1 MET 1 999.9900 -1.4323 999.9900 .9587 .5203 .0156 .6754 .5068 .5834 .2458 2 THR 2 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .6566 -.2623 .1206 .0406 3 GLU 3 -1.7894 -1.6501 999.9900 -1.0323 .6899 -.9455 .6772 .5182 .5845 -.4311 4 VAL 4 -1.2342 999.9900 .1416 999.9900 .7810 -.1039 .6579 .1111 .3389 .0915 5 TYR 5 .5758 -1.5559 999.9900 999.9900 .5630 -.1391 .6762 -.1797 .1769 .0159 6 ASP 6 .1056 -3.7306 999.9900 999.9900 .8104 -.9382 .6787 .3752 .5017 -.3521 7 LEU 7 -.8682 -3.3760 999.9900 999.9900 .9565 -1.0959 .6781 .1584 .3749 -.4902 8 GLU 8 -.4615 -1.6501 999.9900 -1.0323 .6899 -.6135 .6792 .5236 .5885 -.2085 9 ILE 9 .2768 -2.6526 999.9900 999.9900 .6034 -.5908 .6568 .0450 .2999 -.2141 10 THR 10 -1.0285 999.9900 -.8810 999.9900 .4476 -.4873 .6526 -.2470 .1278 -.2113 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6624 -.2682 .1196 -.1696 12 ASN 12 -.6931 -2.0766 999.9900 999.9900 .7518 -.6726 .6777 .3834 .5060 -.1914 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6637 .3250 .4661 .3940 14 THR 14 .3531 999.9900 .6346 999.9900 .4476 .4784 .6599 -.2666 .1195 .3657 15 ASP 15 -1.5723 -1.2611 999.9900 999.9900 .8104 -.6743 .6806 .3942 .5135 -.1896 16 PHE 16 -.9952 -2.6964 999.9900 999.9900 .7573 -.9781 .4940 .1007 .2646 -.4679 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5528 -.3706 .0141 .2629 18 MET 18 -.6343 .0433 999.9900 .9587 .5203 .2220 .6794 .5206 .5868 .3480 19 GLU 19 -.4269 -.6022 999.9900 -1.0323 .6899 -.3429 .6696 .5158 .5799 -.0310 20 LYS 20 -.5771 -.6595 999.9900 -.4035 .7460 -.2595 .6831 .1705 .3841 -.0634 21 LYS 21 -.3286 -1.9682 999.9900 -.4035 .7460 -.4716 .6730 .1547 .3707 -.2186 22 TYR 22 .0777 -2.1671 999.9900 999.9900 .5630 -.5088 .4763 -.1880 .0888 -.2476 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5439 -.3780 .0061 .1569 24 ALA 24 -.6970 999.9900 999.9900 999.9900 .7458 .0244 .6686 .3250 .4681 .2606 25 GLY 25 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5837 .4698 .5204 -.0037 26 MET 26 -2.2339 -2.0676 999.9900 .9587 .5203 -.7056 .6732 .5281 .5886 -.2702 27 SER 27 .0184 999.9900 -.7153 999.9900 .6705 -.0088 .6723 .5200 .5835 .2332 28 LEU 28 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6845 .1534 .3747 -.1334 29 ASN 29 .9642 -.7217 999.9900 999.9900 .7518 .3314 .6775 .3747 .5009 .4093 30 ASP 30 .3915 -1.1348 999.9900 999.9900 .8104 .0224 .6720 .3752 .4989 .2229 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .9565 -.3378 .6773 .1684 .3805 -.0335 32 LYS 32 .9480 -1.2879 999.9900 -.4035 .7460 -.0802 .6728 .1431 .3638 .0593 33 LYS 33 1.0838 -2.4344 999.9900 .5368 .7460 .0938 .6728 .1480 .3667 .1843 34 LYS 34 1.2214 -1.8181 999.9900 -.4035 .7460 -.1315 .6838 .1511 .3730 .0253 35 LEU 35 .6509 -1.2483 999.9900 999.9900 .9565 .1197 .6849 .1651 .3817 .2418 36 GLU 36 .6833 -1.6501 999.9900 -1.0323 .6899 -.3273 .6788 .5260 .5897 -.0174 37 LEU 37 .6509 -1.0230 999.9900 999.9900 .9565 .1948 .6718 .1511 .3680 .2814 38 VAL 38 -.2954 999.9900 .3968 999.9900 .7810 .2941 .6568 .1171 .3420 .3313 39 VAL 39 -.6856 999.9900 .6672 999.9900 .7810 .2542 .6569 .1074 .3364 .3054 40 GLY 40 .3568 999.9900 999.9900 999.9900 .7883 .5725 .5769 .4661 .5154 .5470 41 THR 41 -.7465 999.9900 .2916 999.9900 .4476 -.0024 .6530 -.2471 .1279 .0797 42 THR 42 -1.3548 999.9900 .4804 999.9900 .4476 -.1423 .6527 -.2541 .1237 -.0057 43 VAL 43 -1.2342 999.9900 .7395 999.9900 .7810 .0954 .6595 .1181 .3437 .2128 44 ASP 44 .2633 -3.7306 999.9900 999.9900 .8104 -.8856 .6772 .3824 .5052 -.3195 45 SER 45 -.7578 999.9900 -.7153 999.9900 .6705 -.2675 .6806 .5286 .5920 .0813 46 MET 46 -.7108 -1.3058 999.9900 .9587 .5203 -.1344 .6791 .5161 .5840 .1096 47 ARG 47 -.6502 -2.3766 999.9900 .1593 .8581 -.3700 .6763 .5193 .5847 -.0935 48 ILE 48 -.4035 -.6139 999.9900 999.9900 .6034 -.1380 .6515 .0385 .2939 .0552 49 GLN 49 -.1803 -1.7668 999.9900 1.3059 .5113 -.0325 .6770 .5226 .5869 .1783 50 LEU 50 -.6702 -1.9980 999.9900 999.9900 .9565 -.5706 .6796 .1538 .3729 -.1757 51 PHE 51 .0766 -.6014 999.9900 999.9900 .7573 .0775 .6717 .1043 .3407 .2017 52 ASP 52 -1.0188 -1.3328 999.9900 999.9900 .8104 -.5137 .6750 .3802 .5030 -.0972 53 GLY 53 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5884 .4778 .5269 -.0758 54 ASP 54 -2.8635 -.8452 999.9900 999.9900 .8104 -.9661 .6752 .3788 .5023 -.3689 55 ASP 55 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6776 .3781 .5029 -.8682 56 GLN 56 -1.9302 -1.9601 999.9900 1.3059 .5113 -.5183 .6742 .5255 .5875 -.1456 57 LEU 57 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6703 .1482 .3657 -.3916 58 LYS 58 -.6960 -1.2879 999.9900 -.0397 .7460 -.2635 .6810 .1563 .3749 -.0686 59 GLY 59 -.0934 999.9900 999.9900 999.9900 .7883 .3474 .5903 .4742 .5258 .4399 60 GLU 60 -.4615 .3534 999.9900 -1.0323 .6899 -.1126 .6749 .5302 .5905 .1258 61 LEU 61 -3.7702 -2.7185 999.9900 999.9900 .9565 -1.8441 .6714 .1562 .3709 -.9409 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6586 -.2542 .1261 -.8471 63 ASP 63 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6787 .3863 .5081 -.9302 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5647 .4631 .5082 -.4176 65 ALA 65 -.5171 999.9900 999.9900 999.9900 .7458 .1144 .6650 .3209 .4643 .3037 66 LYS 66 -3.0472 -1.6955 999.9900 .6506 .7460 -.5391 .6802 .1551 .3739 -.2657 67 SER 67 -.6802 999.9900 -.7153 999.9900 .6705 -.2417 .6780 .5291 .5911 .0964 68 LEU 68 -.5228 -2.7185 999.9900 999.9900 .9565 -.7616 .6768 .1620 .3765 -.2892 69 LYS 69 .8536 -1.3520 999.9900 .1140 .7460 .0951 .6827 .1622 .3791 .1887 70 ASP 70 .6201 -1.1646 999.9900 999.9900 .8104 .0886 .6822 .3898 .5117 .2676 71 LEU 71 -.5757 -.6635 999.9900 999.9900 .9565 -.0942 .6751 .1579 .3734 .1101 72 GLY 72 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5854 .4853 .5298 .6249 73 VAL 73 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6620 .1243 .3484 -.7705 74 ARG 74 -2.9267 -1.6149 999.9900 .1593 .8581 -.6730 .6775 .5222 .5869 -.3093 75 ASP 75 -.2689 -2.8653 999.9900 999.9900 .8104 -.7746 .6712 .3823 .5027 -.2541 76 GLY 76 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5833 .4634 .5167 .6279 77 TYR 77 -.8045 -3.2286 999.9900 999.9900 .5630 -1.1567 .6792 -.1696 .1841 -.5921 78 ARG 78 -.3884 -1.8960 999.9900 .1593 .8581 -.2215 .6769 .5174 .5839 .0124 79 ILE 79 .0187 -.6139 999.9900 999.9900 .6034 .0027 .6578 .0329 .2933 .1398 80 HIS 80 -.4447 .6357 999.9900 999.9900 .6686 .2865 .6752 .3272 .4722 .3724 81 ALA 81 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6660 .3193 .4638 .1538 82 VAL 82 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6582 .1311 .3507 -.1186 83 ASP 83 -.0565 -3.7306 999.9900 999.9900 .8104 -.9922 .6766 .3848 .5064 -.3831 84 VAL 84 -1.3694 999.9900 -1.0788 999.9900 .7810 -.5557 .6626 .1204 .3463 -.1768 85 THR 85 .1579 999.9900 -.8810 999.9900 .4476 -.0918 .6559 -.2508 .1270 .0259 86 GLY 86 -.6968 999.9900 999.9900 999.9900 .7883 .0457 .5678 .4622 .5092 .2804 87 GLY 87 -1.7079 999.9900 999.9900 999.9900 .7883 -.4598 .5810 .4682 .5183 .0324 88 ASN 88 -.4415 -3.3254 999.9900 999.9900 .7518 -1.0050 .6775 .3803 .5041 -.3915 89 GLU 89 -3.2255 -.8169 999.9900 -1.0323 .6899 -1.0962 .6789 .5234 .5882 -.5304 90 ASP 90 999.9900 -2.6388 999.9900 999.9900 999.9900 -2.6388 .6783 .3627 .4979 -.5326 Means: -.7064 -1.8253 -.3575 .0148 .7218 -.3773 .6572 .2319 .4102 -.0586 2.00 analyzed_20