1 ASP 1 999.9900 -1.5469 999.9900 999.9900 .6856 -.4307 .5718 .3341 .4421 .0111 2 PRO 2 .0120 999.9900 999.9900 999.9900 .7944 .4032 .6403 .3229 .4552 .4424 3 ASN 3 .0457 -.3237 999.9900 999.9900 .5940 .1054 .1638 -.2405 -.0720 .0479 4 ALA 4 -1.9992 999.9900 999.9900 999.9900 -.1129 -1.0560 .0756 .4213 .2773 -.4038 5 GLU 5 .8733 -.3402 999.9900 -1.0323 1.0761 .1442 .3271 .3668 .3503 .2118 6 PHE 6 -.8057 .7639 999.9900 999.9900 .4513 .1365 .4969 .6854 .6069 .3184 7 ASP 7 -.3726 -1.1062 999.9900 999.9900 .8336 -.2150 .6554 .2906 .4426 .0602 8 PRO 8 -3.5209 999.9900 999.9900 999.9900 .3519 -1.5845 -.0725 .5447 .2875 -.6742 9 ASP 9 -1.0430 -1.1062 999.9900 999.9900 .1337 -.6718 .2758 .3831 .3384 -.2713 10 LEU 10 -.7094 .5280 999.9900 999.9900 -3.2047 -1.1287 .3123 .3352 .3257 -.5477 11 PRO 11 -4.1421 999.9900 999.9900 999.9900 -.1935 -2.1678 .1458 -.4596 -.2073 -1.1623 12 GLY 12 -2.1575 999.9900 999.9900 999.9900 -.0291 -1.0933 .5080 .6291 .5753 -.2624 13 GLY 13 .8169 999.9900 999.9900 999.9900 -2.0052 -.5942 .3172 .3995 .3629 -.1179 14 GLY 14 .6686 999.9900 999.9900 999.9900 .6270 .6478 .5553 .6736 .6211 .6311 15 LEU 15 -.8032 -1.4996 999.9900 999.9900 .4774 -.6084 .4359 .4640 .4523 -.1851 16 HIS 16 -1.9498 .9673 999.9900 999.9900 .2322 -.2501 -1.2846 -.3406 -.7340 -.4751 17 ARG 17 -1.3837 -1.2607 999.9900 .5548 .7064 -.1657 -.1224 .3267 .1396 -.0891 18 CYS 18 -.1674 999.9900 .1296 999.9900 -.6280 -.2219 .1733 .5616 .3998 .0138 19 LEU 19 .8475 -1.4996 999.9900 999.9900 .7753 .0411 .1868 .5291 .3864 .1678 20 ALA 20 -.1113 999.9900 999.9900 999.9900 -.1129 -.1121 .5521 .5944 .5768 .2306 21 CYS 21 -1.3337 999.9900 .1296 999.9900 .4013 -.2676 .4118 .4121 .4119 .0042 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0775 -1.1434 .5505 .3691 .4447 -.3418 23 ARG 23 -.5614 .7735 999.9900 .5548 -1.7309 -.0818 -.3811 .4151 .0834 -.0536 24 TYR 24 -.0390 .2608 999.9900 999.9900 .5127 .2448 -1.0508 .2138 -.3131 -.0205 25 PHE 25 .0766 .8396 999.9900 999.9900 -.0962 .2733 .3526 .5032 .4404 .3351 26 ILE 26 .7958 -.0177 999.9900 999.9900 -1.0155 -.0792 -.0843 .5458 .2833 .0448 27 ASP 27 -1.7533 -1.3328 999.9900 999.9900 .5121 -.8580 .4702 .3132 .3786 -.3581 28 SER 28 1.0911 999.9900 -.0289 999.9900 .5215 .5279 .5081 .5600 .5384 .5304 29 THR 29 .8703 999.9900 .0483 999.9900 .6695 .5294 .5688 .5954 .5843 .5505 30 ASN 30 1.3908 -.0024 999.9900 999.9900 .7224 .7036 .0075 .4789 .2825 .5194 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .7139 -.5569 -.2470 -.0329 -.1221 -.3901 32 LYS 32 1.2214 1.2989 999.9900 -.4035 -.2082 .3010 .4600 .6124 .5489 .3682 33 THR 33 .8748 999.9900 .4804 999.9900 -.3332 .3407 .5414 .5439 .5428 .4214 34 HIS 34 .4792 -.1773 999.9900 999.9900 .4328 .2449 .3034 .2020 .2443 .2480 35 PHE 35 -.3673 -.7766 999.9900 999.9900 .5949 -.1830 .5188 -.1077 .1533 -.0276 36 ARG 36 -.6782 1.0858 999.9900 .1593 -2.3710 -.3290 .3845 .2253 .2917 -.1478 37 SER 37 -1.1405 999.9900 -.7153 999.9900 -2.5979 -1.4846 -.3353 .2014 -.0222 -.9175 38 LYS 38 .7090 .1550 999.9900 .8261 -.3378 .4357 .5295 .3403 .4191 .4354 39 ASP 39 .8349 -3.7306 999.9900 999.9900 .0868 -.9363 -.4783 .4896 .0863 -.5595 40 HIS 40 .0007 -.7214 999.9900 999.9900 -.3908 -.3705 -4.4247 .0230 -1.8302 -1.1026 41 LYS 41 .6780 .6560 999.9900 .3240 -2.6618 -.1359 -1.5036 -.4937 -.9145 -.3824 42 LYS 42 1.0838 .4325 999.9900 .5131 .6576 .6400 .4361 .4935 .4696 .5900 43 ARG 43 1.1353 -.2334 999.9900 .1593 .4407 .3322 .3848 .5825 .5001 .3755 44 LEU 44 1.1349 -1.0469 999.9900 999.9900 -.0308 .0190 .2690 .5255 .4187 .1703 45 LYS 45 1.0429 -2.9005 999.9900 .5131 .4783 -.0706 .1072 -.1496 -.0426 -.0565 46 GLN 46 .7370 1.1250 999.9900 1.3059 .6133 .9453 .4159 .6866 .5738 .8140 47 LEU 47 -.5648 -1.5262 999.9900 999.9900 .4774 -.5379 .0897 .4769 .3156 -.2094 48 SER 48 -1.1635 999.9900 .3727 999.9900 .0290 -.2540 .4000 .5705 .4995 .0417 49 VAL 49 -1.7692 999.9900 .1416 999.9900 .2144 -.4711 .5546 .3741 .4493 -.0969 50 GLU 50 -3.2255 -.4584 999.9900 -1.0323 -.4821 -1.2996 .5032 .1923 .3218 -.7505 51 PRO 51 -2.2783 999.9900 999.9900 999.9900 -1.6867 -1.9825 .6904 .4182 .5316 -.7141 52 TYR 52 -3.6999 .2884 999.9900 999.9900 -1.3683 -1.5933 -1.4397 -.2471 -.7440 -1.2933 53 SER 53 .1787 999.9900 -.7153 999.9900 .7982 .0872 -2.4513 .1224 -.9500 -.4135 54 GLN 54 -1.2769 .6315 999.9900 1.3059 -1.6155 -.2388 -.6565 -.1168 -.3417 -.2881 55 GLU 55 -3.2255 -2.8418 999.9900 .3501 -1.5390 -1.8141 .0465 -1.8594 -1.0653 -1.5115 56 GLU 56 -.6642 1.1195 999.9900 -1.0323 -2.5035 -.7701 .4971 .3488 .4106 -.3724 57 ALA 57 -.6837 999.9900 999.9900 999.9900 -.8374 -.7605 .4780 .3450 .4004 -.1745 58 GLU 58 -3.2255 .4305 999.9900 -1.0323 .0814 -.9365 .0501 .2848 .1870 -.5685 59 ARG 59 -.9010 .7037 999.9900 .6901 -.5739 .1218 .4492 .5367 .5002 .2278 60 ALA 60 -.1113 999.9900 999.9900 999.9900 .2671 .0779 .6655 .5392 .5918 .3401 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.6283 -2.0465 -.3719 -.5704 -.4877 -1.2588 62 GLY 62 -2.9723 999.9900 999.9900 999.9900 -.2990 -1.6357 -.0425 .1156 .0453 -.7996 63 MET 63 -.2651 -.7184 999.9900 .9587 .0476 .0057 .3423 .6161 .5020 .1635 64 GLY 64 -1.9441 999.9900 999.9900 999.9900 -.1733 -1.0587 -4.3580 .6153 -1.5951 -1.4650 65 SER 65 -2.3021 999.9900 -.7153 999.9900 .1597 -.9526 -.0127 .4653 .2661 -.4810 66 TYR 66 -.3370 .5297 999.9900 999.9900 -.0463 .0488 -.5148 .5593 .1118 .0382 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.2491 -.1039 -.1661 -.4773 Means: -.6574 -.3891 -.1774 .2705 -.1927 -.3118 -.0152 .2824 .1577 -.1404 2.00 refined_17