1 ASP 1 999.9900 -.4551 999.9900 999.9900 -.6624 -.5587 .4001 .1534 .2655 -.1410 2 PRO 2 -3.1574 999.9900 999.9900 999.9900 .6931 -1.2322 -.0062 .5678 .3286 -.4757 3 ASN 3 .6639 -1.0148 999.9900 999.9900 -.1777 -.1762 .6421 .5826 .6074 .1392 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 -.0105 -1.7376 .3396 -.1087 .0781 -.8111 5 GLU 5 -2.1524 .8034 999.9900 -1.0323 -.1867 -.6420 -.4197 .4176 .0687 -.4283 6 PHE 6 .0058 .8308 999.9900 999.9900 -.3041 .1775 -.8059 .3010 -.1602 .0055 7 ASP 7 -1.3872 -1.1348 999.9900 999.9900 .5733 -.6496 .5439 .0607 .2620 -.2688 8 PRO 8 -1.4874 999.9900 999.9900 999.9900 .6931 -.3972 .3946 .4200 .4094 .0051 9 ASP 9 -.0867 -.2599 999.9900 999.9900 -1.0225 -.4564 .3329 .3942 .3687 -.1284 10 LEU 10 -.7510 -1.3405 999.9900 999.9900 -2.5031 -1.5316 .2745 .3545 .3212 -.7931 11 PRO 11 -.4824 999.9900 999.9900 999.9900 .4949 .0063 -.5479 -.0805 -.2752 -.1540 12 GLY 12 -1.5840 999.9900 999.9900 999.9900 -.2133 -.8987 -.0046 .5049 .2785 -.3242 13 GLY 13 .3568 999.9900 999.9900 999.9900 -1.0172 -.3302 .1175 .5677 .3676 .0062 14 GLY 14 -1.0150 999.9900 999.9900 999.9900 -1.3818 -1.1984 .2418 .5867 .4335 -.3920 15 LEU 15 -.9596 .5563 999.9900 999.9900 -2.5031 -.9688 -.9292 -.0542 -.4188 -.7779 16 HIS 16 -1.0475 -.0777 999.9900 999.9900 .4328 -.2308 -.7981 .4929 -.0450 -.1995 17 ARG 17 -.6367 -1.0788 999.9900 .7862 .1299 -.0026 .1170 .3927 .2778 .0709 18 CYS 18 -.0684 999.9900 .1296 999.9900 -.6280 -.1889 -.1399 .3856 .1666 -.0642 19 LEU 19 .8786 .8730 999.9900 999.9900 .4774 .7430 .3846 .6621 .5465 .6551 20 ALA 20 -.1113 999.9900 999.9900 999.9900 -.0105 -.0609 .6245 .6121 .6173 .2787 21 CYS 21 -.8048 999.9900 1.2918 999.9900 -.3261 .0536 .4056 .1702 .2683 .1473 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 .5367 -.8363 .4872 .3639 .4153 -.2054 23 ARG 23 -.5614 1.0644 999.9900 .6901 -1.0907 .1585 -.8153 .5428 -.0230 .0743 24 TYR 24 .0686 .3309 999.9900 999.9900 .2769 .2255 -1.8528 .1567 -.6806 -.2039 25 PHE 25 .1161 .5589 999.9900 999.9900 -1.2178 -.1809 .0585 .4883 .3092 .0008 26 ILE 26 -.4035 -.0414 999.9900 999.9900 -.3927 -.2792 .0978 .4338 .2938 -.0612 27 ASP 27 -1.2094 -.7152 999.9900 999.9900 .4469 -.4926 .5242 .5564 .5430 -.0794 28 SER 28 1.0911 999.9900 1.2119 999.9900 .3425 .8818 .6642 .4047 .5128 .7429 29 THR 29 1.1372 999.9900 -.8810 999.9900 .4476 .2346 .3751 .6273 .5222 .3412 30 ASN 30 1.1272 -.2921 999.9900 999.9900 -.4633 .1239 .5667 .6456 .6127 .3168 31 LEU 31 .8182 -3.3760 999.9900 999.9900 .0933 -.8215 -.4242 .1621 -.0822 -.5453 32 LYS 32 .6780 1.2989 999.9900 .3546 -1.2036 .2965 .5092 .1808 .3176 .3104 33 THR 33 .8748 999.9900 .9776 999.9900 -.6102 .4141 .4078 .5260 .4768 .4352 34 HIS 34 .9933 -2.4183 999.9900 999.9900 -.6493 -.6915 .2935 .2260 .2541 -.3110 35 PHE 35 -.3794 -.5318 999.9900 999.9900 .5949 -.1054 .4170 -.0221 .1609 .0157 36 ARG 36 -.6641 1.1781 999.9900 .6901 -1.7309 .0327 .3616 .4273 .3999 .1360 37 SER 37 -2.7213 999.9900 -.0289 999.9900 -.4586 -1.0696 -.7517 .1919 -.2013 -.7537 38 LYS 38 .7090 .1550 999.9900 .3240 .2547 .3533 .6107 .4899 .5402 .4096 39 ASP 39 1.1359 -.8657 999.9900 999.9900 .6310 .3004 .2681 .3679 .3264 .3075 40 HIS 40 .8901 -.1263 999.9900 999.9900 -.6493 .0382 -2.2482 .5311 -.6270 -.3205 41 LYS 41 .6780 .6560 999.9900 .4996 -2.0338 .0599 -.8521 .4190 -.1106 -.0191 42 LYS 42 1.2214 .4325 999.9900 .1140 .2547 .4273 .5515 .6445 .6057 .4761 43 ARG 43 .6655 -2.8571 999.9900 1.3169 .9385 .2761 .2647 .2945 .2821 .2771 44 LEU 44 .6509 .8847 999.9900 999.9900 -.0758 .4866 .4519 .6115 .5450 .5046 45 LYS 45 .9480 .0031 999.9900 -.0770 .7460 .3086 .5847 .4888 .5288 .3738 46 GLN 46 .7370 1.0195 999.9900 1.3059 .0346 .7743 .6496 .5395 .5854 .7144 47 LEU 47 -.2311 -1.5262 999.9900 999.9900 .5787 -.3928 .0814 .6560 .4166 -.0882 48 SER 48 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .0041 .5481 .3214 -.5466 49 VAL 49 -.2793 999.9900 .4980 999.9900 -.3121 -.0311 .2287 .2951 .2674 .0861 50 GLU 50 -1.2298 1.1195 999.9900 -1.0323 .5390 -.1509 .1506 .2850 .2290 -.0280 51 PRO 51 -2.8996 999.9900 999.9900 999.9900 .1827 -1.3584 .2012 .2024 .2019 -.5783 52 TYR 52 -2.3553 .4290 999.9900 999.9900 -.7591 -.8951 -.8871 .3164 -.1851 -.6512 53 SER 53 -1.8383 999.9900 -.0289 999.9900 .0747 -.5975 -.6556 .3681 -.0584 -.4160 54 GLN 54 -1.8275 .6315 999.9900 1.3059 -1.6155 -.3764 .0257 -.0780 -.0348 -.2597 55 GLU 55 -1.7894 .4207 999.9900 -1.0323 .3899 -.5028 .6774 .4929 .5698 -.1401 56 GLU 56 1.0761 -.6497 999.9900 -1.0323 .6424 .0091 -.0079 .5357 .3092 .0941 57 ALA 57 -1.7531 999.9900 999.9900 999.9900 .3801 -.6865 .3796 .2595 .3095 -.1835 58 GLU 58 -3.2255 1.2230 999.9900 -1.0323 -.3984 -.8583 .4337 .3657 .3941 -.4390 59 ARG 59 -2.9267 .1897 999.9900 1.3169 -.5739 -.1354 .4823 .5135 .5005 .0455 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .8018 -1.3314 .2930 .1283 .1969 -.5604 61 ALA 61 -2.8370 999.9900 999.9900 999.9900 .0520 -1.3925 -.4473 .5136 .1132 -.6797 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .5429 -1.4718 .4835 .6590 .5810 -.4502 63 MET 63 -.3063 .8879 999.9900 .9587 -.3043 .3090 .4275 .6832 .5767 .3911 64 GLY 64 -2.9723 999.9900 999.9900 999.9900 .2782 -1.3470 -.0553 .7026 .3657 -.5117 65 SER 65 -2.4175 999.9900 -.7153 999.9900 -.1244 -1.0857 .3446 .5584 .4693 -.4708 66 TYR 66 -.2794 .7421 999.9900 999.9900 .3421 .2682 -.9154 .5392 -.0669 .0857 67 VAL 67 999.9900 999.9900 .8662 999.9900 999.9900 .8662 .3178 .0251 .1506 .4030 Means: -.7567 -.0603 .2369 .3728 -.1673 -.2353 .0556 .3901 .2500 -.0564 2.00 refined_1