1 GLU 1 999.9900 -.2267 999.9900 -1.0323 .7127 -.1821 .2495 .6342 .4593 .0675 2 ALA 2 -.5544 999.9900 999.9900 999.9900 .0817 -.2364 -.1009 .5525 .2803 -.0053 3 GLU 3 -.9870 .7809 999.9900 -1.0323 -1.5390 -.6944 -.7887 .4580 -.0615 -.5180 4 VAL 4 -.1473 999.9900 -.0276 999.9900 -.3781 -.1843 -.5923 .6394 .1262 -.1012 5 HIS 5 -.5497 1.3140 999.9900 999.9900 -.6493 .0383 -.2370 .0648 -.0610 -.0115 6 ASN 6 -3.4329 .1235 999.9900 999.9900 -1.3432 -1.5509 .1002 .4554 .3074 -.8194 7 GLN 7 -3.1236 -.6527 999.9900 1.3059 -.0576 -.6320 -.0240 -.1154 -.0773 -.4446 8 LEU 8 .0986 -3.3760 999.9900 999.9900 -.3368 -1.2047 .5305 -.2922 .0506 -.6752 9 GLU 9 -.4269 .0644 999.9900 -1.0323 .7127 -.1705 -.1872 .2546 .0705 -.1025 10 ILE 10 .1962 .6227 999.9900 999.9900 -1.2029 -.1280 .2797 .6694 .5070 .1130 11 LYS 11 -.1765 -.5490 999.9900 -.4035 -.5755 -.4216 -.3501 .3339 .0489 -.3035 12 PHE 12 .0058 .8396 999.9900 999.9900 .5949 .4801 .5497 .5017 .5217 .4983 13 ARG 13 -.4343 -.4122 999.9900 .1593 -.0022 -.1060 .5924 -.0664 .2081 -.0006 14 LEU 14 -2.5767 .9108 999.9900 999.9900 .2381 -.4759 .5724 .1105 .3030 -.1490 15 THR 15 .1314 999.9900 -.8810 999.9900 .1092 -.2135 .4704 .3049 .3739 .0270 16 ASP 16 .1806 -1.3328 999.9900 999.9900 .5121 -.2134 .6219 .4186 .5033 .0801 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .8277 .9708 .4493 .6258 .5473 .7542 18 SER 18 -.3025 999.9900 .3727 999.9900 -.6377 -.1892 .3621 .5419 .4670 .0673 19 ASP 19 -1.5212 -2.0928 999.9900 999.9900 .6310 -.9943 -.4607 .2280 -.0590 -.6431 20 ILE 20 -.4035 .6227 999.9900 999.9900 .1133 .1109 .3494 .1490 .2325 .1662 21 GLY 21 -1.3026 999.9900 999.9900 999.9900 -1.5458 -1.4242 .6481 .3340 .4736 -.4666 22 PRO 22 .3744 999.9900 999.9900 999.9900 .7618 .5681 -.8749 -.0738 -.4076 .0469 23 LYS 23 -.2799 .7568 999.9900 -.4035 -1.0384 -.2737 .0264 .2330 .1469 -.1585 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .3801 -.3245 -.0459 .6225 .3440 -.0181 25 PHE 25 .1032 .3647 999.9900 999.9900 .5017 .3232 -.2878 .0934 -.0654 .1550 26 PRO 26 .4197 999.9900 999.9900 999.9900 .1827 .3012 -.1722 .3139 .1113 .1860 27 ASP 27 .6418 -.8657 999.9900 999.9900 .8104 .1955 .5682 .1558 .3276 .2621 28 ALA 28 -.4579 999.9900 999.9900 999.9900 -.0105 -.2342 .5887 .4050 .4815 .1313 29 THR 29 -.6474 999.9900 -.8810 999.9900 .9813 -.1824 -.0016 .4346 .2529 -.0228 30 THR 30 -.4672 999.9900 .2916 999.9900 .6112 .1452 .4769 .6934 .6032 .3212 31 VAL 31 -.2793 999.9900 .1416 999.9900 -.5257 -.2211 .6492 .6388 .6431 .1249 32 SER 32 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .4721 .5289 .5053 .4285 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.1129 .2118 .5792 .6643 .6288 .4168 34 LEU 34 1.1349 .3419 999.9900 999.9900 .4227 .6332 .3291 .2993 .3117 .5056 35 LYS 35 1.2214 .8596 999.9900 -.4035 -.0430 .2462 .4286 .6272 .5444 .3267 36 GLU 36 .8604 .5701 999.9900 -1.0323 1.0761 .3686 .3430 .6007 .4933 .4030 37 THR 37 .9379 999.9900 1.0667 999.9900 .7246 .9097 .3594 .4503 .4124 .7078 38 VAL 38 .5660 999.9900 -1.0788 999.9900 -.3121 -.2750 .4579 .2547 .3394 -.0225 39 ILE 39 1.0115 .2838 999.9900 999.9900 .5300 .6084 .4845 .5651 .5315 .5750 40 SER 40 .8651 999.9900 .3727 999.9900 .1994 .4791 .5816 .6422 .6169 .5322 41 GLU 41 .6833 .4305 999.9900 -1.0323 .3899 .1178 .2470 .4804 .3832 .1998 42 TRP 42 -.3273 .2782 999.9900 999.9900 -1.6678 -.5723 .1347 -.3323 -.1377 -.3829 43 PRO 43 -2.0489 999.9900 999.9900 999.9900 -.8366 -1.4428 .4462 .4277 .4354 -.5029 44 ARG 44 .8469 .7158 999.9900 .5548 -.2445 .4856 .6259 .3150 .4445 .4812 45 GLU 45 -.1289 -2.8418 999.9900 -1.0323 .2491 -.9385 .1609 .3338 .2617 -.5432 46 LYS 46 -3.5196 -2.9005 999.9900 1.1681 .1791 -.7810 .0958 -.7725 -.4107 -.6545 47 GLU 47 -.8826 -.3402 999.9900 -1.0323 .2101 -.5113 -.1841 .3931 .1526 -.3060 48 ASN 48 -.7903 -2.0766 999.9900 999.9900 .3587 -.8361 -.9069 -.5174 -.6797 -.7865 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 -.2133 -.8456 -.3696 .0355 -.1446 -.5063 50 PRO 50 -5.1268 999.9900 999.9900 999.9900 -2.3298 -3.7283 -.8986 -.7367 -.8042 -2.2730 51 LYS 51 -2.1934 .4914 999.9900 .6906 .4783 .0315 -1.7413 -1.8041 -1.7780 -.4840 52 THR 52 -.1311 999.9900 -.8810 999.9900 -2.0584 -1.0235 -.3693 .0892 -.1019 -.6701 53 VAL 53 .7260 999.9900 .7395 999.9900 -2.9040 -.4795 .1659 .5776 .4061 -.1390 54 LYS 54 1.2214 1.1488 999.9900 .5131 -1.6664 .3460 .0221 .5242 .3150 .3252 55 GLU 55 -1.4021 -.9977 999.9900 -1.0323 -.6780 -1.0275 .3316 .2601 .2899 -.5864 56 VAL 56 .0482 999.9900 .1416 999.9900 .5258 .2386 .5592 .4056 .4696 .3361 57 LYS 57 -.3286 -1.6955 999.9900 .6506 -.6710 -.2788 .4598 -.1406 .1095 -.1535 58 LEU 58 -.0792 -2.1315 999.9900 999.9900 .6926 -.5060 .1037 .2763 .2044 -.2276 59 ILE 59 .0187 .6227 999.9900 999.9900 1.0081 .5498 .1612 .6656 .4554 .4953 60 SER 60 -.3484 999.9900 -.0289 999.9900 .7781 .1336 .2286 .5692 .4273 .2397 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .4012 -.9040 .3119 .3593 .3396 -.2842 62 GLY 62 1.0314 999.9900 999.9900 999.9900 .4101 .7207 .4254 .6961 .5758 .6407 63 LYS 63 -.1665 -1.5020 999.9900 .6133 -.2082 -.1300 -.2581 .5325 .2031 -.0537 64 VAL 64 -.4192 999.9900 -1.0788 999.9900 .6503 -.2825 -.4288 .4549 .0867 -.1643 65 LEU 65 -.1836 -1.8410 999.9900 999.9900 -.6084 -.8777 .2197 .6702 .4825 -.3486 66 GLU 66 -.3103 -.8169 999.9900 -1.0323 -1.2865 -.8615 .5824 .5233 .5479 -.3900 67 ASN 67 1.1678 .3924 999.9900 999.9900 -.7214 .2796 .1580 .3513 .2708 .2696 68 SER 68 -.3100 999.9900 -.7153 999.9900 .3088 -.2388 .4913 .6084 .5596 .0766 69 LYS 69 -.7069 .3679 999.9900 -.4035 -2.6618 -.7616 -.7015 .5000 -.0006 -.5728 70 THR 70 -.4146 999.9900 -.8810 999.9900 -.6102 -.6353 -.3805 .2505 -.0124 -.4072 71 VAL 71 1.0462 999.9900 .7395 999.9900 .2144 .6667 .5841 .5372 .5567 .6243 72 LYS 72 1.0838 .4325 999.9900 -.4035 -.8987 -.0379 .6000 .5316 .5601 .1346 73 ASP 73 1.3227 -2.8653 999.9900 999.9900 -.1266 -.5564 .5071 .6078 .5658 -.1109 74 TYR 74 -.3674 -2.9749 999.9900 999.9900 .6984 -.8813 .4642 .6326 .5624 -.3094 75 ARG 75 -.5855 -.7463 999.9900 .1593 .4407 -.1145 .1027 .0464 .0698 -.0605 76 SER 76 .1050 999.9900 -.7153 999.9900 .6931 .0276 .0027 .4035 .2365 .0978 77 PRO 77 .1514 999.9900 999.9900 999.9900 .7281 .4397 .5365 .2808 .3873 .4242 78 VAL 78 -4.3409 999.9900 .8055 999.9900 .1378 -1.1326 .4574 .0226 .2037 -.5835 79 SER 79 -3.7598 999.9900 -.0289 999.9900 .9098 -.9596 .3920 .1492 .2503 -.4675 80 ASN 80 -.4415 -.1757 999.9900 999.9900 .6605 .0144 .3640 .4287 .4018 .1672 81 LEU 81 -.5702 .8730 999.9900 999.9900 .9565 .4197 -2.5502 .3890 -.8357 -.1804 82 ALA 82 -2.2766 999.9900 999.9900 999.9900 -.7624 -1.5195 -.0920 .0745 .0052 -.7641 83 GLY 83 .8874 999.9900 999.9900 999.9900 .4101 .6487 .1902 .5181 .3724 .5014 84 ALA 84 -.8393 999.9900 999.9900 999.9900 .8018 -.0188 -.1457 .6360 .3103 .1132 85 VAL 85 -.2674 999.9900 .5873 999.9900 .5258 .2819 -.6609 .6188 .0856 .1608 86 THR 86 .4909 999.9900 .7650 999.9900 .1092 .4550 -.3739 .4489 .1060 .2880 87 THR 87 .1937 999.9900 .0483 999.9900 .5164 .2528 .1053 .4193 .2884 .2566 88 MET 88 -.1902 -.2892 999.9900 .9587 .7725 .3130 -.1139 .0404 -.0239 .1964 89 HIS 89 -.2950 .4588 999.9900 999.9900 .2322 .1320 -1.1565 .5430 -.1651 -.0435 90 VAL 90 .3116 999.9900 .4980 999.9900 -.1376 .2240 -1.9193 .4357 -.5455 -.1623 91 ILE 91 -.0022 -1.6252 999.9900 999.9900 -2.8566 -1.4947 -.4888 .2512 -.0571 -.9443 92 ILE 92 .4877 -.0177 999.9900 999.9900 -2.8566 -.7955 .1045 .3957 .2744 -.3773 93 GLN 93 -.3535 .9979 999.9900 1.3059 -2.2865 -.0840 -1.4801 -.2170 -.7433 -.3389 94 ALA 94 -1.4499 999.9900 999.9900 999.9900 -.0105 -.7302 .1014 .1700 .1414 -.2973 95 PRO 95 .1879 999.9900 999.9900 999.9900 .2989 .2434 .3735 .6165 .5152 .3692 96 VAL 96 -4.3409 999.9900 .3968 999.9900 .6025 -1.1139 -.7370 .0694 -.2666 -.8019 97 THR 97 -4.2065 999.9900 .9776 999.9900 -2.7258 -1.9849 -.4675 -.5708 -.5278 -1.3986 98 GLU 98 -.6642 .8332 999.9900 -1.0323 -2.5035 -.8417 -.5551 .2595 -.0799 -.6104 99 LYS 99 -2.1024 .8340 999.9900 1.4536 -2.6618 -.2046 -.5909 -.9125 -.7785 -.3609 100 GLU 100 -.4497 1.1195 999.9900 -1.0323 .7127 .0875 -.0456 .2705 .1388 .0958 101 LYS 101 999.9900 .8340 999.9900 .4778 999.9900 .5965 -.1196 -.2555 -.1973 .2829 Means: -.4698 -.2920 .0012 .0241 -.1806 -.2447 .0086 .2846 .1692 -.0942 2.00 refined_6