1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6716 .5155 .5865 .0236 2 THR 2 -.0343 999.9900 -.8810 999.9900 .4476 -.1559 .6581 -.2573 .1241 -.0134 3 GLU 3 -3.2255 -1.6501 999.9900 1.1588 .6899 -.7567 .6768 .5197 .5851 -.3051 4 VAL 4 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .6589 .1225 .3460 -.0459 5 TYR 5 .2641 -.5727 999.9900 999.9900 .5630 .0848 .6767 -.1807 .1766 .1501 6 ASP 6 -.1788 -1.7735 999.9900 999.9900 .8104 -.3806 .6778 .3802 .5042 -.0168 7 LEU 7 -.5127 -3.3760 999.9900 999.9900 .9565 -.9774 .6744 .1546 .3712 -.4207 8 GLU 8 -.6163 -.8834 999.9900 .3501 .6899 -.1149 .6768 .5285 .5903 .1243 9 ILE 9 .0813 -1.4255 999.9900 999.9900 .6034 -.2469 .6533 .0408 .2960 -.0093 10 THR 10 -1.0285 999.9900 -.8810 999.9900 .4476 -.4873 .6595 -.2565 .1251 -.2118 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6581 -.2654 .1194 -.1699 12 ASN 12 -.6931 -1.5725 999.9900 999.9900 .7518 -.5046 .6753 .3858 .5064 -.0905 13 ALA 13 -.8167 999.9900 999.9900 999.9900 .7458 -.0354 .6614 .3137 .4586 .2261 14 THR 14 .3531 999.9900 .0483 999.9900 .4476 .2830 .6579 -.2566 .1244 .2500 15 ASP 15 -1.2415 -2.6388 999.9900 999.9900 .8104 -1.0233 .6768 .3787 .5029 -.4029 16 PHE 16 -.9433 -1.2526 999.9900 999.9900 .7573 -.4795 .4958 .0965 .2629 -.1693 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5501 -.3622 .0180 .2643 18 MET 18 -.8637 -1.4323 999.9900 .9587 .5203 -.2042 .6810 .5234 .5891 .0646 19 GLU 19 -.4325 -2.8418 999.9900 -1.0323 .6899 -.9042 .6780 .5344 .5942 -.4007 20 LYS 20 -.5771 -2.4344 999.9900 -.4035 .7460 -.6145 .6736 .1580 .3728 -.3201 21 LYS 21 -.3038 -.6131 999.9900 -.4035 .7460 -.1956 .6734 .1602 .3740 -.0206 22 TYR 22 .0777 -4.1972 999.9900 999.9900 .5630 -1.1855 .4927 -.1802 .1002 -.6488 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5576 -.3547 .0254 .1661 24 ALA 24 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6667 .3149 .4615 -.3353 25 GLY 25 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5715 .4614 .5103 -.4163 26 MET 26 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6784 .5232 .5878 -.3503 27 SER 27 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6759 .5340 .5931 .1633 28 LEU 28 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6771 .1522 .3709 -.1352 29 ASN 29 .9642 .7768 999.9900 999.9900 .7518 .8310 .6780 .3795 .5039 .7101 30 ASP 30 .9921 -1.2276 999.9900 999.9900 .8104 .1916 .6731 .3762 .4999 .3248 31 LEU 31 .8182 -2.0611 999.9900 999.9900 .9565 -.0954 .6764 .1539 .3716 .1088 32 LYS 32 1.0429 -1.2879 999.9900 -.0397 .7460 .0843 .6740 .1580 .3730 .1791 33 LYS 33 1.0838 -1.6955 999.9900 -.0770 .7460 -.0039 .6805 .1529 .3727 .1162 34 LYS 34 1.2214 -2.1617 999.9900 -.4035 .7460 -.2002 .6753 .1592 .3742 -.0238 35 LEU 35 .8442 -1.2483 999.9900 999.9900 .9565 .1841 .6799 .1549 .3737 .2775 36 GLU 36 .8733 -1.0866 999.9900 .3501 .6899 .2067 .6784 .5318 .5929 .3395 37 LEU 37 .2140 -1.4996 999.9900 999.9900 .9565 -.1097 .6677 .1713 .3781 .1020 38 VAL 38 -1.1682 999.9900 .7395 999.9900 .7810 .1174 .6553 .1337 .3510 .2283 39 VAL 39 -.6856 999.9900 -1.0788 999.9900 .7810 -.3278 .6566 .1277 .3481 -.0398 40 GLY 40 .3568 999.9900 999.9900 999.9900 .7883 .5725 .5819 .4685 .5189 .5489 41 THR 41 -3.6133 999.9900 -.8810 999.9900 .4476 -1.3489 .6644 -.2491 .1315 -.7263 42 THR 42 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6511 -.2585 .1205 -.0419 43 VAL 43 .7260 999.9900 .3968 999.9900 .7810 .6346 .6453 .1252 .3419 .5349 44 ASP 44 .0055 -2.8653 999.9900 999.9900 .8104 -.6832 .6757 .3857 .5066 -.1976 45 SER 45 -1.0348 999.9900 -.7153 999.9900 .6705 -.3599 .6788 .5338 .5942 .0266 46 MET 46 -.7980 -1.5870 999.9900 .9587 .5203 -.2265 .6760 .5166 .5830 .0478 47 ARG 47 -.1685 -1.8960 999.9900 .6901 .8581 .0348 .6794 .5157 .5839 .1955 48 ILE 48 -.2252 -.6653 999.9900 999.9900 .6034 -.0957 .6619 .0367 .2972 .0823 49 GLN 49 -.1803 -1.3908 999.9900 1.3059 .5113 .0615 .6753 .5162 .5825 .2396 50 LEU 50 -.4786 -1.9980 999.9900 999.9900 .9565 -.5067 .6830 .1536 .3742 -.1367 51 PHE 51 .0900 -.6459 999.9900 999.9900 .7573 .0671 .6729 .1088 .3438 .1966 52 ASP 52 -3.3417 -1.7105 999.9900 999.9900 .8104 -1.4139 .6805 .3907 .5114 -.6341 53 GLY 53 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .5779 .4717 .5189 .0486 54 ASP 54 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6767 .3816 .5045 -.9315 55 ASP 55 -3.3417 .1210 999.9900 999.9900 .8104 -.8034 .6714 .3703 .4958 -.2737 56 GLN 56 -2.0516 -.6214 999.9900 1.3059 .5113 -.2140 .6789 .5235 .5882 .0578 57 LEU 57 -.2181 .1432 999.9900 999.9900 .9565 .2939 .6742 .1744 .3826 .3460 58 LYS 58 -.6960 -1.9682 999.9900 -.4035 .7460 -.5450 .6814 .1654 .3804 -.2683 59 GLY 59 -.5849 999.9900 999.9900 999.9900 .7883 .1017 .5872 .4685 .5212 .3147 60 GLU 60 -.5239 -.2810 999.9900 -1.0323 .6899 -.2868 .6794 .5226 .5879 .0091 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6828 .1502 .3721 -1.0713 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6616 -.2467 .1318 -.8450 63 ASP 63 -2.8635 -1.8420 999.9900 999.9900 .8104 -1.2984 .6775 .3911 .5104 -.5653 64 GLY 64 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5692 .4718 .5151 .7152 65 ALA 65 -.1097 999.9900 999.9900 999.9900 .7458 .3180 .6704 .3235 .4681 .4075 66 LYS 66 -3.0472 -1.9682 999.9900 -.4035 .7460 -1.0153 .6711 .1455 .3645 -.6086 67 SER 67 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6835 .5375 .5984 .1575 68 LEU 68 -.1625 -.6965 999.9900 999.9900 .9565 .0325 .6746 .1549 .3715 .1854 69 LYS 69 .6751 -1.6955 999.9900 -.0770 .7460 -.0857 .6765 .1521 .3706 .0572 70 ASP 70 .6201 -1.5978 999.9900 999.9900 .8104 -.0558 .6803 .3868 .5090 .1799 71 LEU 71 -.2213 -1.3818 999.9900 999.9900 .9565 -.2156 .6786 .1551 .3732 .0374 72 GLY 72 .4052 999.9900 999.9900 999.9900 .7883 .5967 .5895 .4763 .5266 .5648 73 VAL 73 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6554 .1179 .3419 -.7731 74 ARG 74 -2.9267 -.9796 999.9900 .1593 .8581 -.5459 .6818 .5282 .5922 -.2171 75 ASP 75 -.3275 -2.0928 999.9900 999.9900 .8104 -.5366 .6732 .3814 .5030 -.1111 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5739 .4645 .5131 .7145 77 TYR 77 -.5773 -1.6488 999.9900 999.9900 .5630 -.5544 .6752 -.1743 .1796 -.2325 78 ARG 78 -.1685 -1.2607 999.9900 .1593 .8581 -.0505 .6801 .5219 .5878 .1357 79 ILE 79 .3408 -.0177 999.9900 999.9900 .6034 .3088 .6561 .0402 .2968 .3245 80 HIS 80 -.3517 -.1773 999.9900 999.9900 .6686 .0465 .6791 .3277 .4741 .2293 81 ALA 81 -.8003 999.9900 999.9900 999.9900 .7458 -.0272 .6742 .3089 .4611 .2322 82 VAL 82 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6590 .1216 .3455 -.1203 83 ASP 83 -.6028 .2313 999.9900 999.9900 .8104 .1463 .6755 .3699 .4972 .2969 84 VAL 84 -1.6424 999.9900 .8662 999.9900 .7810 .0016 .6559 .1163 .3411 .1554 85 THR 85 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6591 -.2549 .1260 .0902 86 GLY 86 -.8495 999.9900 999.9900 999.9900 .7883 -.0306 .5726 .4603 .5102 .2429 87 GLY 87 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5738 .4632 .5123 -.4153 88 ASN 88 .0096 -1.1653 999.9900 999.9900 .7518 -.1346 .6768 .3800 .5037 .1306 89 GLU 89 -3.2255 -1.3804 999.9900 -1.0323 .6899 -1.2371 .6820 .5237 .5897 -.6238 90 ASP 90 999.9900 -2.8653 999.9900 999.9900 999.9900 -2.8653 .6763 .3682 .5003 -.6069 Means: -.7501 -1.5557 -.5876 .0824 .7218 -.3434 .6574 .2330 .4109 -.0376 2.00 analyzed_12