1 GLU 1 999.9900 -.4584 999.9900 .3501 .6899 .1939 .6749 .5135 .5869 .3540 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6689 .3167 .4635 -.4333 3 GLU 3 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6742 .5261 .5878 -.6377 4 VAL 4 -.0582 999.9900 .4980 999.9900 .7810 .4069 .6569 .1334 .3515 .4022 5 HIS 5 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .6753 .3239 .4703 -.6870 6 ASN 6 -.5668 -2.0766 999.9900 999.9900 .7518 -.6305 .6750 .3768 .5010 -.1680 7 GLN 7 -2.2003 -.0058 999.9900 2.7911 .5113 .2741 .6789 .5248 .5890 .3833 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6749 .1399 .3628 -.3362 9 GLU 9 -.4269 -2.3808 999.9900 .3501 .6899 -.4419 .6768 .5274 .5897 -.0939 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6569 .0486 .3021 .3185 11 LYS 11 -.2799 -2.4344 999.9900 -.4035 .7460 -.5551 .6749 .1538 .3710 -.2781 12 PHE 12 .0966 -.1815 999.9900 999.9900 .7573 .2241 .6785 .0936 .3373 .2889 13 ARG 13 -.4439 -2.3766 999.9900 .1593 .8581 -.3287 .6757 .5206 .5852 -.0639 14 LEU 14 -.9403 -2.9612 999.9900 999.9900 .9565 -.9816 .6769 .1604 .3756 -.4215 15 THR 15 .8748 999.9900 -.2947 999.9900 .4476 .3426 .6580 -.2662 .1189 .2839 16 ASP 16 .0771 -2.1980 999.9900 999.9900 .8104 -.4369 .6802 .3837 .5072 -.0493 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5896 .4749 .5259 .7210 18 SER 18 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6786 .5416 .5987 .2569 19 ASP 19 -.9509 -3.1847 999.9900 999.9900 .8104 -1.1084 .6766 .3902 .5095 -.4517 20 ILE 20 -.2252 .8778 999.9900 999.9900 .6034 .4187 .6578 .0364 .2953 .3900 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3451 .4751 .4173 .0199 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5569 -.3532 .0260 .2569 23 LYS 23 -.2799 -1.5918 999.9900 -.4035 .7460 -.3866 .6734 .1554 .3712 -.1577 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6654 .3261 .4675 .2396 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4927 .1018 .2647 .1862 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5510 -.3728 .0121 .2619 27 ASP 27 .2994 .1670 999.9900 999.9900 .8104 .4256 .6754 .3896 .5087 .4684 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6700 .3179 .4646 .2147 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6557 -.2501 .1273 -.0503 30 THR 30 -.2075 999.9900 -.8810 999.9900 .4476 -.2137 .6632 -.2518 .1295 -.0459 31 VAL 31 -1.6906 999.9900 .6672 999.9900 .7810 -.0808 .6575 .1185 .3431 .1067 32 SER 32 .8349 999.9900 .3727 999.9900 .6705 .6260 .6798 .5337 .5946 .6183 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6679 .3222 .4663 .5249 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6736 .1554 .3713 -.1424 35 LYS 35 .6751 -.7918 999.9900 .2495 .7460 .2257 .6804 .1579 .3756 .2810 36 GLU 36 .6116 -.7859 999.9900 1.1588 .6899 .4186 .6731 .5216 .5847 .4782 37 THR 37 1.2375 999.9900 -.2947 999.9900 .4476 .4634 .6542 -.2456 .1293 .3598 38 VAL 38 .7260 999.9900 .8055 999.9900 .7810 .7709 .6542 .1301 .3485 .6194 39 ILE 39 .7069 .6227 999.9900 999.9900 .6034 .6443 .6562 .0439 .2990 .5266 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6807 .5346 .5955 .4093 41 GLU 41 .6833 -1.3104 999.9900 -1.0323 .6899 -.2424 .6824 .5174 .5861 .0384 42 TRP 42 -.0620 -1.3095 999.9900 999.9900 .9378 -.1446 .4816 .1995 .3171 .0495 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5432 -.3412 .0273 -.1904 44 ARG 44 .3315 -2.8571 999.9900 1.2208 .8581 .1548 .6769 .5158 .5830 .2810 45 GLU 45 -.1289 -2.3808 999.9900 .3501 .6899 -.3674 .6736 .5248 .5868 -.0452 46 LYS 46 -3.5196 -1.9682 999.9900 -.0397 .7460 -.9643 .6780 .1611 .3765 -.5689 47 GLU 47 -1.0469 -1.4588 999.9900 -1.0323 .6899 -.7120 .6777 .5260 .5892 -.2741 48 ASN 48 .0003 -2.3357 999.9900 999.9900 .7518 -.5279 .6807 .3877 .5098 -.1030 49 GLY 49 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .3567 .4679 .4185 .1495 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5501 -.3847 .0048 -.1378 51 LYS 51 -3.5196 -.8858 999.9900 .2495 .7460 -.6321 .6809 .1504 .3714 -.3327 52 THR 52 -.4146 999.9900 .0483 999.9900 .4476 .0271 .6569 -.2537 .1258 .0969 53 VAL 53 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6574 .1272 .3481 .3066 54 LYS 54 .0195 .2358 999.9900 -.4035 .7460 .0389 .6766 .1669 .3793 .1483 55 GLU 55 -1.2977 -.2011 999.9900 .3501 .6899 -.1147 .6786 .5252 .5891 .1242 56 VAL 56 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6619 .1304 .3519 .2126 57 LYS 57 -.2512 -1.8181 999.9900 -.0770 .7460 -.2954 .6776 .1558 .3733 -.0920 58 LEU 58 -.0411 -1.8410 999.9900 999.9900 .9565 -.3085 .6764 .1667 .3791 -.0165 59 ILE 59 .2866 -2.4201 999.9900 999.9900 .6034 -.5100 .6458 .0391 .2919 -.1690 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6809 .5324 .5943 .0010 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6672 .3231 .4664 -.0043 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5885 .4766 .5263 .6235 63 LYS 63 -.3099 -1.9682 999.9900 .4778 .7460 -.1153 .6771 .1451 .3668 .0351 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6610 .1118 .3406 .0053 65 LEU 65 -.3112 -2.3037 999.9900 999.9900 .9565 -.5528 .6743 .1457 .3659 -.1677 66 GLU 66 -1.1499 -1.2470 999.9900 -1.0323 .6899 -.6848 .6747 .5255 .5876 -.2565 67 ASN 67 .1528 -2.0766 999.9900 999.9900 .7518 -.3907 .6786 .3820 .5056 -.0223 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6767 .5287 .5903 .2540 69 LYS 69 -.8956 -.5490 999.9900 -.0397 .7460 -.1556 .6766 .1619 .3764 .0086 70 THR 70 -.6884 999.9900 -.8810 999.9900 .4476 -.3740 .6504 -.2508 .1247 -.1445 71 VAL 71 .7260 999.9900 -.2457 999.9900 .7810 .4205 .6550 .1205 .3432 .4074 72 LYS 72 .9480 -1.6955 999.9900 -.4035 .7460 -.1617 .6774 .1707 .3818 .0057 73 ASP 73 .2251 -.7325 999.9900 999.9900 .8104 .1010 .6820 .3910 .5123 .2752 74 TYR 74 -1.2852 -4.1972 999.9900 999.9900 .5630 -1.6398 .6783 -.1717 .1824 -.8826 75 ARG 75 -.9903 -2.8571 999.9900 .1593 .8581 -.5341 .6764 .5227 .5867 -.2102 76 SER 76 .2494 999.9900 -.7153 999.9900 .6705 .0682 .4824 .5278 .5089 .2429 77 PRO 77 -3.0630 999.9900 999.9900 999.9900 .4496 -1.3067 .5401 -.3610 .0144 -.6086 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6553 .1261 .3466 -.7714 79 SER 79 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .6777 .5310 .5921 -.1742 80 ASN 80 -.6931 -2.3357 999.9900 999.9900 .7518 -.7590 .6773 .3770 .5021 -.2446 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6760 .1549 .3720 -.9888 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6624 .3132 .4587 -.4358 83 GLY 83 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .5824 .4771 .5239 .2015 84 ALA 84 -.2598 999.9900 999.9900 999.9900 .7458 .2430 .6628 .3146 .4597 .3659 85 VAL 85 -1.1433 999.9900 -.0276 999.9900 .7810 -.1299 .6623 .1253 .3491 .0796 86 THR 86 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .6528 -.2708 .1141 -.0010 87 THR 87 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6574 -.2555 .1249 .1497 88 MET 88 -.3657 -2.5481 999.9900 .9587 .5203 -.3587 .6742 .5069 .5766 -.0423 89 HIS 89 -.5497 -2.0147 999.9900 999.9900 .6686 -.6319 .6809 .3228 .4720 -.1784 90 VAL 90 -.9687 999.9900 .4980 999.9900 .7810 .1035 .6593 .1267 .3486 .2193 91 ILE 91 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6610 .0434 .3008 -.2966 92 ILE 92 -.2299 -1.3043 999.9900 999.9900 .6034 -.3103 .6546 .0349 .2931 -.0483 93 GLN 93 -1.6601 -2.6982 999.9900 1.3059 .5113 -.6353 .6747 .5253 .5876 -.2235 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4861 .3355 .3982 .1516 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5429 -.3889 -.0006 .0768 96 VAL 96 -4.3409 999.9900 .8055 999.9900 .7810 -.9181 .6553 .1171 .3414 -.3964 97 THR 97 -4.2065 999.9900 .0483 999.9900 .4476 -1.2369 .6577 -.2608 .1219 -.6627 98 GLU 98 -.8826 -1.5476 999.9900 -1.0323 .6899 -.6931 .6787 .5157 .5836 -.2630 99 LYS 99 -3.5196 -1.5020 999.9900 -.4035 .7460 -1.0165 .6806 .1499 .3710 -.6075 100 GLU 100 -1.2516 -1.7714 999.9900 -1.0323 .6899 -.8414 .6775 .5187 .5849 -.3615 101 LYS 101 999.9900 -2.4344 999.9900 -.4035 999.9900 -1.0805 .6827 -.0325 .2740 -.5183 Means: -.6808 -1.6697 -.3535 .0295 .6979 -.3006 .6482 .2067 .3913 -.0212 2.00 analyzed_8