1 MET 1 999.9900 .5321 999.9900 .9587 .6113 .7007 .5844 .6456 .6178 .6664 2 ALA 2 -1.0624 999.9900 999.9900 999.9900 .4999 -.2812 .5643 .5932 .5811 .1488 3 ASP 3 -2.3854 -1.3712 999.9900 999.9900 .5431 -1.0711 -.2305 .1250 -.0231 -.6638 4 THR 4 -.1311 999.9900 .2916 999.9900 .4476 .2027 .1166 .2359 .1862 .1921 5 GLY 5 -2.2927 999.9900 999.9900 999.9900 .9364 -.6781 -7.2114 .2693 -3.0555 -2.0746 6 GLU 6 -1.4621 -1.4588 999.9900 -1.0323 .0814 -.9679 -1.7926 .2183 -.6196 -.9077 7 VAL 7 -.3682 999.9900 -1.0788 999.9900 -.0858 -.5109 -2.2815 .2614 -.7981 -.7106 8 GLN 8 -.4190 .6816 999.9900 1.3059 .5113 .5199 -1.4298 .2970 -.4225 .1578 9 PHE 9 .1414 .5902 999.9900 999.9900 .8956 .5424 -.6301 .4553 .0030 .2905 10 MET 10 -.2520 .0095 999.9900 .9587 .0476 .1909 -.8826 .5304 -.0584 .0686 11 LYS 11 -.5771 -.3555 999.9900 .3240 -.4892 -.1548 .3664 .6086 .5077 .0287 12 PRO 12 -.2605 999.9900 999.9900 999.9900 -.5244 -.3924 -.8679 .4979 -.0712 -.2887 13 PHE 13 -.5560 -.1636 999.9900 999.9900 .6382 -.0271 .5191 .0618 .2524 .0999 14 ILE 14 .2768 .6227 999.9900 999.9900 .0546 .3180 .1008 .4352 .2959 .2980 15 SER 15 .8349 999.9900 -.7153 999.9900 -2.5979 -.8261 .4463 .1382 .2666 -.3788 16 GLU 16 -.2326 .4158 999.9900 -1.0323 -1.0906 -.4849 .1318 .4293 .3054 -.2298 17 LYS 17 -2.0221 -2.1617 999.9900 .5368 -.1497 -.6520 .3445 -.5227 -.1614 -.4912 18 SER 18 .6370 999.9900 -.0289 999.9900 .8558 .4880 .2477 .6416 .4775 .4706 19 SER 19 .7489 999.9900 .3727 999.9900 -.5437 .1926 .3631 .3272 .3421 .2536 20 LYS 20 -2.1024 1.1488 999.9900 1.1899 .5595 .3971 .1449 .6249 .4249 .3937 21 SER 21 -.4229 999.9900 .3727 999.9900 -.0193 -.0232 -2.0566 .2743 -.6969 -.3704 22 LEU 22 -.4065 -2.3037 999.9900 999.9900 .2381 -.8240 -.3123 .0265 -.1147 -.5516 23 GLU 23 -.4497 -.8169 999.9900 -1.0323 .6899 -.4023 -.3043 .5363 .1860 -.2295 24 ILE 24 -.0022 -.0177 999.9900 999.9900 .2216 .0672 .3658 .5503 .4735 .2236 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .6931 .2317 .4961 .5719 .5403 .3829 26 LEU 26 .8475 -1.4036 999.9900 999.9900 .5787 .0075 .0171 .3648 .2200 .0809 27 GLY 27 .2494 999.9900 999.9900 999.9900 .3466 .2980 .5891 .6443 .6198 .4574 28 PHE 28 .0766 .5902 999.9900 999.9900 -.9498 -.0944 .5906 .2928 .4169 .1201 29 ASN 29 1.1272 -.2921 999.9900 999.9900 .7518 .5290 .3244 .4937 .4232 .4810 30 GLU 30 .0468 .7809 999.9900 -1.0323 .4218 .0543 .4792 .4872 .4839 .1973 31 TYR 31 .6431 .4609 999.9900 999.9900 -.2672 .2789 .4947 .5742 .5411 .3811 32 PHE 32 -3.6149 -.0709 999.9900 999.9900 -1.5955 -1.7604 -.0308 .1478 .0734 -1.0328 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .1827 -.0389 -1.1391 .2662 -.3193 -.2377 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.1070 -.7752 .3463 .4282 .3941 -.1939 35 PRO 35 .4011 999.9900 999.9900 999.9900 -.1935 .1038 .4364 .4669 .4542 .2777 36 PHE 36 -.5560 -.6160 999.9900 999.9900 -.0075 -.3931 -.0622 .5053 .2688 -.1473 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .4949 .1269 .3879 .6897 .5639 .3329 38 ILE 38 -2.0621 -.0177 999.9900 999.9900 .7362 -.4479 .5305 .5407 .5365 -.0545 39 THR 39 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .3074 .6276 .4942 .1798 40 VAL 40 -.3909 999.9900 .4980 999.9900 .7394 .2822 .2391 -.6757 -.2945 .0820 41 ASP 41 -1.2415 -1.0518 999.9900 999.9900 .9215 -.4573 .4839 -.0556 .1692 -.1887 42 LEU 42 .0291 .8730 999.9900 999.9900 -.9806 -.0262 .1433 .5032 .3533 .1136 43 LEU 43 .0762 -1.8410 999.9900 999.9900 -1.2350 -.9999 .1340 .2448 .1986 -.5242 44 ASP 44 -1.0681 -1.9171 999.9900 999.9900 -.5661 -1.1838 -.0595 -.0380 -.0470 -.7298 45 TYR 45 -.3370 .8463 999.9900 999.9900 .1301 .2131 .2687 .1825 .2184 .2181 46 SER 46 .0421 999.9900 .3727 999.9900 -.6377 -.0743 .2284 .4159 .3378 .0843 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 -.2990 -1.3786 .2546 .5003 .3911 -.5006 48 ARG 48 -.4155 -.7463 999.9900 1.6274 -2.3710 -.0556 .2138 .6000 .4391 .0765 49 SER 49 -.2734 999.9900 -.0289 999.9900 .4364 .0447 .0558 .4596 .2913 .1299 50 TRP 50 -.3875 -1.0414 999.9900 999.9900 .0811 -.4493 .0509 .6423 .3959 -.1309 51 THR 51 -1.0713 999.9900 .0483 999.9900 -1.3910 -.8047 -.2171 .4178 .1532 -.4427 52 VAL 52 -.5494 999.9900 -1.0788 999.9900 .2144 -.4713 -.0743 .6806 .3661 -.1615 53 ARG 53 -.5160 1.0644 999.9900 1.8004 .2983 .8895 -.3031 .5408 .1892 .6693 54 MET 54 -.3206 .2906 999.9900 .9587 .4206 .3373 .2067 .0603 .1213 .2694 55 LYS 55 -.1919 1.1488 999.9900 1.2407 .2547 .7386 .4374 .6464 .5593 .6824 56 LYS 56 -.3543 .7568 999.9900 -.4035 .7460 .0683 -2.2802 .3994 -.7171 -.2199 57 ARG 57 -1.5415 .1897 999.9900 .1593 .7064 -.0654 -.1223 .4222 .1953 -.0038 58 GLY 58 -.5278 999.9900 999.9900 999.9900 -1.7465 -1.1372 -.0023 .6378 .3533 -.4097 59 GLU 59 -.5648 .5971 999.9900 -1.0323 -1.0906 -.5226 .3483 .2330 .2810 -.2515 60 LYS 60 -.2345 -.2695 999.9900 -.4035 -2.0338 -.6690 .1503 .6117 .4195 -.3690 61 VAL 61 .4158 999.9900 .1416 999.9900 .1768 .2448 -2.2194 -.0796 -.9712 -.3129 62 PHE 62 -.0168 -.7766 999.9900 999.9900 .1482 -.2151 -1.8874 .2823 -.6218 -.4501 63 LEU 63 -.8349 -1.4036 999.9900 999.9900 -3.2047 -1.8144 -1.3443 -.6879 -.9614 -1.4951 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .9813 -1.3688 -.7155 .0920 -.2445 -.9460 65 VAL 65 -.9399 999.9900 .5873 999.9900 -.3121 -.2215 .4028 .4760 .4455 .0428 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.3519 .5276 .1367 -.5284 67 TRP 67 .4280 .5502 999.9900 999.9900 .2792 .4191 .0019 .4618 .2702 .3442 68 GLU 68 .4426 -1.3804 999.9900 .3501 -.3984 -.2465 .0306 -.4758 -.2648 -.2386 69 ASN 69 .1214 -1.5725 999.9900 999.9900 .4840 -.3223 .2243 .5430 .4102 -.0399 70 PHE 70 .6259 -.1815 999.9900 999.9900 -.0962 .1160 .5131 .4302 .4648 .2583 71 VAL 71 .7683 999.9900 -1.0788 999.9900 -.3121 -.2075 .1556 .5021 .3577 .0070 72 LYS 72 .6751 1.1488 999.9900 .6133 -1.6664 .2768 .5415 .5095 .5228 .3479 73 ASP 73 .9921 -1.3328 999.9900 999.9900 .9215 .1936 .0450 .4982 .3094 .2248 74 ASN 74 -.1320 -2.3357 999.9900 999.9900 .3127 -.7184 .1467 .3714 .2778 -.3274 75 ASN 75 -3.4329 -1.4522 999.9900 999.9900 -.1777 -1.6876 -.2893 .3005 .0548 -1.0103 76 LEU 76 -1.1256 -2.1315 999.9900 999.9900 .5293 -.9093 -.8251 .3846 -.1194 -.6336 77 GLU 77 -.9070 -.4402 999.9900 -1.0323 -.1261 -.6264 -.6991 .4696 -.0173 -.4559 78 ASP 78 -.5899 -1.1646 999.9900 999.9900 .7118 -.3476 -.0771 .3342 .1628 -.1571 79 GLY 79 -.1573 999.9900 999.9900 999.9900 -.2133 -.1853 .1610 .6818 .4504 .1181 80 LYS 80 -.2075 .1761 999.9900 .3546 -.4892 .0377 .0755 .5736 .3661 .1197 81 TYR 81 .2641 .8463 999.9900 999.9900 .6984 .6030 -1.7603 .4674 -.4608 .1032 82 LEU 82 .1006 -1.4996 999.9900 999.9900 .2381 -.3869 -2.1346 .4265 -.6406 -.5738 83 GLN 83 -.1966 .6816 999.9900 1.3059 -.5521 .3097 -.8649 .4631 -.0903 .1395 84 PHE 84 .0058 .5589 999.9900 999.9900 -.5721 -.0025 -.1637 .5716 .2652 .0801 85 ILE 85 .1597 -2.2551 999.9900 999.9900 .4912 -.5347 .1218 .4052 .2871 -.2154 86 TYR 86 .0500 -.1547 999.9900 999.9900 .1301 .0085 .4767 -.0037 .1965 .0997 87 ASP 87 -.5406 -.7325 999.9900 999.9900 .6026 -.2235 .1829 .1754 .1786 -.0624 88 ARG 88 -1.9585 -2.3766 999.9900 1.0856 .4837 -.3361 -.2555 -.4846 -.3891 -.3458 89 ASP 89 -1.9072 -1.0518 999.9900 999.9900 -1.3622 -1.4404 -.1663 .5247 .2368 -.7926 90 ARG 90 -.5979 1.0644 999.9900 .1593 -.0022 .1566 .4906 .3346 .3996 .2297 91 THR 91 .1937 999.9900 .2916 999.9900 .5164 .3339 .3193 .2388 .2723 .3120 92 PHE 92 -.0803 -1.0405 999.9900 999.9900 -.0075 -.3761 -.3075 .4545 .1370 -.1963 93 TYR 93 -.1387 -.9018 999.9900 999.9900 -.4027 -.4811 .4931 .3898 .4328 -.1121 94 VAL 94 .4077 999.9900 .2799 999.9900 -.4490 .0795 .4531 .6862 .5891 .2756 95 ILE 95 .4877 -2.2551 999.9900 999.9900 .2216 -.5153 -.0052 .3866 .2233 -.2329 96 ILE 96 .3543 -3.0500 999.9900 999.9900 .1689 -.8423 -.5585 .4461 .0275 -.5278 97 TYR 97 -.0819 .8492 999.9900 999.9900 -.5629 .0681 -.3730 .3741 .0628 .0411 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .5376 .3611 .4395 -.4400 99 HIS 99 .2028 .6586 999.9900 999.9900 .1122 .3245 .1697 .6253 .4355 .3537 100 ASN 100 -.6274 -1.4522 999.9900 999.9900 .2129 -.6222 -.9744 .5712 -.0728 -.4540 101 MET 101 -1.2959 .8879 999.9900 .9587 .1873 .1845 .2171 .3351 .2859 .2150 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4838 .1035 .2665 .2390 Means: -.4739 -.4324 -.1255 .4403 -.0629 -.2097 -.1846 .3587 .1313 -.0967 2.00 refined_17