1 GLU 1 999.9900 1.1195 999.9900 -1.0323 .4526 .1799 .2846 .6522 .4851 .2953 2 ALA 2 -1.3571 999.9900 999.9900 999.9900 .5367 -.4102 .0075 .6445 .3791 -.0421 3 GLU 3 -1.9801 .7809 999.9900 -1.0323 .3223 -.4773 -.6612 .6372 .0962 -.3222 4 VAL 4 -1.6424 999.9900 .3968 999.9900 -.3121 -.5192 -1.0764 .3737 -.2305 -.4521 5 HIS 5 -1.9498 -2.0147 999.9900 999.9900 -1.6368 -1.8671 -1.2319 -1.0098 -1.1023 -1.5686 6 ASN 6 -.4582 -.5828 999.9900 999.9900 .3127 -.2428 .0512 .1785 .1254 -.0998 7 GLN 7 -3.1236 -.9749 999.9900 1.3059 -.9446 -.9343 .0172 .1241 .0796 -.5993 8 LEU 8 -.1775 -1.4996 999.9900 999.9900 -.7775 -.8182 -1.8131 -.2162 -.8815 -.8967 9 GLU 9 -.5440 1.1195 999.9900 -1.0323 1.0761 .1548 -3.4750 .0915 -1.3945 -.4607 10 ILE 10 .2768 .6227 999.9900 999.9900 .4509 .4501 -1.7640 .4385 -.4792 .0050 11 LYS 11 -.1765 -.0529 999.9900 .5368 -1.2036 -.0719 -1.2585 .3534 -.3182 -.1806 12 PHE 12 -.2560 .8396 999.9900 999.9900 1.0159 .5332 .3378 .6399 .5141 .5155 13 ARG 13 -.6927 .6123 999.9900 .5548 .9385 .3935 .4410 .6456 .5604 .4363 14 LEU 14 -.9403 -1.6805 999.9900 999.9900 .4774 -.7144 .3808 .5593 .4850 -.2406 15 THR 15 .3736 999.9900 -.8810 999.9900 .2932 -.0714 .5975 .4015 .4832 .1570 16 ASP 16 .3371 -.7868 999.9900 999.9900 -.5661 -.3386 .4230 .5366 .4893 -.0113 17 GLY 17 1.0314 999.9900 999.9900 999.9900 -.0291 .5011 .3046 .5255 .4273 .4581 18 SER 18 .1787 999.9900 -.7153 999.9900 .3088 -.0759 -.5405 .3548 -.0183 -.0827 19 ASP 19 -1.0188 -1.2961 999.9900 999.9900 -1.5875 -1.3008 -1.5206 .5847 -.2925 -.9677 20 ILE 20 -.4035 .6227 999.9900 999.9900 -.1449 .0248 .1348 .0112 .0627 .0441 21 GLY 21 -1.7079 999.9900 999.9900 999.9900 .4101 -.6489 .6567 .5240 .5830 -.0293 22 PRO 22 .4049 999.9900 999.9900 999.9900 .4496 .4273 -.6971 .3819 -.0677 .1348 23 LYS 23 -.3223 .8596 999.9900 -.4035 .4783 .0417 -.4042 .3494 .0354 .0220 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .3365 -.3463 -.0374 .6250 .3490 -.0263 25 PHE 25 -.4973 -.0090 999.9900 999.9900 -2.2412 -.9158 -.0024 .1617 .0933 -.5176 26 PRO 26 .1514 999.9900 999.9900 999.9900 -.2912 -.0699 .5571 .5085 .5288 .2314 27 ASP 27 -.0333 -1.2611 999.9900 999.9900 -.4783 -.5909 .1248 .3078 .2316 -.2680 28 ALA 28 -.6970 999.9900 999.9900 999.9900 .4419 -.1275 .5428 .5003 .5180 .1970 29 THR 29 -.0745 999.9900 .7650 999.9900 .6695 .4534 .0786 .5890 .3764 .4055 30 THR 30 -.4672 999.9900 -.8810 999.9900 .5490 -.2664 .0337 .4962 .3035 -.0538 31 VAL 31 -.2252 999.9900 1.1129 999.9900 -.5257 .1207 .5456 .5743 .5623 .2964 32 SER 32 .7360 999.9900 .3727 999.9900 .8558 .6548 .4342 .5174 .4827 .5832 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.1129 .2118 .7034 .6700 .6839 .4492 34 LEU 34 .9913 .3419 999.9900 999.9900 .5787 .6373 .0779 .0580 .0663 .4096 35 LYS 35 .9451 -1.8181 999.9900 -.0397 -.4892 -.2883 .3973 .2241 .2962 -.1172 36 GLU 36 .8604 .6687 999.9900 -1.0323 .0339 .1327 .4657 .5563 .5186 .2588 37 THR 37 1.2375 999.9900 .8779 999.9900 .7246 .9467 .2197 .5264 .3986 .7172 38 VAL 38 .8065 999.9900 .3968 999.9900 .8778 .6937 .4855 .6265 .5678 .6386 39 ILE 39 .4667 .6227 999.9900 999.9900 1.0081 .6992 .2889 .5977 .4691 .5968 40 SER 40 .0652 999.9900 -.7153 999.9900 .6235 -.0089 .3025 .5471 .4452 .1646 41 GLU 41 .0765 .4305 999.9900 -1.0323 .3223 -.0507 .3488 .6874 .5463 .1389 42 TRP 42 -.2197 -.6490 999.9900 999.9900 -.1614 -.3434 .4749 -.2921 .0275 -.1695 43 PRO 43 -2.2783 999.9900 999.9900 999.9900 .6188 -.8298 .4691 .4630 .4655 -.1818 44 ARG 44 .2784 1.0858 999.9900 .1593 -.2445 .2877 .6776 .4633 .5526 .3685 45 GLU 45 -.2702 .7809 999.9900 -1.0323 .2491 -.0681 .5102 .4240 .4599 .1103 46 LYS 46 -.9253 -.2970 999.9900 .5131 -.2082 -.0808 .2795 .6437 .4920 .0742 47 GLU 47 -3.2255 -.6497 999.9900 .3501 .2101 -.8288 .4466 .5455 .5043 -.3872 48 ASN 48 -1.8173 -1.5725 999.9900 999.9900 -2.3288 -1.9062 -2.8115 -1.1135 -1.8210 -1.9287 49 GLY 49 -1.3427 999.9900 999.9900 999.9900 -2.9933 -2.1680 -1.5963 -1.1743 -1.3619 -1.7766 50 PRO 50 .4011 999.9900 999.9900 999.9900 .4021 .4016 -.6433 .3766 -.0484 .1341 51 LYS 51 -3.5196 .7597 999.9900 .7677 .5062 -.1437 -.2924 .5306 .1877 -.0686 52 THR 52 -.1684 999.9900 .4804 999.9900 .6112 .3077 -.2535 .5981 .2433 .2535 53 VAL 53 -.6460 999.9900 -1.0788 999.9900 .7810 -.3146 .2428 .0443 .1270 -.1313 54 LYS 54 .3654 1.1488 999.9900 1.1681 .5595 .8820 .5273 .6642 .6072 .8002 55 GLU 55 -2.0601 -.1887 999.9900 -1.0323 -.5746 -.9639 .1818 .3201 .2625 -.5590 56 VAL 56 -.3818 999.9900 -1.0788 999.9900 -.2503 -.5703 .2384 .4903 .3854 -.1964 57 LYS 57 -.2345 1.1188 999.9900 -.0397 -1.0384 -.0467 .2778 .1772 .2191 .0316 58 LEU 58 .0986 -2.1315 999.9900 999.9900 .3346 -.5661 .4111 .6279 .5375 -.1319 59 ILE 59 .2866 -.0236 999.9900 999.9900 .1133 .1255 .2737 .6389 .4867 .2578 60 SER 60 -.7578 999.9900 -.0289 999.9900 .3425 -.1481 .4562 .5967 .5381 .1217 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .4617 -.6318 .2145 .4836 .3715 -.1414 62 GLY 62 .3894 999.9900 999.9900 999.9900 .6270 .5082 .2698 .6816 .4986 .4920 63 LYS 63 -.1919 -.2695 999.9900 1.0822 -.2707 .2865 .4471 .2114 .3096 .2987 64 VAL 64 -.4192 999.9900 -.5532 999.9900 .4426 -.1766 -.1879 .5745 .2568 -.0286 65 LEU 65 -.4065 -1.4996 999.9900 999.9900 .4504 -.4852 -.2754 .5860 .2271 -.2290 66 GLU 66 -.9870 1.1195 999.9900 -1.0323 -1.0906 -.4976 .5703 .5955 .5850 -.1374 67 ASN 67 .1528 -2.0766 999.9900 999.9900 .1585 -.5884 .0394 .3779 .2369 -.2696 68 SER 68 .6980 999.9900 -.0289 999.9900 -.1244 .1816 -.2555 .5799 .2318 .1738 69 LYS 69 -1.2016 -.3256 999.9900 1.3409 .1791 .2667 .0923 .5129 .3376 .2770 70 THR 70 -.1684 999.9900 .6346 999.9900 .6695 .3786 .4353 -.0503 .1520 .3041 71 VAL 71 1.0462 999.9900 .9747 999.9900 .5258 .8489 .3639 .5380 .4655 .6897 72 LYS 72 .7090 .8340 999.9900 .9312 .8827 .8576 .5455 .3863 .4526 .7457 73 ASP 73 1.3227 -2.4630 999.9900 999.9900 .2216 -.3062 .2243 .6462 .4704 -.0096 74 TYR 74 -.5385 .8376 999.9900 999.9900 .7393 .3461 .1089 .6430 .4205 .3581 75 ARG 75 -1.7561 -.7463 999.9900 .1593 .7064 -.2955 -1.7530 -.0615 -.7663 -.4703 76 SER 76 .1093 999.9900 -.7153 999.9900 .3088 -.0991 .1057 .3255 .2339 .0268 77 PRO 77 -2.3165 999.9900 999.9900 999.9900 .5793 -.8686 -.9846 -.1946 -.5238 -.7291 78 VAL 78 -.9031 999.9900 .7395 999.9900 .4989 .1117 -1.9083 -1.7101 -1.7927 -.6566 79 SER 79 -3.2405 999.9900 -.0289 999.9900 -.4586 -1.2427 .4124 .4489 .4337 -.5734 80 ASN 80 -.2518 -.2921 999.9900 999.9900 -.1777 -.2405 .1877 .6784 .4740 .0289 81 LEU 81 -2.6981 -1.6462 999.9900 999.9900 .6708 -1.2245 -1.2741 .6243 -.1667 -.8647 82 ALA 82 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 -.8134 .4709 -.0642 -.2703 83 GLY 83 -2.0431 999.9900 999.9900 999.9900 .4101 -.8165 -.3410 .6315 .1993 -.3356 84 ALA 84 -.8393 999.9900 999.9900 999.9900 .0520 -.3937 .0982 .6864 .4413 -.0007 85 VAL 85 .5332 999.9900 -.0276 999.9900 .6503 .3853 -1.1670 .5378 -.1726 .1053 86 THR 86 .1734 999.9900 -.2947 999.9900 .5164 .1317 -.2311 .4913 .1903 .1311 87 THR 87 .2423 999.9900 .2916 999.9900 .2504 .2614 -.0670 .5239 .2777 .2483 88 MET 88 -.1902 .2906 999.9900 .9587 -1.9874 -.2321 .5089 .5413 .5278 .0203 89 HIS 89 -.2950 -1.0384 999.9900 999.9900 .5967 -.2456 -.8393 .6327 .0194 -.1887 90 VAL 90 .1037 999.9900 .4980 999.9900 .6734 .4250 -1.1225 .5336 -.1565 .1372 91 ILE 91 -.0022 -.3653 999.9900 999.9900 -.1449 -.1708 -.5362 .3029 -.0468 -.1492 92 ILE 92 -.8627 -2.2551 999.9900 999.9900 -1.2029 -1.4402 -.7857 .5215 -.0232 -.9170 93 GLN 93 -.5047 1.1250 999.9900 1.3059 -.2736 .4131 -1.3468 .3473 -.3585 .1088 94 ALA 94 -1.4499 999.9900 999.9900 999.9900 -.3587 -.9043 .3771 .6119 .5140 -.2049 95 PRO 95 -2.4417 999.9900 999.9900 999.9900 -.4005 -1.4211 -.5573 .6562 .1506 -.6858 96 VAL 96 -.4192 999.9900 -.0276 999.9900 .7810 .1114 .4376 .5024 .4754 .2549 97 THR 97 -.6745 999.9900 .7650 999.9900 .0572 .0492 .3859 .6034 .5128 .2274 98 GLU 98 -1.2516 .7809 999.9900 -1.0323 .7127 -.1976 .4992 .5283 .5161 .0395 99 LYS 99 -3.5196 .8596 999.9900 .9587 .2547 -.0976 .0012 .2469 .1445 -.0343 100 GLU 100 -1.7894 1.1195 999.9900 -1.0323 -.7952 -.6244 .3495 .2003 .2625 -.3246 101 LYS 101 999.9900 .8340 999.9900 .6133 999.9900 .6869 .2927 -.2968 -.0441 .4113 Means: -.5637 -.1660 .0463 .2319 .0667 -.1440 -.1287 .3780 .1661 -.0416 2.00 refined_17