1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6731 .4987 .5780 .1166 2 ALA 2 -2.5451 999.9900 999.9900 999.9900 .7458 -.8997 .6704 .3103 .4604 -.2046 3 ASP 3 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6785 .3903 .5104 -.8656 4 THR 4 -.3275 999.9900 -.8810 999.9900 .4476 -.2537 .6607 -.2660 .1201 -.0733 5 GLY 5 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .5856 .4848 .5296 .2298 6 GLU 6 -1.2516 -2.8418 999.9900 -1.0323 .6899 -1.1090 .6796 .5183 .5855 -.5397 7 VAL 7 -.0463 999.9900 -.5532 999.9900 .7810 .0605 .6513 .1179 .3401 .1901 8 GLN 8 -.3854 -1.3011 999.9900 1.3059 .5113 .0327 .6815 .5183 .5863 .2217 9 PHE 9 .1225 -.0090 999.9900 999.9900 .7573 .2903 .6730 .0878 .3316 .3263 10 MET 10 -.6588 -2.5481 999.9900 .9587 .5203 -.4320 .6738 .5099 .5782 -.0907 11 LYS 11 -.5771 -2.9005 999.9900 -.4035 .7460 -.7077 .4861 .1492 .2896 -.4148 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5315 -.3825 -.0017 .2433 13 PHE 13 .0900 -3.3183 999.9900 999.9900 .7573 -.8237 .6825 .1018 .3437 -.3373 14 ILE 14 -.5593 .8237 999.9900 999.9900 .6034 .2893 .6590 .0495 .3035 .3153 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6769 .5267 .5893 .2635 16 GLU 16 .5470 -1.6501 999.9900 -1.0323 .6899 -.3614 .6772 .5188 .5848 -.0416 17 LYS 17 -.3743 -1.3520 999.9900 -.0397 .7460 -.2119 .6755 .1489 .3683 -.0336 18 SER 18 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6763 .5296 .5907 .2558 19 SER 19 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6725 .5226 .5851 .4116 20 LYS 20 -3.5196 -2.1617 999.9900 -.4035 .7460 -1.1485 .6815 .1542 .3739 -.7009 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6805 .5272 .5910 .2382 22 LEU 22 -1.0889 -2.9612 999.9900 999.9900 .9565 -1.0312 .6776 .1624 .3771 -.4507 23 GLU 23 -.4497 -.7564 999.9900 -1.0323 .6899 -.3871 .6775 .5249 .5885 -.0577 24 ILE 24 .0813 -.1188 999.9900 999.9900 .6034 .1886 .4764 .0477 .2263 .2180 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5396 -.3741 .0066 .2474 26 LEU 26 .8442 -2.5464 999.9900 999.9900 .9565 -.2485 .6739 .1526 .3698 .0162 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5826 .4750 .5228 .5048 28 PHE 28 .0766 -3.6820 999.9900 999.9900 .7573 -.9494 .6821 .1070 .3466 -.4118 29 ASN 29 1.0488 1.1701 999.9900 999.9900 .7518 .9902 .6763 .3848 .5063 .8064 30 GLU 30 -.2127 -.8493 999.9900 -1.0323 .6899 -.3511 .6728 .5204 .5839 -.0352 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6831 -.1675 .1869 -.5570 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4904 .0920 .2580 -.5535 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5516 -.3843 .0056 .2478 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4743 .3159 .3819 .2732 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5377 -.3669 .0100 .2600 36 PHE 36 -1.5081 .0697 999.9900 999.9900 .7573 -.2270 .5006 .0951 .2640 -.0171 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5466 -.3768 .0079 .2018 38 ILE 38 -.2490 -.7120 999.9900 999.9900 .6034 -.1192 .6583 .0570 .3075 .0715 39 THR 39 -.8088 999.9900 .2916 999.9900 .4476 -.0232 .6555 -.2564 .1235 .0659 40 VAL 40 -.0582 999.9900 .1416 999.9900 .7810 .2881 .6528 .1159 .3396 .3266 41 ASP 41 -.5526 -2.0001 999.9900 999.9900 .8104 -.5808 .6760 .3801 .5034 -.1372 42 LEU 42 .1006 .6236 999.9900 999.9900 .9565 .5602 .6700 .1473 .3651 .4996 43 LEU 43 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6785 .1599 .3760 -.3010 44 ASP 44 -1.5212 -.2794 999.9900 999.9900 .8104 -.3300 .6733 .3833 .5041 .0133 45 TYR 45 -3.6999 -2.0063 999.9900 999.9900 .5630 -1.7144 .6757 -.1734 .1804 -.9282 46 SER 46 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .6779 .5312 .5923 -.1741 47 GLY 47 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5838 .4740 .5228 -.2816 48 ARG 48 -.3796 -.8157 999.9900 .1593 .8581 -.0037 .6774 .5140 .5821 .1676 49 SER 49 -.0526 999.9900 .8786 999.9900 .6705 .4989 .6763 .5279 .5898 .5402 50 TRP 50 -.2197 .0906 999.9900 999.9900 .9378 .2695 .6812 .1784 .3879 .3336 51 THR 51 .4171 999.9900 .6346 999.9900 .4476 .4997 .6604 -.2623 .1221 .3795 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6610 .1019 .3348 .0901 53 ARG 53 -.5160 -2.8571 999.9900 .6901 .8581 -.2270 .6782 .5189 .5852 .0089 54 MET 54 -.3206 -.4711 999.9900 .9587 .5203 .1718 .6820 .5225 .5889 .3153 55 LYS 55 -.3038 -2.9005 999.9900 -.4035 .7460 -.6531 .6770 .1716 .3822 -.3453 56 LYS 56 -.1765 -2.4344 999.9900 -.0770 .7460 -.4038 .6737 .1590 .3735 -.1695 57 ARG 57 -1.7561 -1.1946 999.9900 .1593 .8581 -.3548 .6806 .5264 .5907 -.0810 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5773 .4632 .5139 .3509 59 GLU 59 -.7734 .8693 999.9900 .3501 .6899 .2840 .6761 .5218 .5861 .3890 60 LYS 60 -.1867 -.7632 999.9900 -.4035 .7460 -.2022 .6832 .1559 .3756 -.0245 61 VAL 61 .0429 999.9900 .5873 999.9900 .7810 .4704 .6582 .1072 .3368 .4353 62 PHE 62 -.3916 -1.3145 999.9900 999.9900 .7573 -.3163 .6779 .0994 .3405 -.0343 63 LEU 63 -.1596 -2.9612 999.9900 999.9900 .9565 -.7214 .6827 .1545 .3746 -.2654 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6563 -.2356 .1360 -.8439 65 VAL 65 -1.2071 999.9900 .9224 999.9900 .7810 .1654 .6523 .1205 .3421 .2538 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5829 .4682 .5191 -.1547 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6769 .1905 .3932 -.4546 68 GLU 68 .6116 -2.1111 999.9900 -1.0323 .6899 -.4605 .6781 .5243 .5884 -.1066 69 ASN 69 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6784 .3799 .5043 .0316 70 PHE 70 .8041 -.4798 999.9900 999.9900 .7573 .3606 .6761 .1003 .3402 .3716 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6589 .1245 .3472 .2938 72 LYS 72 .6780 -.1697 999.9900 .2868 .7460 .3656 .6713 .1611 .3737 .3800 73 ASP 73 1.3227 -3.1847 999.9900 999.9900 .8104 -.3505 .6838 .3884 .5115 .0041 74 ASN 74 .0718 -2.0766 999.9900 999.9900 .7518 -.4177 .6793 .3952 .5136 -.0357 75 ASN 75 -3.4329 -1.0869 999.9900 999.9900 .7518 -1.2560 .6762 .3744 .5002 -.5435 76 LEU 76 -1.3650 -1.9410 999.9900 999.9900 .9565 -.7831 .6747 .1693 .3799 -.3011 77 GLU 77 -.9070 -1.3804 999.9900 -1.0323 .6899 -.6575 .6812 .5266 .5910 -.2370 78 ASP 78 -.7312 -3.7306 999.9900 999.9900 .8104 -1.2171 .6792 .3771 .5030 -.5190 79 GLY 79 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5802 .4656 .5166 .0891 80 LYS 80 -.4529 -.2831 999.9900 -.4035 .7460 -.1594 .6782 .1501 .3701 .0045 81 TYR 81 .6244 -.5167 999.9900 999.9900 .5630 .2235 .6733 -.1840 .1732 .2320 82 LEU 82 -.5127 -1.4996 999.9900 999.9900 .9565 -.3519 .6797 .1535 .3727 -.0445 83 GLN 83 -.4544 -.8354 999.9900 1.3059 .5113 .1318 .6790 .5247 .5890 .2885 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6737 .1155 .3481 -.6006 85 ILE 85 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6563 .0453 .2999 -.2781 86 TYR 86 .4043 -4.1972 999.9900 999.9900 .5630 -1.0767 .6764 -.1727 .1811 -.5452 87 ASP 87 -2.2314 -1.4992 999.9900 999.9900 .8104 -.9734 .6736 .3835 .5043 -.3726 88 ARG 88 -2.5097 -1.8960 999.9900 .1593 .8581 -.6458 .6800 .5214 .5875 -.2896 89 ASP 89 -2.5838 -.0727 999.9900 999.9900 .8104 -.6154 .6797 .3823 .5062 -.1568 90 ARG 90 -1.5415 -1.5080 999.9900 .1593 .8581 -.3746 .6768 .5213 .5861 -.0964 91 THR 91 -.0883 999.9900 .6346 999.9900 .4476 .3313 .6641 -.2620 .1239 .2792 92 PHE 92 -.0803 -2.6964 999.9900 999.9900 .7573 -.6731 .6751 .1013 .3404 -.2486 93 TYR 93 -.1387 .2608 999.9900 999.9900 .5630 .2283 .6792 -.1700 .1838 .2388 94 VAL 94 -.3909 999.9900 .6672 999.9900 .7810 .3524 .6627 .1065 .3382 .3653 95 ILE 95 -.7007 -1.5793 999.9900 999.9900 .6034 -.5589 .6672 .0353 .2986 -.1948 96 ILE 96 .4877 -1.6252 999.9900 999.9900 .6034 -.1780 .6553 .0330 .2923 .0308 97 TYR 97 -.1387 .5339 999.9900 999.9900 .5630 .3194 .6840 -.1860 .1765 .2912 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5878 .4758 .5256 -.4086 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6810 .3188 .4697 -.9056 100 ASN 100 -1.7258 -2.3357 999.9900 999.9900 .7518 -1.1032 .6750 .3824 .5043 -.4505 101 MET 101 -.2651 -.4373 999.9900 .9587 .5203 .1941 .6728 .5175 .5822 .3278 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6770 .2363 .4252 .3477 Means: -.6224 -1.6225 -.1664 -.0112 .7095 -.3236 .6525 .2107 .3956 -.0331 2.00 analyzed_17