1 GLU 1 999.9900 -1.6501 999.9900 -1.0323 .6899 -.6642 .6707 .5003 .5778 -.1643 2 ALA 2 -.7438 999.9900 999.9900 999.9900 .7458 .0010 .6629 .3105 .4573 .2438 3 GLU 3 -3.2255 -1.5476 999.9900 -1.0323 .6899 -1.2789 .6764 .5302 .5911 -.6515 4 VAL 4 -2.9581 999.9900 .8055 999.9900 .7810 -.4572 .6623 .1385 .3568 -.1142 5 HIS 5 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .6777 .3209 .4695 -.6872 6 ASN 6 -.1896 .2845 999.9900 999.9900 .7518 .2822 .6703 .3755 .4984 .3785 7 GLN 7 -2.2003 -2.2325 999.9900 1.3059 .5113 -.6539 .6727 .5196 .5834 -.2372 8 LEU 8 -.0411 -2.9612 999.9900 999.9900 .9565 -.6819 .6766 .1703 .3812 -.2398 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6753 .5167 .5828 -.3302 10 ILE 10 -.1366 .4983 999.9900 999.9900 .6034 .3217 .6521 .0419 .2962 .3318 11 LYS 11 -.2345 -1.9682 999.9900 -.4035 .7460 -.4527 .6753 .1498 .3688 -.2055 12 PHE 12 .1161 -1.2526 999.9900 999.9900 .7573 -.1264 .6836 .1075 .3475 .0824 13 ARG 13 -.4439 -2.8571 999.9900 .1593 .8581 -.4249 .6787 .5168 .5843 -.1327 14 LEU 14 -2.5767 -2.9612 999.9900 999.9900 .9565 -1.5271 .6740 .1478 .3671 -.7519 15 THR 15 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6636 -.2568 .1267 .1490 16 ASP 16 .0771 -3.7306 999.9900 999.9900 .8104 -.9477 .6775 .3790 .5033 -.3573 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5814 .4744 .5220 .6176 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6774 .5318 .5925 .2828 19 ASP 19 -.9509 -2.3194 999.9900 999.9900 .8104 -.8200 .6816 .3824 .5070 -.2792 20 ILE 20 -.4035 .9074 999.9900 999.9900 .6034 .3691 .6583 .0532 .3053 .3638 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3515 .4710 .4179 .0204 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5454 -.3789 .0062 .2476 23 LYS 23 -.2799 -1.3520 999.9900 -.4035 .7460 -.3386 .6791 .1542 .3729 -.1228 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6651 .3284 .4687 .2279 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4947 .1033 .2664 .1869 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5557 -.3551 .0244 .2675 27 ASP 27 .2994 -.9304 999.9900 999.9900 .8104 .0598 .6813 .3826 .5070 .2486 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6605 .3193 .4615 .2893 29 THR 29 -.3748 999.9900 -.8810 999.9900 .4476 -.2694 .6603 -.2563 .1256 -.0809 30 THR 30 -.6474 999.9900 -.8810 999.9900 .4476 -.3603 .6586 -.2550 .1256 -.1355 31 VAL 31 .1911 999.9900 .8055 999.9900 .7810 .5925 .6564 .1259 .3469 .5120 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6783 .5431 .5995 .4254 33 ALA 33 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6696 .3311 .4721 .6275 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6795 .1564 .3744 -.1410 35 LYS 35 .6751 -1.5918 999.9900 -.4035 .7460 -.1956 .6807 .1500 .3711 -.0210 36 GLU 36 .8604 -1.0407 999.9900 -1.0323 .6899 -.1307 .6844 .5223 .5899 .1140 37 THR 37 .2928 999.9900 -.8810 999.9900 .4476 -.0469 .6552 -.2636 .1193 .0502 38 VAL 38 .3707 999.9900 .4980 999.9900 .7810 .5499 .6549 .1229 .3446 .4855 39 ILE 39 .7958 -.2165 999.9900 999.9900 .6034 .3942 .6553 .0569 .3062 .3790 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6777 .5283 .5905 .4074 41 GLU 41 .8733 -1.7714 999.9900 -1.0323 .6899 -.3101 .6804 .5335 .5947 -.0044 42 TRP 42 .0851 -1.3095 999.9900 999.9900 .9378 -.0955 .4826 .1757 .3036 .0743 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5482 -.3526 .0227 -.4178 44 ARG 44 .3315 -.5720 999.9900 .6901 .8581 .3995 .6727 .5192 .5831 .4556 45 GLU 45 .3258 -1.9198 999.9900 -1.0323 .6899 -.4841 .6720 .5247 .5861 -.1233 46 LYS 46 -3.5196 -1.5918 999.9900 .2495 .7460 -.7733 .6739 .1615 .3750 -.4330 47 GLU 47 -1.2516 -1.6501 999.9900 -1.0323 .6899 -.8110 .6774 .5218 .5866 -.3408 48 ASN 48 -3.4329 -1.4522 999.9900 999.9900 .7518 -1.3777 .6797 .3900 .5107 -.6127 49 GLY 49 .1407 999.9900 999.9900 999.9900 .7883 .4645 .3530 .4730 .4197 .4387 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5379 -.3833 .0005 .1980 51 LYS 51 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6781 .1529 .3717 -.6350 52 THR 52 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6530 -.2558 .1228 .0331 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6595 .1218 .3458 .1349 54 LYS 54 -.4018 -1.3520 999.9900 -.4035 .7460 -.3630 .6725 .1422 .3632 -.1429 55 GLU 55 -1.4945 -1.1891 999.9900 1.7325 .6899 -.0653 .6748 .5160 .5822 .1550 56 VAL 56 .2313 999.9900 .6672 999.9900 .7810 .5599 .6580 .1252 .3472 .4926 57 LYS 57 -.2512 -1.3520 999.9900 .1140 .7460 -.1258 .6805 .1459 .3686 .0282 58 LEU 58 -.0792 -2.9612 999.9900 999.9900 .9565 -.6946 .6729 .1472 .3663 -.2527 59 ILE 59 -.6113 .8237 999.9900 999.9900 .6034 .2719 .6560 .0371 .2950 .3018 60 SER 60 -1.1635 999.9900 -.0289 999.9900 .6705 -.1740 .6779 .5322 .5929 .1376 61 ALA 61 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6654 .3153 .4612 -.1566 62 GLY 62 -.0001 999.9900 999.9900 999.9900 .7883 .3941 .5738 .4653 .5135 .4568 63 LYS 63 -.2455 -1.2293 999.9900 -.0397 .7460 -.1617 .6775 .1539 .3720 .0033 64 VAL 64 -.5725 999.9900 -1.0788 999.9900 .7810 -.2901 .6510 .1272 .3455 -.0184 65 LEU 65 -.2443 -2.4128 999.9900 999.9900 .9565 -.5669 .6731 .1589 .3732 -.1737 66 GLU 66 -.4269 -.4584 999.9900 .3501 .6899 .0387 .6688 .5234 .5840 .2245 67 ASN 67 .6639 -1.5725 999.9900 999.9900 .7518 -.0522 .6752 .3859 .5064 .1809 68 SER 68 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6723 .5248 .5863 .3233 69 LYS 69 -.7069 .7299 999.9900 -.4035 .7460 -.0076 .6831 .1445 .3689 .1128 70 THR 70 -.7465 999.9900 -.8810 999.9900 .4476 -.3933 .6616 -.2630 .1223 -.1563 71 VAL 71 .7260 999.9900 .5873 999.9900 .7810 .6981 .6560 .1258 .3467 .5752 72 LYS 72 .8536 -1.6955 999.9900 -.4035 .7460 -.1806 .6700 .1568 .3707 -.0109 73 ASP 73 1.1359 -2.6388 999.9900 999.9900 .8104 -.2308 .6716 .3804 .5017 .0719 74 TYR 74 -.0930 -2.7782 999.9900 999.9900 .5630 -.7694 .6760 -.1695 .1828 -.3603 75 ARG 75 -2.5097 -1.8960 999.9900 .5548 .8581 -.4876 .6765 .5148 .5822 -.1781 76 SER 76 -.2118 999.9900 -.7153 999.9900 .6705 -.0855 .4744 .5257 .5043 .1487 77 PRO 77 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5435 -.3534 .0203 .0858 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6634 .1204 .3467 -.7710 79 SER 79 -1.2373 999.9900 -.7153 999.9900 .6705 -.4274 .6729 .5350 .5925 -.0148 80 ASN 80 -2.5793 -2.7010 999.9900 999.9900 .7518 -1.5095 .6722 .3841 .5041 -.6944 81 LEU 81 -3.7702 -2.4128 999.9900 999.9900 .9565 -1.7422 .6834 .1561 .3758 -.8774 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6707 .3251 .4691 -.4308 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5757 .4719 .5180 -.4126 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6668 .3250 .4674 .3791 85 VAL 85 -.7345 999.9900 .8055 999.9900 .7810 .2840 .6604 .1175 .3437 .3260 86 THR 86 .4548 999.9900 -.8810 999.9900 .4476 .0071 .6606 -.2655 .1204 .0833 87 THR 87 .0164 999.9900 -.8810 999.9900 .4476 -.1390 .6572 -.2588 .1229 -.0037 88 MET 88 -.3657 -.6706 999.9900 .9587 .5203 .1107 .6754 .5147 .5816 .2721 89 HIS 89 -.4783 -1.0384 999.9900 999.9900 .6686 -.2827 .6799 .3286 .4750 .0321 90 VAL 90 .0764 999.9900 .9747 999.9900 .7810 .6107 .6552 .1169 .3412 .5209 91 ILE 91 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6546 .0492 .3014 -.2444 92 ILE 92 -.2299 -3.0500 999.9900 999.9900 .6034 -.8922 .6568 .0526 .3043 -.3934 93 GLN 93 -.7947 -.8354 999.9900 2.7911 .5113 .4181 .6805 .5254 .5901 .4797 94 ALA 94 -.6837 999.9900 999.9900 999.9900 .7458 .0311 .4812 .3084 .3804 .2129 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5518 -.3689 .0147 .0840 96 VAL 96 -3.4930 999.9900 -1.0788 999.9900 .7810 -1.2636 .6569 .1376 .3540 -.5992 97 THR 97 -2.3261 999.9900 -.8810 999.9900 .4476 -.9199 .6605 -.2628 .1219 -.4724 98 GLU 98 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6795 .5174 .5849 -.7151 99 LYS 99 -3.0472 .5334 999.9900 -.4035 .7460 -.5150 .6696 .1521 .3677 -.2505 100 GLU 100 -1.9801 -1.9198 999.9900 -1.0323 .6899 -1.0606 .6782 .5303 .5920 -.5056 101 LYS 101 999.9900 -2.9005 999.9900 .2868 999.9900 -.7757 .6753 -.0175 .2794 -.3338 Means: -.6979 -1.5732 -.4013 -.1041 .6979 -.3115 .6476 .2061 .3907 -.0282 2.00 analyzed_3