1 ASP 1 999.9900 -1.3328 999.9900 999.9900 -.3226 -.8277 .5239 .2823 .3922 -.2123 2 PRO 2 -4.1421 999.9900 999.9900 999.9900 -.4005 -2.2713 -.4183 .5456 .1440 -1.1038 3 ASN 3 .6990 -.4625 999.9900 999.9900 .9106 .3823 -.2743 .3601 .0958 .2466 4 ALA 4 -3.0686 999.9900 999.9900 999.9900 .8416 -1.1135 .5270 .1905 .3307 -.3774 5 GLU 5 -3.2255 .6046 999.9900 -1.0323 -.6780 -1.0828 -.1326 .2705 .1026 -.6989 6 PHE 6 -.2986 -.0015 999.9900 999.9900 -.9498 -.4166 .5428 .2897 .3952 -.0835 7 ASP 7 -.6293 -1.1062 999.9900 999.9900 -.1266 -.6207 .6214 -.1239 .1867 -.2729 8 PRO 8 -1.7350 999.9900 999.9900 999.9900 .4496 -.6427 .1703 .4523 .3348 -.1657 9 ASP 9 -.4109 -.2599 999.9900 999.9900 .5431 -.0426 -.1663 .5265 .2378 .0465 10 LEU 10 -.1596 -1.8410 999.9900 999.9900 .5293 -.4904 .3825 .3538 .3658 -.1470 11 PRO 11 .4011 999.9900 999.9900 999.9900 -.1935 .1038 .3536 .3756 .3664 .2342 12 GLY 12 .8874 999.9900 999.9900 999.9900 .7039 .7956 .3963 .5442 .4785 .6329 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.7584 .0292 .5716 .5290 .5479 .2898 14 GLY 14 .8169 999.9900 999.9900 999.9900 -.0631 .3769 .0773 .3685 .2391 .2999 15 LEU 15 -1.4020 .8710 999.9900 999.9900 -1.0998 -.5436 -.8491 .0366 -.3324 -.4886 16 HIS 16 -1.4902 .3722 999.9900 999.9900 .5967 -.1738 -.2868 .4870 .1646 -.0642 17 ARG 17 -.9010 -1.2607 999.9900 1.0856 -.2445 -.0470 -.7923 .5200 -.0268 -.0725 18 CYS 18 .0411 999.9900 .1296 999.9900 -.0920 .0263 .2710 .4662 .3848 .1632 19 LEU 19 .8475 .8730 999.9900 999.9900 .9730 .8978 .4637 .6333 .5626 .7581 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .6708 .2805 .5973 .5726 .5829 .4327 21 CYS 21 -.8048 999.9900 1.2918 999.9900 -.3261 .0536 .4263 .2902 .3469 .1755 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0775 -1.1434 .3930 .4706 .4383 -.3558 23 ARG 23 -.5614 .0264 999.9900 .7862 .7064 .3487 -1.1328 .5673 -.1411 .1683 24 TYR 24 -.0710 .5297 999.9900 999.9900 -.2672 .0639 -1.6526 .5002 -.3968 -.1922 25 PHE 25 -1.0802 .5589 999.9900 999.9900 .6382 .0390 -.1630 .6373 .3038 .1183 26 ILE 26 .5785 .2838 999.9900 999.9900 -1.0155 -.0511 .3474 .5035 .4385 .1395 27 ASP 27 -.7969 -1.9171 999.9900 999.9900 .1786 -.8451 .2665 .6654 .4992 -.3207 28 SER 28 .8651 999.9900 .3727 999.9900 .3749 .5376 -.0490 .4909 .2659 .4109 29 THR 29 .9379 999.9900 .2916 999.9900 -1.0006 .0763 .5040 .5138 .5097 .2493 30 ASN 30 1.3908 -.4258 999.9900 999.9900 -.3577 .2025 .2974 .6608 .5094 .3131 31 LEU 31 .6296 -2.9612 999.9900 999.9900 -.0308 -.7875 -.3770 .2560 -.0078 -.4967 32 LYS 32 1.0429 .8340 999.9900 .6177 .0060 .6237 .5441 .6195 .5881 .6117 33 THR 33 .8748 999.9900 .0483 999.9900 .8957 .6062 .3709 .4779 .4333 .5335 34 HIS 34 .9933 .6357 999.9900 999.9900 .5967 .7419 -.0366 .1463 .0701 .4671 35 PHE 35 -.3916 -.7766 999.9900 999.9900 .6382 -.1767 .5128 -.4365 -.0409 -.0907 36 ARG 36 .3315 -2.3766 999.9900 1.3169 -1.3564 -.1535 .3659 -.0253 .1377 -.0610 37 SER 37 -2.2020 999.9900 -.0289 999.9900 -.7427 -.9912 -.0185 .4987 .2832 -.4987 38 LYS 38 .7090 -2.1617 999.9900 .8769 .4783 .1559 .6725 .1333 .3580 .2265 39 ASP 39 .8349 -.7868 999.9900 999.9900 .5431 .1971 .3971 .1262 .2391 .2229 40 HIS 40 .0007 -.7214 999.9900 999.9900 -.6493 -.4567 -2.7425 .1876 -1.0333 -.7850 41 LYS 41 .6780 .6560 999.9900 .2868 -1.6664 .0482 -.6471 -.3660 -.4831 -.1103 42 LYS 42 1.0838 -.1469 999.9900 .1140 .8827 .4095 .3892 .4488 .4240 .4122 43 ARG 43 1.1353 -.7463 999.9900 .5548 .6379 .4273 .3437 .6329 .5124 .4447 44 LEU 44 .6509 -.8335 999.9900 999.9900 .4227 .0800 .2224 .5967 .4407 .2118 45 LYS 45 1.2214 -1.0359 999.9900 .8416 .6576 .5053 .6291 .3462 .4641 .5002 46 GLN 46 .3572 1.0195 999.9900 1.3059 -.4029 .5699 .1697 .4225 .3172 .4786 47 LEU 47 -.5648 .3099 999.9900 999.9900 -.9806 -.4118 .3570 .5921 .4941 -.0573 48 SER 48 -2.9368 999.9900 -.0289 999.9900 -1.1621 -1.3759 .5621 .4702 .5085 -.6191 49 VAL 49 -2.3041 999.9900 -.0276 999.9900 -.1376 -.8231 .2775 .6594 .5002 -.3065 50 GLU 50 -1.6894 -2.8418 999.9900 -1.0323 -1.0906 -1.6635 .4946 .0912 .2593 -1.0114 51 PRO 51 -1.7556 999.9900 999.9900 999.9900 .4021 -.6768 .6801 .1015 .3426 -.1430 52 TYR 52 -3.6999 .4149 999.9900 999.9900 -.1498 -1.1449 -.4291 .2149 -.0535 -.7298 53 SER 53 -.5255 999.9900 -.7153 999.9900 -.6377 -.6262 -.3276 -.1245 -.2091 -.4661 54 GLN 54 -1.4685 .1562 999.9900 1.3059 -.5521 -.1396 -.7108 .1517 -.2077 -.1863 55 GLU 55 -1.6894 .8332 999.9900 -1.0323 -1.8950 -.9459 .2799 .0795 .1630 -.5707 56 GLU 56 -3.2255 .7809 999.9900 -1.0323 -1.0906 -1.1419 -.1294 -.2385 -.1930 -.8226 57 ALA 57 -.5138 999.9900 999.9900 999.9900 -.1129 -.3133 -.4960 .3535 -.0005 -.1923 58 GLU 58 -3.2255 .7809 999.9900 .3501 .2101 -.4711 .2445 -.3056 -.0764 -.3243 59 ARG 59 -2.9267 .8024 999.9900 1.0856 -.2445 -.0395 -.1781 .2935 .0970 -.0118 60 ALA 60 -.4347 999.9900 999.9900 999.9900 .2908 -.0719 -.0316 .5772 .3236 .1004 61 ALA 61 -2.8370 999.9900 999.9900 999.9900 .6550 -1.0910 -.1752 .5955 .2744 -.4404 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .0351 -1.7256 -.0001 .6077 .3376 -.7109 63 MET 63 -.2922 .5321 999.9900 .9587 .4206 .4048 -.1884 .6607 .3069 .3486 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .9364 -1.2750 -.3838 .6762 .2051 -.5644 65 SER 65 -1.0753 999.9900 -.0289 999.9900 .1597 -.3148 .2200 .5421 .4079 -.0364 66 TYR 66 .1557 .5582 999.9900 999.9900 .4594 .3911 .0082 .6291 .3704 .3621 67 VAL 67 999.9900 999.9900 .1416 999.9900 999.9900 .1416 .2423 .3725 .3167 .2521 Means: -.6899 -.2820 .1315 .5330 -.0520 -.2060 .0411 .3549 .2234 -.0478 2.00 refined_11