1 ASP 1 999.9900 -.7325 999.9900 999.9900 .0868 -.3229 .5832 .2630 .4085 .0501 2 PRO 2 -.0828 999.9900 999.9900 999.9900 .1187 .0180 .5537 .0958 .2866 .1714 3 ASN 3 -1.7258 .2165 999.9900 999.9900 .5940 -.3051 .2723 .3110 .2949 -.0664 4 ALA 4 -2.0449 999.9900 999.9900 999.9900 .6390 -.7030 -.7776 .4422 -.0661 -.4353 5 GLU 5 -2.8104 -.3559 999.9900 -1.0323 .3899 -.9522 -.3924 .3201 .0232 -.6468 6 PHE 6 -3.6149 .8396 999.9900 999.9900 .7193 -.6853 -.1196 .5323 .2607 -.3286 7 ASP 7 -.9091 -1.1646 999.9900 999.9900 .2216 -.6173 .5120 .2238 .3439 -.2232 8 PRO 8 -1.3449 999.9900 999.9900 999.9900 .7618 -.2915 .1836 .5490 .3967 .0374 9 ASP 9 -.4109 -1.4542 999.9900 999.9900 .4469 -.4727 .3710 .5551 .4784 -.0984 10 LEU 10 -.4786 -1.5832 999.9900 999.9900 .9730 -.3629 .4173 .5488 .4940 -.0245 11 PRO 11 .0321 999.9900 999.9900 999.9900 .6931 .3626 .5991 .5519 .5716 .4690 12 GLY 12 .8874 999.9900 999.9900 999.9900 .6270 .7572 .5916 .6278 .6117 .6834 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.0291 .3939 .5846 .6196 .6041 .4980 14 GLY 14 1.0314 999.9900 999.9900 999.9900 -.8367 .0974 .6619 .6215 .6395 .3695 15 LEU 15 -.5279 .8730 999.9900 999.9900 .1683 .1711 -.2510 .4663 .1674 .1457 16 HIS 16 -.8643 1.1064 999.9900 999.9900 .4328 .2250 -.6901 .4090 -.0490 .0788 17 ARG 17 -.1504 -.5468 999.9900 .1593 -1.7309 -.4219 -1.0239 .5026 -.1334 -.3758 18 CYS 18 .0411 999.9900 .1296 999.9900 .0994 .0900 -.4890 .1884 -.0938 -.0061 19 LEU 19 .8475 .8730 999.9900 999.9900 .5293 .7499 -.0164 .6277 .3593 .5722 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .6227 .2565 .5798 .6110 .5980 .4259 21 CYS 21 -1.1459 999.9900 .1296 999.9900 .5249 -.1638 .5820 .4044 .4784 .0990 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .4617 -.6318 .4736 .5438 .5145 -.0615 23 ARG 23 -.2612 .1897 999.9900 .5548 -.0761 .1924 .0975 .6093 .3961 .2384 24 TYR 24 -.0710 .2322 999.9900 999.9900 .7784 .3132 -.4043 .2686 -.0118 .1608 25 PHE 25 .0766 .5589 999.9900 999.9900 -2.2412 -.5352 .5797 .6498 .6206 -.0752 26 ILE 26 -.4094 -2.2551 999.9900 999.9900 .8537 -.6036 .2226 .2953 .2650 -.2586 27 ASP 27 -1.2415 -.5059 999.9900 999.9900 .5431 -.4014 .4929 .5869 .5478 -.0249 28 SER 28 .8349 999.9900 .8786 999.9900 .5215 .7450 .4612 .5407 .5076 .6474 29 THR 29 1.2375 999.9900 -.8810 999.9900 .1092 .1552 .5268 .6098 .5752 .3205 30 ASN 30 1.3908 -.4258 999.9900 999.9900 .4024 .4558 -.2990 .5538 .1984 .3244 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .4227 -.6540 -.5117 .0538 -.1819 -.4840 32 LYS 32 1.0429 .2165 999.9900 .8043 .2547 .6245 .5774 .6463 .6176 .6209 33 THR 33 .8748 999.9900 1.4642 999.9900 .3342 .8911 .5644 .5542 .5585 .7584 34 HIS 34 .4792 -.1773 999.9900 999.9900 .5185 .2734 -.2277 .2595 .0565 .1704 35 PHE 35 -.5116 -.5318 999.9900 999.9900 .4513 -.1973 .3017 -.0708 .0844 -.0722 36 ARG 36 -.1045 1.0644 999.9900 .5548 -2.3710 -.0603 .5040 .3690 .4253 .0816 37 SER 37 -3.7598 999.9900 .3727 999.9900 -1.9795 -1.7889 .0050 .2010 .1193 -1.0321 38 LYS 38 .1686 1.1488 999.9900 1.3578 -.2082 .7650 .0438 .2050 .1378 .5819 39 ASP 39 1.1359 -1.3328 999.9900 999.9900 .2216 .0082 .3581 .5646 .4786 .1895 40 HIS 40 .6603 -.7214 999.9900 999.9900 -1.6368 -.5660 -3.5467 .2747 -1.3176 -.9940 41 LYS 41 .4938 .7798 999.9900 .1731 -1.0384 .1163 -.8805 -.7729 -.8177 -.1532 42 LYS 42 1.0838 .4325 999.9900 .6812 .6340 .7025 .1876 .6864 .4786 .6267 43 ARG 43 .8469 -.2334 999.9900 1.7915 -.4506 .7492 -.2715 .2559 .0362 .5329 44 LEU 44 .8442 .3261 999.9900 999.9900 .5293 .5666 -.8405 -.7847 -.8079 .0149 45 LYS 45 .8536 .2165 999.9900 -.4035 .7669 .2060 .5872 .6759 .6389 .3276 46 GLN 46 .7370 .4956 999.9900 1.3059 -.0576 .6202 .5918 .6447 .6227 .6196 47 LEU 47 .6509 -1.4036 999.9900 999.9900 .7348 -.0060 .5152 .2517 .3615 .1498 48 SER 48 -3.2405 999.9900 -.7153 999.9900 -.5437 -1.4998 .0679 .1455 .1132 -.8572 49 VAL 49 -2.8391 999.9900 .1416 999.9900 -1.3636 -1.3537 .4443 .5835 .5255 -.6066 50 GLU 50 -3.2255 .8034 999.9900 -1.0323 -1.0906 -1.1363 .6123 -.0417 .2308 -.6624 51 PRO 51 -4.5055 999.9900 999.9900 999.9900 .6188 -1.9434 -.8700 .3208 -.1754 -1.1090 52 TYR 52 -2.5417 .4830 999.9900 999.9900 -.5629 -.8739 -.4225 -.3585 -.3852 -.6805 53 SER 53 -1.2119 999.9900 .3727 999.9900 -.7427 -.5273 .1402 .1689 .1570 -.2545 54 GLN 54 -2.2003 -.0698 999.9900 1.3059 .1963 -.1920 .4678 -1.2635 -.5421 -.2606 55 GLU 55 -2.1524 .6231 999.9900 .3501 .5112 -.1670 .3207 .3247 .3231 -.0038 56 GLU 56 -1.5650 -.3402 999.9900 -1.0323 -.3220 -.8149 .2036 -.0841 .0358 -.5233 57 ALA 57 -1.9992 999.9900 999.9900 999.9900 .8152 -.5920 -.8538 .5540 -.0326 -.3709 58 GLU 58 -.8591 .7809 999.9900 -1.0323 .2491 -.2154 .1410 .6191 .4199 -.0169 59 ARG 59 -.5383 .3427 999.9900 .1593 .6017 .1450 .5219 .6290 .5843 .2679 60 ALA 60 -1.8806 999.9900 999.9900 999.9900 -.0775 -.9790 .6296 .6051 .6153 -.1808 61 ALA 61 -.4579 999.9900 999.9900 999.9900 .7881 .1651 .6175 .6139 .6154 .3904 62 GLY 62 1.0529 999.9900 999.9900 999.9900 .8277 .9403 .2820 .5945 .4556 .6893 63 MET 63 -1.6625 -.2135 999.9900 .9587 .4206 -.1242 -.3503 -.0935 -.2005 -.1568 64 GLY 64 -2.9723 999.9900 999.9900 999.9900 -.3938 -1.6830 .0351 .4569 .2695 -.7185 65 SER 65 -3.7598 999.9900 .3727 999.9900 -.2435 -1.2102 .5510 .4273 .4788 -.5305 66 TYR 66 .2641 .7834 999.9900 999.9900 .5127 .5201 -.5305 .4869 .0629 .3033 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.9068 -.3090 -.5652 -.7648 Means: -.6545 -.0985 .1079 .4092 .0717 -.1384 .0591 .3351 .2195 -.0079 2.00 refined_8