1 GLU 1 999.9900 .8034 999.9900 -1.0323 .4218 .0643 .0044 .5993 .3289 .1593 2 ALA 2 -.9197 999.9900 999.9900 999.9900 .4419 -.2389 -.5043 .4006 .0236 -.1454 3 GLU 3 -.9870 -.6497 999.9900 -1.0323 1.0761 -.3982 -.3841 .2675 -.0040 -.2849 4 VAL 4 -.9687 999.9900 .4980 999.9900 .7810 .1035 .1028 .1135 .1090 .1053 5 HIS 5 -3.0884 -.4813 999.9900 999.9900 .3381 -1.0772 -.2387 .4081 .1386 -.6124 6 ASN 6 -.0283 .1037 999.9900 999.9900 .1585 .0780 -.0429 .2150 .1075 .0812 7 GLN 7 -3.1236 -.7562 999.9900 1.3059 -2.2865 -1.2151 -2.2605 .4144 -.7001 -1.1178 8 LEU 8 -.3571 .5315 999.9900 999.9900 -.6084 -.1447 -.8591 .5253 -.0515 -.1536 9 GLU 9 -.5863 .4207 999.9900 -1.0323 -.1261 -.3310 -1.4152 -.2901 -.7589 -.5049 10 ILE 10 .3059 .6227 999.9900 999.9900 -2.1444 -.4053 -.7243 .6123 .0554 -.2656 11 LYS 11 -.2512 .1550 999.9900 -.4035 -1.0384 -.3883 -1.1644 .2490 -.3399 -.4081 12 PHE 12 -.2560 .9147 999.9900 999.9900 .5949 .4179 -.7029 .5346 .0189 .2171 13 ARG 13 -.6502 .7158 999.9900 .1593 -.3418 .0085 -.2101 .3412 .1115 .0248 14 LEU 14 -.4282 .8730 999.9900 999.9900 -.1723 .0908 -.0411 .5277 .2907 .1518 15 THR 15 -.1166 999.9900 -.8810 999.9900 .5490 -.1495 .3890 .2827 .3270 .0446 16 ASP 16 .1806 -.7325 999.9900 999.9900 -.3226 -.2915 .5447 .5555 .5510 .0451 17 GLY 17 .8709 999.9900 999.9900 999.9900 -.3938 .2386 .2332 .5289 .3975 .3098 18 SER 18 -.6802 999.9900 .3727 999.9900 -.4586 -.2554 .3568 .3740 .3668 -.0071 19 ASP 19 -1.1787 -1.0518 999.9900 999.9900 -.1266 -.7857 -.5455 .4644 .0436 -.4876 20 ILE 20 -.4035 .6227 999.9900 999.9900 .7362 .3185 .1239 -.0243 .0375 .2110 21 GLY 21 -1.3026 999.9900 999.9900 999.9900 -.0631 -.6828 .5527 .4220 .4801 -.0977 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 -.4250 .3512 .0278 .1876 23 LYS 23 -.2345 1.1634 999.9900 -.4035 .7460 .1736 -3.7392 .4721 -1.2826 -.3427 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .0817 -.4738 -.3977 .6173 .1944 -.1820 25 PHE 25 -.2986 .3647 999.9900 999.9900 .1482 .0714 -.8200 .4913 -.0551 -.0229 26 PRO 26 .5449 999.9900 999.9900 999.9900 .2426 .3938 .3873 .4739 .4379 .4122 27 ASP 27 1.1285 -.3623 999.9900 999.9900 .8104 .5255 .6275 .5796 .5996 .5568 28 ALA 28 -.4579 999.9900 999.9900 999.9900 .9520 .2471 .4367 .6573 .5654 .3970 29 THR 29 -.2075 999.9900 .2916 999.9900 .5490 .2110 .1421 .5391 .3737 .2629 30 THR 30 -.2569 999.9900 .0483 999.9900 .4476 .0796 .4584 .6213 .5534 .2637 31 VAL 31 -.2252 999.9900 .7395 999.9900 -.5257 -.0038 .5854 .5489 .5641 .2246 32 SER 32 .7360 999.9900 -.7153 999.9900 .5215 .1807 .5357 .6503 .6026 .3456 33 ALA 33 .5364 999.9900 999.9900 999.9900 .4419 .4892 .6488 .6843 .6695 .5779 34 LEU 34 .9913 .3419 999.9900 999.9900 -.0308 .4341 .0421 .0134 .0254 .2716 35 LYS 35 .6780 1.2989 999.9900 .8261 -.4892 .6280 .3071 .4006 .3617 .5497 36 GLU 36 .6116 .3642 999.9900 1.1588 .0339 .5421 .4046 .6292 .5356 .5337 37 THR 37 1.1372 999.9900 .2916 999.9900 .5490 .6593 .2779 .5747 .4510 .5661 38 VAL 38 .9834 999.9900 .5873 999.9900 .2505 .6071 .4219 .4688 .4492 .5424 39 ILE 39 1.0067 .4983 999.9900 999.9900 -1.2029 .1007 .5270 .4268 .4686 .2512 40 SER 40 .8760 999.9900 .3727 999.9900 -.6377 .2037 .5891 .6064 .5992 .3613 41 GLU 41 -1.4314 .4305 999.9900 .3501 .2865 -.0911 .1984 .6533 .4637 .0812 42 TRP 42 -.1712 -1.4740 999.9900 999.9900 -.1614 -.6022 .4188 .3944 .4046 -.1987 43 PRO 43 .0321 999.9900 999.9900 999.9900 .4496 .2409 -.2242 .5340 .2181 .1979 44 ARG 44 .2784 1.0644 999.9900 .1593 -.0761 .3171 .6575 .3385 .4714 .3688 45 GLU 45 .4426 -.1887 999.9900 -1.0323 .3899 -.0971 .4490 .4574 .4539 .0863 46 LYS 46 -.7292 -.3256 999.9900 .4411 -.3378 -.1021 .1241 .4671 .3242 .0116 47 GLU 47 -.6811 -.4402 999.9900 -1.0323 1.0761 -.2694 -1.2454 .6470 -.1415 -.2793 48 ASN 48 -.9637 -.2034 999.9900 999.9900 .4024 -.2549 -.7649 -.0153 -.3276 -.3090 49 GLY 49 -2.2927 999.9900 999.9900 999.9900 -1.7465 -2.0196 -.1806 .3915 .1372 -.9571 50 PRO 50 -3.5209 999.9900 999.9900 999.9900 .8563 -1.3323 .4265 .5789 .5154 -.4148 51 LYS 51 -1.8261 1.1488 999.9900 .6506 -.1497 .0948 .2773 .6445 .4915 .1994 52 THR 52 -.1311 999.9900 .6346 999.9900 .2932 .2656 .3763 .4608 .4256 .3268 53 VAL 53 -.8511 999.9900 -1.0788 999.9900 .8960 -.3446 -.5154 -.2837 -.3802 -.3666 54 LYS 54 .9480 .4325 999.9900 1.1993 -2.6618 .2235 .2144 .3003 .2645 .2331 55 GLU 55 -.6726 .5971 999.9900 -1.0323 .2865 -.2053 .0858 .2954 .2081 -.0734 56 VAL 56 -.0288 999.9900 .3968 999.9900 .5258 .2979 -.2474 .5825 .2367 .2458 57 LYS 57 -.7069 .2165 999.9900 .5131 -.3378 .0396 -.4107 .4325 .0811 .0314 58 LEU 58 -.1775 -3.3760 999.9900 999.9900 -1.0998 -1.5511 -.0315 -.8927 -.5339 -1.1155 59 ILE 59 .0187 .6227 999.9900 999.9900 .7362 .4592 -.0168 .5334 .3041 .3788 60 SER 60 -.4057 999.9900 -.0289 999.9900 .8558 .1404 .0530 .4246 .2698 .1798 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .8416 -.6838 .3320 .4580 .4055 -.1444 62 GLY 62 .6263 999.9900 999.9900 999.9900 .8277 .7270 .4836 .6713 .5879 .6522 63 LYS 63 -.2075 -2.1617 999.9900 .9953 -.0430 -.0843 -.6070 .5819 .0865 -.0638 64 VAL 64 -.2674 999.9900 .3968 999.9900 .4426 .1907 -.1775 .6168 .2858 .2022 65 LEU 65 -.2022 -1.4996 999.9900 999.9900 .3346 -.4557 -.3747 .5266 .1511 -.2430 66 GLU 66 -.6240 .8225 999.9900 -1.0323 -1.8950 -.6822 .2419 .3318 .2944 -.3592 67 ASN 67 .1528 -2.7010 999.9900 999.9900 -.1777 -.9086 .1711 -.0613 .0355 -.5232 68 SER 68 .4533 999.9900 .6576 999.9900 .6931 .6013 .5288 .5762 .5564 .5818 69 LYS 69 -.9723 -.3256 999.9900 1.0897 .6576 .3078 .2554 .4643 .3773 .3227 70 THR 70 -.1684 999.9900 .0483 999.9900 .6695 .1831 .3279 -.2399 -.0033 .1275 71 VAL 71 1.0462 999.9900 1.0696 999.9900 .5258 .8805 .4766 .5845 .5396 .7406 72 LYS 72 -.1232 .8340 999.9900 .2868 .6340 .3837 .5477 .3273 .4191 .3991 73 ASP 73 1.1285 -1.4542 999.9900 999.9900 .9215 .1986 .1629 .6342 .4378 .2786 74 TYR 74 -.4658 .5297 999.9900 999.9900 .1301 .0647 .3525 .4837 .4290 .2060 75 ARG 75 -2.9267 -.2995 999.9900 .1593 .7064 -.4402 -.6828 .5588 .0415 -.3322 76 SER 76 -.3328 999.9900 .3727 999.9900 -.1244 -.0281 .1435 .4430 .3182 .1004 77 PRO 77 -2.9776 999.9900 999.9900 999.9900 -1.3105 -2.1441 -.3330 .3671 .0754 -1.0635 78 VAL 78 -1.8264 999.9900 -1.0788 999.9900 .6025 -.7676 -.7936 .4106 -.0912 -.5371 79 SER 79 -3.7598 999.9900 -.7153 999.9900 -.4586 -1.6446 -.4071 .4026 .0652 -.9877 80 ASN 80 -.1102 .3778 999.9900 999.9900 -1.3432 -.3585 .2371 .5033 .3924 -.0671 81 LEU 81 -.6961 .5280 999.9900 999.9900 .6486 .1602 -.2788 .1275 -.0418 .0659 82 ALA 82 -1.9174 999.9900 999.9900 999.9900 .4617 -.7279 .2345 .6116 .4544 -.1524 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 -.0631 -1.7747 .5069 .5960 .5564 -.6116 84 ALA 84 -1.1448 999.9900 999.9900 999.9900 .4419 -.3514 .4168 .6776 .5689 .0979 85 VAL 85 -.2674 999.9900 .5873 999.9900 -1.0415 -.2405 -1.2595 .5033 -.2312 -.2955 86 THR 86 .4171 999.9900 .0483 999.9900 -1.1761 -.2369 -.3875 .4912 .1251 -.1214 87 THR 87 .0164 999.9900 .9776 999.9900 -1.0006 -.0022 -1.7356 .4209 -.4776 -.2643 88 MET 88 -.1902 -1.7864 999.9900 .9587 -.8385 -.4641 -.0723 -.4119 -.2704 -.3901 89 HIS 89 -.2950 .6809 999.9900 999.9900 .5185 .3015 .0874 .5693 .3685 .3122 90 VAL 90 .2313 999.9900 .2799 999.9900 .5258 .3457 -1.8026 .3141 -.5679 -.0903 91 ILE 91 .2768 -1.6252 999.9900 999.9900 .0546 -.4313 -1.7513 .3370 -.5332 -.5416 92 ILE 92 -.2299 -.0177 999.9900 999.9900 -.2211 -.1562 -.3827 .5555 .1646 -.0592 93 GLN 93 -.5591 .6816 999.9900 1.3059 .3348 .4408 -.4362 .4425 .0764 .2949 94 ALA 94 -.8937 999.9900 999.9900 999.9900 -.6283 -.7610 .2795 .5411 .4321 -.1754 95 PRO 95 .3744 999.9900 999.9900 999.9900 .7281 .5513 .1183 .5222 .3539 .4358 96 VAL 96 -2.0685 999.9900 -1.0788 999.9900 .5776 -.8565 -.0889 .1804 .0682 -.4956 97 THR 97 -1.0713 999.9900 -.8810 999.9900 -1.0006 -.9843 .3297 .3242 .3265 -.4598 98 GLU 98 -2.8104 .7809 999.9900 -1.0323 .2865 -.6938 .4759 .1865 .3071 -.3522 99 LYS 99 -3.5196 -.0931 999.9900 .9398 .2547 -.2957 .0154 -2.3326 -1.3543 -.5422 100 GLU 100 -1.7894 1.1195 999.9900 -1.0323 .1264 -.3940 .1446 .3711 .2767 -.1767 101 LYS 101 999.9900 .8596 999.9900 .4405 999.9900 .5802 .2000 .4588 .3479 .4799 Means: -.5387 -.0088 .0820 .2249 .0246 -.1208 -.1108 .3775 .1733 -.0218 2.00 refined_11