49 .3041 999.9900 -.2457 999.9900 .2505 .1030 .1931 .4309 .3318 .1866 50 GLU 50 -3.2255 .7809 999.9900 -1.0323 .4526 -.7561 .4563 .5288 .4986 -.3399 51 PRO 51 -4.5055 999.9900 999.9900 999.9900 -.4005 -2.4530 -.1711 .0660 -.0328 -1.2528 52 TYR 52 -.5197 .5297 999.9900 999.9900 .6984 .2362 -1.9375 .5547 -.4837 -.1349 53 SER 53 .2423 999.9900 .3727 999.9900 .5991 .4047 -1.9452 -.0214 -.8230 -.1505 54 GLN 54 -1.9302 .6267 999.9900 1.3059 .6605 .1657 -.8921 -.4509 -.6347 -.1133 55 GLU 55 -2.3953 .8332 999.9900 -1.0323 -1.8950 -1.1223 -.1887 -.5901 -.4229 -.8780 56 GLU 56 -1.0314 -.2267 999.9900 .3501 -.9305 -.4596 .1682 .2327 .2058 -.2396 57 ALA 57 -3.0686 999.9900 999.9900 999.9900 .0520 -1.5083 .1142 .4180 .2914 -.6211 58 GLU 58 -2.1524 .6046 999.9900 -1.0323 .2101 -.5925 -.9955 .5223 -.1101 -.4739 59 ARG 59 -1.0149 1.1781 999.9900 .1593 .3956 .1755 -.1348 .4705 .2183 .1733 60 ALA 60 -1.9568 999.9900 999.9900 999.9900 .4999 -.7285 -.4976 .4651 .0640 -.3724 61 ALA 61 -2.1491 999.9900 999.9900 999.9900 .7458 -.7016 -1.1665 .3228 -.2977 -.5617 62 GLY 62 -.2842 999.9900 999.9900 999.9900 .8277 .2717 -1.2034 .6402 -.1791 -.0049 63 MET 63 -1.2302 -.2135 999.9900 .9587 -1.9874 -.6181 .2969 .4999 .4153 -.2793 64 GLY 64 -1.4779 999.9900 999.9900 999.9900 -.6865 -1.0822 -.3769 -.2511 -.3070 -.6981 65 SER 65 -.7578 999.9900 -.0289 999.9900 .7781 -.0028 -.2366 .0722 -.0565 -.0346 66 TYR 66 -.1748 .5582 999.9900 999.9900 .1301 .1712 -.3033 .3663 .0873 .1153 67 VAL 67 999.9900 999.9900 -.0276 999.9900 999.9900 -.0276 .4328 .5535 .5018 .3196 Means: -.3687 -.1084 .1481 .2272 .0473 -.0819 -.0392 .3163 .1674 .0050 2.00 refined_17