1 GLU 1 999.9900 -1.9198 999.9900 1.1588 .6899 -.0237 .6724 .5113 .5845 .2225 2 ALA 2 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6675 .3214 .4656 .2985 3 GLU 3 -3.2255 -.2810 999.9900 -1.0323 .6899 -.9622 .6753 .5231 .5865 -.4418 4 VAL 4 -.0582 999.9900 .9224 999.9900 .7810 .5484 .6526 .1277 .3464 .4851 5 HIS 5 -1.4902 -.1263 999.9900 999.9900 .6686 -.3160 .6726 .3187 .4662 .0087 6 ASN 6 -2.8943 .0628 999.9900 999.9900 .7518 -.6932 .6754 .3801 .5031 -.2049 7 GLN 7 -1.6601 -.7946 999.9900 1.3059 .5113 -.1594 .6817 .5224 .5888 .0944 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6759 .1688 .3801 -.2997 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6719 .5246 .5860 -.3294 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6583 .0430 .2994 .3285 11 LYS 11 -.2799 -1.5020 999.9900 -.4035 .7460 -.3686 .6800 .1675 .3811 -.1422 12 PHE 12 .0900 .4802 999.9900 999.9900 .7573 .4425 .6785 .1090 .3463 .4230 13 ARG 13 -.4439 -1.5080 999.9900 .1593 .8581 -.1550 .6799 .5199 .5865 .0607 14 LEU 14 -1.2495 -.6635 999.9900 999.9900 .9565 -.3188 .6753 .1693 .3801 -.0224 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6542 -.2536 .1246 .0895 16 ASP 16 .0771 -2.0928 999.9900 999.9900 .8104 -.4018 .6762 .3765 .5014 -.0305 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5776 .4603 .5124 .6743 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6754 .5242 .5872 .2808 19 ASP 19 -1.2415 -1.7105 999.9900 999.9900 .8104 -.7138 .6813 .3846 .5082 -.2151 20 ILE 20 -.4035 -2.6526 999.9900 999.9900 .6034 -.8176 .6520 .0485 .3000 -.3504 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3585 .4737 .4225 .0229 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5575 -.3763 .0128 .2513 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6745 .1514 .3693 -.3539 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6668 .3072 .4570 .2352 25 PHE 25 -.1586 .0765 999.9900 999.9900 .7573 .2251 .4762 .0955 .2541 .2494 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5414 -.3560 .0179 .2637 27 ASP 27 .2994 -2.4630 999.9900 999.9900 .8104 -.4511 .6752 .3900 .5088 -.0576 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6645 .3104 .4580 .2114 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6567 -.2695 .1164 -.0540 30 THR 30 -.7928 999.9900 -.8810 999.9900 .4476 -.4087 .6543 -.2671 .1168 -.1678 31 VAL 31 -1.6906 999.9900 -.5532 999.9900 .7810 -.4876 .6519 .1186 .3408 -.1385 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6758 .5291 .5902 .4221 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6662 .3178 .4630 .5234 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6787 .1496 .3701 -.1546 35 LYS 35 .9480 -1.5020 999.9900 -.4035 .7460 -.1230 .6736 .1505 .3685 .0299 36 GLU 36 .8171 -.0757 999.9900 -1.0323 .6899 .0997 .6799 .5231 .5884 .2670 37 THR 37 .2928 999.9900 -.8810 999.9900 .4476 -.0469 .6534 -.2604 .1203 .0505 38 VAL 38 .9834 999.9900 -.5532 999.9900 .7810 .4038 .6619 .1226 .3473 .3991 39 ILE 39 1.0115 -1.0114 999.9900 999.9900 .6034 .2012 .6596 .0478 .3027 .2622 40 SER 40 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6789 .5291 .5915 .3458 41 GLU 41 -.6559 -.7859 999.9900 -1.0323 .6899 -.4461 .6804 .5214 .5876 -.0971 42 TRP 42 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .4817 .1934 .3135 -.4754 43 PRO 43 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5408 -.3663 .0116 .1590 44 ARG 44 -.1156 -1.4154 999.9900 .1593 .8581 -.0709 .6723 .5231 .5853 .1202 45 GLU 45 -.6897 -1.6501 999.9900 -1.0323 .6899 -.6706 .6769 .5215 .5863 -.2473 46 LYS 46 -3.5196 -2.9005 999.9900 -.0397 .7460 -1.1507 .6797 .1475 .3692 -.7038 47 GLU 47 -1.3743 -1.3804 999.9900 -1.0323 .6899 -.7743 .6795 .5203 .5867 -.3162 48 ASN 48 -.6067 -2.7010 999.9900 999.9900 .7518 -.8519 .6799 .3806 .5053 -.2991 49 GLY 49 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .3641 .4788 .4278 .1668 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5390 -.3948 -.0057 -.4120 51 LYS 51 -3.5196 .1332 999.9900 -.4035 .7460 -.6895 .6703 .1643 .3752 -.3733 52 THR 52 .4132 999.9900 -.8810 999.9900 .4476 -.0067 .6545 -.2586 .1218 .0751 53 VAL 53 .1911 999.9900 .3968 999.9900 .7810 .4563 .6628 .1195 .3458 .4302 54 LYS 54 .1686 -.3868 999.9900 -.4035 .7460 -.0559 .6700 .1508 .3671 .0774 55 GLU 55 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6816 .5224 .5887 -.6690 56 VAL 56 -.4002 999.9900 -1.0788 999.9900 .7810 -.2326 .6520 .1354 .3507 .0179 57 LYS 57 -.2512 -1.5020 999.9900 -.4035 .7460 -.3628 .6730 .1612 .3744 -.1400 58 LEU 58 -.2443 -2.5464 999.9900 999.9900 .9565 -.6114 .6796 .1573 .3749 -.1995 59 ILE 59 -.6113 .8809 999.9900 999.9900 .6034 .2910 .6545 .0355 .2934 .3126 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6767 .5267 .5892 -.0107 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6675 .3210 .4654 -.1187 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5922 .4804 .5301 .4217 63 LYS 63 -.2023 -1.9682 999.9900 -.4035 .7460 -.4463 .6716 .1491 .3668 -.2015 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6583 .1364 .3539 .0097 65 LEU 65 -.4282 -2.7185 999.9900 999.9900 .9565 -.7301 .6794 .1573 .3748 -.2707 66 GLU 66 -1.0962 -1.3104 999.9900 .3501 .6899 -.3416 .6725 .5156 .5809 -.0298 67 ASN 67 .6639 -1.3461 999.9900 999.9900 .7518 .0232 .6759 .3816 .5042 .2254 68 SER 68 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6829 .5360 .5972 .3622 69 LYS 69 -.4529 -.6840 999.9900 -.4035 .7460 -.2396 .6738 .1592 .3736 -.0521 70 THR 70 -.6884 999.9900 -.8810 999.9900 .4476 -.3740 .6531 -.2643 .1179 -.1466 71 VAL 71 -.2252 999.9900 .8662 999.9900 .7810 .4740 .6646 .1251 .3499 .4423 72 LYS 72 -.0565 .7114 999.9900 -.4035 .7460 .1188 .6748 .1603 .3747 .2041 73 ASP 73 .8349 -2.6388 999.9900 999.9900 .8104 -.3311 .6738 .3788 .5018 .0119 74 TYR 74 -.0930 -4.1972 999.9900 999.9900 .5630 -1.2424 .6798 -.1837 .1761 -.6462 75 ARG 75 -2.9267 -1.7413 999.9900 .1593 .8581 -.6982 .6784 .5206 .5863 -.3275 76 SER 76 .2494 999.9900 -.7153 999.9900 .6705 .0682 .4912 .5250 .5109 .2442 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5539 -.3602 .0207 -.8102 78 VAL 78 -3.4930 999.9900 .2799 999.9900 .7810 -.8107 .6581 .1365 .3538 -.3275 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6738 .5319 .5910 -.5198 80 ASN 80 -.8440 .1429 999.9900 999.9900 .7518 .0169 .6833 .3771 .5047 .2222 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6680 .1681 .3764 -1.0707 82 ALA 82 -1.9568 999.9900 999.9900 999.9900 .7458 -.6055 .6652 .3197 .4637 -.0565 83 GLY 83 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .5846 .4766 .5246 .2748 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6653 .3207 .4643 .1540 85 VAL 85 -.7345 999.9900 .9747 999.9900 .7810 .3404 .6540 .1150 .3396 .3580 86 THR 86 .0102 999.9900 -.8810 999.9900 .4476 -.1411 .6559 -.2596 .1219 -.0054 87 THR 87 .2184 999.9900 .4804 999.9900 .4476 .3821 .6597 -.2407 .1345 .3131 88 MET 88 -.1902 -.2135 999.9900 .9587 .5203 .2688 .6740 .5146 .5810 .3773 89 HIS 89 -.2420 -.7214 999.9900 999.9900 .6686 -.0983 .6736 .3302 .4733 .1418 90 VAL 90 .0815 999.9900 .7395 999.9900 .7810 .5340 .6548 .1173 .3413 .4748 91 ILE 91 .3059 -2.2551 999.9900 999.9900 .6034 -.4486 .6578 .0476 .3018 -.1281 92 ILE 92 .3543 -.5821 999.9900 999.9900 .6034 .1252 .6650 .0496 .3060 .2181 93 GLN 93 -1.0647 -2.6982 999.9900 1.3059 .5113 -.4864 .6748 .5160 .5822 -.1258 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4854 .3152 .3861 .1463 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5460 -.3690 .0122 .0825 96 VAL 96 -4.3409 999.9900 .4980 999.9900 .7810 -1.0206 .6594 .1131 .3407 -.4579 97 THR 97 -3.6133 999.9900 -.8810 999.9900 .4476 -1.3489 .6609 -.2641 .1213 -.7300 98 GLU 98 -.6811 -2.3808 999.9900 1.1588 .6899 -.3033 .6768 .5295 .5909 -.0011 99 LYS 99 -3.5196 -.4905 999.9900 .9771 .7460 -.2620 .6708 .1432 .3630 -.0708 100 GLU 100 -1.3476 -.7281 999.9900 .3501 .6899 -.2589 .6804 .5242 .5892 .0281 101 LYS 101 999.9900 .4083 999.9900 -.4035 999.9900 -.1329 .6701 -.0300 .2700 .0483 Means: -.7317 -1.4058 -.3764 -.1336 .6979 -.2954 .6477 .2056 .3905 -.0183 2.00 analyzed_6