1 MET 1 999.9900 -1.7864 999.9900 .9587 -.5376 -.4551 .1180 .4846 .3180 -.1526 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 .5367 -.7790 .0272 .4136 .2526 -.2793 3 ASP 3 -.7005 -1.3328 999.9900 999.9900 .7118 -.4405 .2547 .6179 .4666 -.0898 4 THR 4 -.1023 999.9900 .2916 999.9900 .8957 .3617 .3446 .4611 .4126 .3781 5 GLY 5 -1.9441 999.9900 999.9900 999.9900 -.0631 -1.0036 -1.0658 .6507 -.1122 -.6056 6 GLU 6 -.4325 -.3402 999.9900 -1.0323 -.3984 -.5509 .0322 .6412 .3875 -.2550 7 VAL 7 .0815 999.9900 -.0276 999.9900 -1.1891 -.3784 -.3250 .4206 .1099 -.2079 8 GLN 8 -.4190 -.4838 999.9900 1.3059 -.5521 -.0373 -.2131 .6492 .2899 .0478 9 PHE 9 .1414 .8308 999.9900 999.9900 .5949 .5224 .5707 .5925 .5834 .5461 10 MET 10 -.1025 -.2135 999.9900 .9587 .3104 .2383 .3787 .6021 .5090 .3223 11 LYS 11 -.6340 -.3555 999.9900 -.4035 -2.0338 -.7661 .5976 .5398 .5639 -.3847 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .4949 .1172 -.1642 .4335 .1844 .1259 13 PHE 13 .1032 -.1548 999.9900 999.9900 .2815 .0766 .0888 .6169 .3968 .1871 14 ILE 14 -.0918 -2.2551 999.9900 999.9900 -2.8566 -1.7345 -.1577 .0668 -.0268 -1.0589 15 SER 15 .1386 999.9900 .8786 999.9900 .7982 .6052 .3989 .4846 .4489 .5398 16 GLU 16 .0765 1.1195 999.9900 1.1588 .5390 .7235 .4188 .4594 .4425 .6287 17 LYS 17 -1.1367 -2.1617 999.9900 1.3578 .7460 .0327 .0547 .3781 .2433 .0852 18 SER 18 -.1309 999.9900 1.2119 999.9900 -.7427 .1127 .2756 .6136 .4727 .2455 19 SER 19 .8651 999.9900 .3727 999.9900 .7781 .6720 .2460 .5879 .4454 .5700 20 LYS 20 -2.1934 .0381 999.9900 .3240 -1.2036 -.5422 .3126 .5342 .4419 -.2663 21 SER 21 .1980 999.9900 -.7153 999.9900 -.4586 -.3253 -.5971 .5005 .0432 -.2145 22 LEU 22 -.5127 -1.8410 999.9900 999.9900 .3346 -.6730 .1185 .3822 .2723 -.3037 23 GLU 23 -.3890 -.3402 999.9900 -1.0323 -.1261 -.4719 .4072 .6590 .5541 -.1369 24 ILE 24 .1597 -.0177 999.9900 999.9900 .6034 .2485 .4875 .5566 .5278 .3579 25 PRO 25 .4049 999.9900 999.9900 999.9900 -.6674 -.1313 .6180 .4420 .5153 .1994 26 LEU 26 .0133 .5315 999.9900 999.9900 .4774 .3408 .5456 .5239 .5329 .4184 27 GLY 27 .7440 999.9900 999.9900 999.9900 .6890 .7165 .4474 .5863 .5246 .6167 28 PHE 28 -.5116 -.0090 999.9900 999.9900 .4513 -.0231 .4703 .4619 .4654 .1726 29 ASN 29 1.0488 .2165 999.9900 999.9900 .4442 .5698 .5903 .6810 .6432 .5961 30 GLU 30 .0468 1.0525 999.9900 -1.0323 -1.8950 -.4570 .1986 .4133 .3238 -.2027 31 TYR 31 -.0710 -2.1671 999.9900 999.9900 .3421 -.6320 -.0043 .3330 .1924 -.3135 32 PHE 32 -1.7494 .1164 999.9900 999.9900 -2.2412 -1.2914 -.1562 -.6704 -.4561 -.9401 33 PRO 33 .3725 999.9900 999.9900 999.9900 -1.3105 -.4690 -1.3964 .2138 -.4571 -.5302 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -.9190 -.6811 .4381 .3445 .3835 -.1449 35 PRO 35 .3725 999.9900 999.9900 999.9900 -.4005 -.0140 .3764 .3354 .3525 .1709 36 PHE 36 -.8715 .1164 999.9900 999.9900 .2172 -.1793 -.1281 .4311 .1981 -.0470 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 -.1935 -.6692 -1.2928 .5778 -.2016 -.5133 38 ILE 38 -1.9699 -3.0500 999.9900 999.9900 .3195 -1.5668 -.0903 .4483 .2239 -.8685 39 THR 39 .3976 999.9900 -.8810 999.9900 -.8522 -.4452 .2028 .4559 .3504 -.1354 40 VAL 40 -.3909 999.9900 .9224 999.9900 .6959 .4091 -.1136 -.7041 -.4580 .0819 41 ASP 41 -.9509 -.5192 999.9900 999.9900 .2628 -.4024 .2960 .4055 .3599 -.1011 42 LEU 42 .1006 .8730 999.9900 999.9900 .9565 .6434 -.0494 .5520 .3014 .4865 43 LEU 43 -.1196 -2.1315 999.9900 999.9900 .7139 -.5124 -.4193 .5888 .1687 -.2736 44 ASP 44 -.5526 -1.4542 999.9900 999.9900 -1.8780 -1.2949 .0376 .4737 .2920 -.6747 45 TYR 45 -.3830 .4290 999.9900 999.9900 .3421 .1293 .4271 .0917 .2314 .1814 46 SER 46 -.3484 999.9900 -.7153 999.9900 -.0193 -.3610 .3494 .5291 .4542 -.0409 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .0951 -1.1815 .5276 .6122 .5746 -.3058 48 ARG 48 -1.4842 -2.3766 999.9900 .1593 .2455 -.6593 .0364 .5751 .3507 -.3836 49 SER 49 -.5771 999.9900 .6576 999.9900 .7781 .2862 .2048 .6277 .4515 .3382 50 TRP 50 .1337 -.0877 999.9900 999.9900 .5918 .2126 -.4791 .5793 .1383 .1476 51 THR 51 .2423 999.9900 1.4642 999.9900 -2.0584 -.1173 -.0750 .2667 .1243 -.0320 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 -.5257 -.5396 -.2644 .5648 .2193 -.2637 53 ARG 53 -.5160 1.0858 999.9900 .1593 .3956 .2568 .1840 .5287 .3851 .2853 54 MET 54 -.6343 -1.7864 999.9900 .9587 .3104 -.2879 .0685 .5621 .3564 -.0869 55 LYS 55 -.1765 -2.1617 999.9900 .1140 -.5755 -.5371 .0548 .5027 .3160 -.3040 56 LYS 56 -.8010 .1621 999.9900 -.4035 -.5755 -.4043 -1.4544 -.0033 -.6079 -.4970 57 ARG 57 -.9010 .8024 999.9900 .1593 .9385 .2317 -.2090 .6589 .2973 .2298 58 GLY 58 -1.3851 999.9900 999.9900 999.9900 .7039 -.3406 -.6378 .6830 .0960 -.1590 59 GLU 59 -1.0162 1.1195 999.9900 .3501 .3223 .1939 .3294 .5101 .4348 .2692 60 LYS 60 -.1919 1.2989 999.9900 .1140 .5850 .3840 -.9585 .5900 -.0552 .2217 61 VAL 61 -.0951 999.9900 -1.0788 999.9900 -.8010 -.6583 -1.1886 .4489 -.2334 -.5429 62 PHE 62 -.0244 .1608 999.9900 999.9900 -2.2412 -.7016 -.9768 .5778 -.0699 -.5008 63 LEU 63 -.7582 -1.9980 999.9900 999.9900 -1.8015 -1.5192 -1.2236 -.2978 -.6835 -1.2158 64 THR 64 -4.2065 999.9900 .2916 999.9900 -.3332 -1.4160 .3823 -.0094 .1538 -.7750 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -1.5772 -1.2877 -.6236 .4188 -.0155 -.8136 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.1231 -1.3536 -.0612 .2300 .1006 -.6346 67 TRP 67 .4280 .5502 999.9900 999.9900 .2792 .4191 .2963 .5625 .4516 .4233 68 GLU 68 .8733 .8332 999.9900 .3501 -.1867 .4675 .3481 .5100 .4425 .4547 69 ASN 69 1.1678 -.0024 999.9900 999.9900 .4840 .5498 -.4815 .5689 .1312 .3474 70 PHE 70 -.0803 -1.8165 999.9900 999.9900 -.0075 -.6348 .3357 .3292 .3319 -.2479 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .0811 .5508 .3551 .2761 72 LYS 72 .6751 -.2178 999.9900 1.0171 -2.0338 .0916 .2644 .5194 .4131 .1774 73 ASP 73 .3915 -.2599 999.9900 999.9900 .8336 .3217 .3982 .4521 .4296 .3631 74 ASN 74 -.6931 -.4258 999.9900 999.9900 .5588 -.1867 .6368 .5413 .5811 .1236 75 ASN 75 -2.5793 -1.0148 999.9900 999.9900 .5222 -1.0240 .4026 .2899 .3369 -.4759 76 LEU 76 -.5127 -2.9612 999.9900 999.9900 -.8739 -1.4493 -.5556 -.3861 -.4567 -1.0579 77 GLU 77 -2.1524 -.4402 999.9900 -1.0323 -.9305 -1.1389 .0392 .1166 .0843 -.7333 78 ASP 78 -.7312 -1.7735 999.9900 999.9900 -.1878 -.8975 .0635 .5311 .3363 -.4196 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -1.1231 -1.5336 .4833 .5953 .5455 -.4972 80 LYS 80 -.3038 1.2989 999.9900 -.4035 -.6710 -.0966 .4355 .5012 .4738 .0648 81 TYR 81 .6005 .8258 999.9900 999.9900 -.2672 .3864 -.1872 .6227 .2852 .3189 82 LEU 82 -.3571 -1.9980 999.9900 999.9900 -1.3910 -1.2487 -.3434 .5143 .1569 -.7151 83 GLN 83 -.1803 .4350 999.9900 1.3059 .1188 .4199 -.2486 .3752 .1153 .3010 84 PHE 84 .0058 .1608 999.9900 999.9900 .1482 .1049 -.3600 .6592 .2345 .1228 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .4912 -.7997 .0305 .5026 .3059 -.3732 86 TYR 86 .0686 .7834 999.9900 999.9900 -.7591 .0310 .6389 .5052 .5609 .2474 87 ASP 87 -.0929 -1.7105 999.9900 999.9900 .0868 -.5722 .4408 .5918 .5289 -.1368 88 ARG 88 -2.9267 -2.3766 999.9900 1.0856 -1.3564 -.8977 -.2637 -.6087 -.4649 -.7659 89 ASP 89 -1.2415 -1.0010 999.9900 999.9900 .7866 -.4853 -3.8658 .1188 -1.5415 -1.0406 90 ARG 90 -2.9267 -2.8571 999.9900 .1593 .4837 -.9963 -.0097 .3048 .1738 -.6695 91 THR 91 .0102 999.9900 -.2947 999.9900 -1.0006 -.4284 .0164 .5929 .3527 -.1352 92 PHE 92 -.0803 .5510 999.9900 999.9900 .2172 .2293 -.3737 .3898 .0717 .1408 93 TYR 93 -.0819 .2608 999.9900 999.9900 -.4027 -.0746 -.1713 .4152 .1708 .0040 94 VAL 94 .3116 999.9900 -.2457 999.9900 -.9137 -.2826 .0436 .6605 .4035 -.0287 95 ILE 95 .3543 -1.0451 999.9900 999.9900 -1.0155 -.5688 .0916 .2307 .1727 -.2768 96 ILE 96 .0813 .2838 999.9900 999.9900 -.1449 .0734 .0571 .6272 .3897 .1809 97 TYR 97 -.2386 .8258 999.9900 999.9900 -.1498 .1458 -.3459 .5140 .1557 .1211 98 GLY 98 -2.1575 999.9900 999.9900 999.9900 -.9224 -1.5399 -.9175 .4684 -.1475 -.8822 99 HIS 99 -.0587 -.0777 999.9900 999.9900 .1122 -.0081 .2780 .5031 .4093 .1514 100 ASN 100 -.4092 .1037 999.9900 999.9900 .5940 .0962 .5081 .6523 .5922 .2898 101 MET 101 -1.5488 .5321 999.9900 .9587 .3104 .0631 .4613 .6709 .5836 .2308 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4300 .6314 .5451 .3970 Means: -.4817 -.5022 -.0513 .2834 -.2097 -.2863 -.0367 .4292 .2342 -.1007 2.00 refined_8