1 MET 1 999.9900 -.2892 999.9900 .9587 -.1136 .1853 -.1717 .5263 .2090 .1821 2 THR 2 -1.0713 999.9900 .6346 999.9900 .5164 .0266 -.1787 .5380 .2394 .0878 3 GLU 3 -2.1524 .8332 999.9900 -1.0323 -.5746 -.7315 .1459 .3552 .2680 -.4042 4 VAL 4 -.0523 999.9900 -.5532 999.9900 -1.1891 -.5982 -.4438 .5064 .1105 -.3464 5 TYR 5 .3730 .5339 999.9900 999.9900 .0463 .3177 .4126 .3930 .4012 .3518 6 ASP 6 -.1512 -.9304 999.9900 999.9900 -.4783 -.5200 -1.2721 .2342 -.3934 -.5196 7 LEU 7 -.5127 .8730 999.9900 999.9900 .4227 .2610 -1.2203 .5499 -.1877 .0225 8 GLU 8 -.7635 .7809 999.9900 -1.0323 -.6780 -.4232 -1.0733 .4626 -.1774 -.3839 9 ILE 9 .0718 -.0414 999.9900 999.9900 -.7199 -.2298 -.1404 .6110 .2979 -.0438 10 THR 10 .4132 999.9900 .2916 999.9900 .1586 .2878 -2.2250 .4353 -.6732 -.1853 11 THR 11 .2973 999.9900 .0483 999.9900 -.3332 .0041 -4.3588 .1904 -1.7051 -.8312 12 ASN 12 -.1320 -.8859 999.9900 999.9900 -.0278 -.3486 .4424 .5730 .5186 -.0061 13 ALA 13 -.8167 999.9900 999.9900 999.9900 .5367 -.1400 -.0699 .6637 .3580 .0784 14 THR 14 .0347 999.9900 -.8810 999.9900 -.7236 -.5233 -.8411 .5232 -.0453 -.3776 15 ASP 15 .0473 -.7868 999.9900 999.9900 .6026 -.0457 .1261 .6177 .4129 .1214 16 PHE 16 -.2457 .7639 999.9900 999.9900 .2815 .2666 .3473 .5578 .4701 .3409 17 PRO 17 -1.3581 999.9900 999.9900 999.9900 .4496 -.4543 -.3943 .6255 .2006 -.1693 18 MET 18 -1.0204 .5321 999.9900 .9587 -.8385 -.0920 .2927 .3830 .3454 .0513 19 GLU 19 -.3633 -.5578 999.9900 .3501 -1.2865 -.4644 -.2201 .3531 .1143 -.2874 20 LYS 20 -1.0774 -.8217 999.9900 .2495 -.4892 -.3778 -2.3480 .0439 -.9527 -.5990 21 LYS 21 -.3350 -.9566 999.9900 1.0822 -.4892 .0767 -3.0815 .3621 -1.0728 -.3337 22 TYR 22 .5758 .8463 999.9900 999.9900 .7784 .7335 .2315 .4943 .3848 .5853 23 PRO 23 .6201 999.9900 999.9900 999.9900 .2989 .4595 .4894 .4285 .4539 .4592 24 ALA 24 .5799 999.9900 999.9900 999.9900 .4012 .4906 .0282 .5929 .3576 .4005 25 GLY 25 -.2842 999.9900 999.9900 999.9900 .2782 -.0030 .4078 .6357 .5344 .2594 26 MET 26 -.3063 -.1672 999.9900 .9587 .6113 .2741 -.3096 .6417 .2453 .2381 27 SER 27 -.1428 999.9900 -.0289 999.9900 .3088 .0457 -.2139 .6234 .2745 .1093 28 LEU 28 .6509 -2.7185 999.9900 999.9900 .4504 -.5391 .1875 .2882 .2462 -.2283 29 ASN 29 1.3908 1.2520 999.9900 999.9900 .7518 1.1316 .2301 .3357 .2917 .7921 30 ASP 30 .9921 -1.1062 999.9900 999.9900 .5431 .1430 .5346 .5200 .5261 .2967 31 LEU 31 1.1349 -1.2835 999.9900 999.9900 -.6084 -.2523 .1987 .1385 .1636 -.0840 32 LYS 32 .2857 -2.9005 999.9900 .4778 -.3378 -.3994 -.9558 .3169 -.2134 -.3766 33 LYS 33 .9480 -1.4228 999.9900 -.4035 -1.4057 -.5375 .3605 .5883 .4934 -.2484 34 LYS 34 1.0838 -.6131 999.9900 .1731 -.0430 .1548 .5397 .3837 .4487 .2425 35 LEU 35 .9913 .8847 999.9900 999.9900 .8331 .9030 -.2522 .5578 .2203 .6029 36 GLU 36 .8733 -.0067 999.9900 1.1588 -1.0906 .2337 -.5816 .4996 .0491 .1421 37 LEU 37 .8475 .5315 999.9900 999.9900 .3346 .5712 .5454 .6314 .5955 .5781 38 VAL 38 -1.1682 999.9900 .5873 999.9900 .5258 -.0183 .3495 .6081 .5004 .1805 39 VAL 39 -1.2342 999.9900 .2799 999.9900 .6025 -.1173 .1670 .5931 .4156 .0816 40 GLY 40 1.0529 999.9900 999.9900 999.9900 .4303 .7416 .2254 .6969 .4874 .6014 41 THR 41 -1.3548 999.9900 .0483 999.9900 -.3332 -.5466 .0142 -.0195 -.0055 -.3290 42 THR 42 -.1094 999.9900 .0483 999.9900 -1.3910 -.4840 .3074 .5706 .4609 -.1148 43 VAL 43 .7683 999.9900 .3968 999.9900 .7810 .6487 .3805 .4053 .3949 .5464 44 ASP 44 .9343 -.2599 999.9900 999.9900 .5431 .4058 .3132 .5091 .4275 .4080 45 SER 45 .2458 999.9900 .6576 999.9900 .3425 .4153 -.9411 .2729 -.2329 .1156 46 MET 46 -.9371 -.9517 999.9900 .9587 -1.9874 -.7294 -.0520 .5301 .2875 -.4066 47 ARG 47 -.6502 .4564 999.9900 .1593 -1.7309 -.3212 .6244 .4640 .5308 -.0740 48 ILE 48 .1597 -.0177 999.9900 999.9900 -.2211 -.0264 .5138 .6252 .5788 .2120 49 GLN 49 -.4190 1.1250 999.9900 1.3059 .3348 .5867 -.4364 .5268 .1255 .4062 50 LEU 50 .1006 -1.4036 999.9900 999.9900 -.5333 -.6121 -.7260 .5460 .0160 -.4033 51 PHE 51 .1032 .5589 999.9900 999.9900 .5949 .4190 -.0664 .4948 .2610 .3371 52 ASP 52 -2.3854 -1.2611 999.9900 999.9900 -.1266 -1.2577 .3290 .6154 .4960 -.5657 53 GLY 53 -2.6716 999.9900 999.9900 999.9900 .3466 -1.1625 .3613 .6171 .5034 -.3366 54 ASP 54 -1.7533 -1.4992 999.9900 999.9900 .4469 -.9352 .4618 .1510 .2805 -.4385 55 ASP 55 -.2149 -.5059 999.9900 999.9900 .8104 .0299 .4852 .6073 .5564 .2364 56 GLN 56 -.7555 .6727 999.9900 1.3059 .9038 .5317 .3188 .5750 .4682 .5034 57 LEU 57 -.1479 .5315 999.9900 999.9900 .5293 .3043 .3612 .5815 .4897 .3711 58 LYS 58 .0419 -2.9005 999.9900 1.0822 .5595 -.0269 .3190 .2010 .2502 .0550 59 GLY 59 -.5702 999.9900 999.9900 999.9900 .4101 -.0801 -.4350 .5879 .1333 -.0018 60 GLU 60 -.6163 .8332 999.9900 -1.0323 -1.5390 -.5886 -1.0917 .3879 -.2286 -.5097 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 -.4635 -2.5365 -2.5052 -.8054 -1.5136 -2.1840 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 -.6797 -1.5041 -1.1606 -1.3647 63 ASP 63 -.0991 -1.1646 999.9900 999.9900 .6310 -.2109 -.1936 .2123 .0431 -.1228 64 GLY 64 -.9159 999.9900 999.9900 999.9900 -.2133 -.5646 .2647 .6431 .4750 -.0553 65 ALA 65 -.4579 999.9900 999.9900 999.9900 .8416 .1919 .3963 .5140 .4650 .3235 66 LYS 66 -.3414 -.9566 999.9900 .1731 -.2707 -.2445 .2917 -.2443 -.0210 -.1679 67 SER 67 -.2386 999.9900 -.0289 999.9900 .7982 .1769 -.2851 .6232 .2448 .1738 68 LEU 68 .4996 .8730 999.9900 999.9900 .2713 .5480 .3713 .6291 .5217 .5289 69 LYS 69 .8536 .7568 999.9900 -.4035 -.2082 .1190 -.0449 .6140 .3394 .1663 70 ASP 70 .9343 -1.0010 999.9900 999.9900 -.1266 -.0644 .4323 .6082 .5349 .1694 71 LEU 71 -.5757 .3561 999.9900 999.9900 .7949 .1918 .2893 .4265 .3693 .2582 72 GLY 72 1.0529 999.9900 999.9900 999.9900 .4101 .7315 .4944 .6761 .5954 .6584 73 VAL 73 -.4842 999.9900 .5873 999.9900 .8960 .3331 -.2965 .4989 .1675 .2403 74 ARG 74 -1.0405 1.0644 999.9900 1.2696 .4837 .6094 -.0146 .6005 .3442 .5189 75 ASP 75 -.1445 -.9304 999.9900 999.9900 .0868 -.3294 -.9325 .5667 -.0580 -.2708 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .4101 .7207 .4987 .6853 .6024 .6564 77 TYR 77 -.6610 -2.6175 999.9900 999.9900 -.2672 -1.1819 -.3218 .5370 .1792 -.6661 78 ARG 78 -.2265 -.1588 999.9900 .1593 .0662 -.0001 -.2481 .0294 -.0862 -.0313 79 ILE 79 .1597 -.0177 999.9900 999.9900 -.3927 -.0836 -2.1828 .4509 -.6465 -.3965 80 HIS 80 -.8113 .6357 999.9900 999.9900 -1.0138 -.3965 -1.2057 .4218 -.2563 -.3946 81 ALA 81 -.7843 999.9900 999.9900 999.9900 .4999 -.1422 -.1444 .5773 .2766 .0371 82 VAL 82 .3372 999.9900 -.0276 999.9900 -.2503 .0198 -1.1016 .4052 -.2226 -.1274 83 ASP 83 -.1512 -.7152 999.9900 999.9900 .5431 -.1077 -.4708 .4633 .0741 -.0661 84 VAL 84 -1.4381 999.9900 -.2457 999.9900 -.6089 -.7642 .0894 .4283 .2871 -.3550 85 THR 85 .1421 999.9900 -.8810 999.9900 -.2561 -.3317 .2125 .5460 .4070 -.0473 86 GLY 86 -.9395 999.9900 999.9900 999.9900 .4101 -.2647 -.0518 .3360 .1637 -.0613 87 GLY 87 -2.0431 999.9900 999.9900 999.9900 -.3938 -1.2185 .3615 .5575 .4704 -.3795 88 ASN 88 -.4415 -2.3357 999.9900 999.9900 .7518 -.6751 .4288 .2494 .3241 -.2694 89 GLU 89 -3.2255 .4305 999.9900 -1.0323 .6899 -.7844 .0040 .3243 .1908 -.4682 90 ASP 90 999.9900 -.3515 999.9900 999.9900 999.9900 -.3515 .1737 .5019 .3612 .1080 Means: -.3198 -.3822 .0029 .3489 .0230 -.1258 -.2268 .4267 .1527 -.0354 2.00 refined_7