1 MET 1 999.9900 .5321 999.9900 .9587 .0476 .5128 .1566 .5357 .3634 .4461 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 .6390 -.6589 -.1079 .6084 .3100 -.2043 3 ASP 3 -.1512 -.9083 999.9900 999.9900 .4469 -.2042 -.1692 .6127 .2869 -.0338 4 THR 4 -3.2663 999.9900 .2916 999.9900 -1.0006 -1.3251 .3855 .6071 .5147 -.5966 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 -2.9933 -2.5754 -.7090 .4501 -.0650 -1.3524 6 GLU 6 -.3890 .6046 999.9900 .3501 -1.8950 -.3323 .4388 .3674 .3971 -.0872 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .8960 -.0763 -.1662 .2705 .0885 -.0250 8 GLN 8 -.3854 -1.6169 999.9900 1.3059 -.0576 -.1885 -.8999 .5698 -.0426 -.1807 9 PHE 9 .1414 .1164 999.9900 999.9900 .8956 .3845 -.5944 .5214 .0565 .2161 10 MET 10 -.3815 -.2135 999.9900 .9587 .3104 .1685 -.2198 .5920 .2538 .1744 11 LYS 11 -.5771 -.3555 999.9900 .4411 -.3378 -.0776 .3835 .4491 .4218 .0635 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .6188 -.0524 -.3622 .5118 .1476 .0112 13 PHE 13 .0900 .5510 999.9900 999.9900 .5949 .4119 -.4198 .4351 .0789 .2502 14 ILE 14 -.3251 .6227 999.9900 999.9900 -2.1444 -.6156 -.4164 .4302 .0774 -.3666 15 SER 15 .8349 999.9900 .3727 999.9900 -.0193 .3961 .5938 .3743 .4657 .4313 16 GLU 16 .8733 .6046 999.9900 .3501 .0339 .4655 .6368 .6182 .6260 .5195 17 LYS 17 -.8267 -2.1617 999.9900 1.4618 .6805 .1231 -.0048 .3535 .2042 .1378 18 SER 18 .8760 999.9900 .8786 999.9900 .5991 .7846 .1250 .3677 .2666 .5693 19 SER 19 .6980 999.9900 .8786 999.9900 -.0193 .5191 .4975 .5806 .5460 .5271 20 LYS 20 -2.5748 -.2695 999.9900 .8634 -.1497 -.2535 .3803 .3411 .3574 -.0780 21 SER 21 -.6802 999.9900 -.0289 999.9900 -.0703 -.2598 .3289 .6018 .4881 .0303 22 LEU 22 -.2787 -1.4036 999.9900 999.9900 .3648 -.4392 .0439 .3882 .2447 -.1771 23 GLU 23 -.8365 -.6022 999.9900 -1.0323 .3899 -.5203 .2418 .6341 .4706 -.2009 24 ILE 24 .0718 .6227 999.9900 999.9900 .3195 .3380 .4195 .4834 .4568 .3834 25 PRO 25 .5449 999.9900 999.9900 999.9900 -.6674 -.0613 .5266 .2474 .3637 .1629 26 LEU 26 .8786 -1.6805 999.9900 999.9900 .3648 -.1457 .4178 .3748 .3927 .0711 27 GLY 27 .9829 999.9900 999.9900 999.9900 .6270 .8049 .4234 .6341 .5404 .6668 28 PHE 28 -.5116 .9147 999.9900 999.9900 .0736 .1589 .4291 .4967 .4686 .2805 29 ASN 29 1.1678 .2165 999.9900 999.9900 .3587 .5810 .4868 .5056 .4978 .5471 30 GLU 30 -.2702 1.1195 999.9900 -1.0323 .6424 .1148 .5315 .6289 .5883 .2700 31 TYR 31 -.2520 .4830 999.9900 999.9900 .7784 .3365 .2481 .4712 .3782 .3457 32 PHE 32 -1.1107 -.3506 999.9900 999.9900 1.0159 -.1484 .3013 .0749 .1692 -.0138 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .4021 .0708 .4626 .3356 .3885 .2349 34 ALA 34 -2.5451 999.9900 999.9900 999.9900 .7881 -.8785 .6511 -.0036 .2692 -.2774 35 PRO 35 -3.5209 999.9900 999.9900 999.9900 -.6674 -2.0941 .2724 .4589 .3812 -.8643 36 PHE 36 -1.1755 .5389 999.9900 999.9900 -.0075 -.2147 .2924 .3371 .3185 -.0029 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4021 .4109 .2719 .6365 .4846 .4326 38 ILE 38 -3.6908 -.0177 999.9900 999.9900 .2717 -1.1456 .0250 .3145 .1939 -.6195 39 THR 39 .0347 999.9900 -.8810 999.9900 .5490 -.0991 -.7209 .2810 -.1364 -.1474 40 VAL 40 -.3288 999.9900 -1.0788 999.9900 -.1376 -.5150 -.8194 .0650 -.3035 -.4599 41 ASP 41 -.4836 -2.4630 999.9900 999.9900 .7866 -.7200 -.1819 .5092 .2212 -.3665 42 LEU 42 -.0536 -1.8410 999.9900 999.9900 .7753 -.3731 -.3703 .5123 .1445 -.1955 43 LEU 43 -.3896 -1.4262 999.9900 999.9900 -.0758 -.6305 -1.7516 .5090 -.4329 -.6268 44 ASP 44 -1.0941 -.5059 999.9900 999.9900 .8104 -.2632 .3553 .2081 .2694 -.0453 45 TYR 45 .3981 .2884 999.9900 999.9900 .4594 .3820 .4726 .5916 .5420 .4420 46 SER 46 .4533 999.9900 -.7153 999.9900 .7781 .1720 .3236 .5206 .4385 .2720 47 GLY 47 .4052 999.9900 999.9900 999.9900 .5943 .4997 .4004 .6812 .5564 .5203 48 ARG 48 -.5270 -.2334 999.9900 .1593 -.0022 -.0888 .2862 .3032 .2961 .0208 49 SER 49 -.2734 999.9900 .6576 999.9900 .6705 .3516 .4857 .6137 .5604 .4308 50 TRP 50 .0682 -1.4740 999.9900 999.9900 -.4740 -.6266 -.8709 .1690 -.2643 -.5163 51 THR 51 -1.0713 999.9900 .2916 999.9900 -.8522 -.5439 .2400 .3429 .3000 -.2098 52 VAL 52 .0815 999.9900 .4980 999.9900 .3827 .3207 .1016 .6086 .3974 .3345 53 ARG 53 -.4063 .7037 999.9900 .6901 -1.7309 -.0107 -.2014 .5311 .2259 .0395 54 MET 54 -.2651 .2906 999.9900 .9587 .4206 .3512 .0874 .6771 .4314 .3616 55 LYS 55 -.1665 1.1634 999.9900 .3546 -2.6618 -.1911 .3305 .4118 .3779 -.0305 56 LYS 56 -.7069 1.2989 999.9900 .1140 .1791 .1998 -2.5982 -.1079 -1.1455 -.2438 57 ARG 57 -1.4842 .8949 999.9900 .1593 .2983 .0055 -.6042 .2250 -.1205 -.0502 58 GLY 58 -.5278 999.9900 999.9900 999.9900 -.2990 -.4134 -.1989 .6817 .2903 -.0860 59 GLU 59 -.6726 1.1195 999.9900 -1.0323 -1.0906 -.4190 .5094 .5962 .5600 -.0951 60 LYS 60 -.2799 .8340 999.9900 -.4035 -.3378 -.1181 .5238 .5997 .5681 .0761 61 VAL 61 -.9687 999.9900 -1.0788 999.9900 .2853 -.5874 -.5529 .4160 .0123 -.3798 62 PHE 62 -.1586 .1033 999.9900 999.9900 -2.2412 -.7655 -.7419 .5428 .0075 -.4991 63 LEU 63 -.2787 .8730 999.9900 999.9900 -1.0998 -.1685 .3569 .3738 .3668 .0450 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .7246 -1.1409 .5394 .4709 .4994 -.4825 65 VAL 65 -.4192 999.9900 -1.0788 999.9900 -.6089 -.7023 .0798 .3193 .2195 -.3416 66 GLY 66 -.6631 999.9900 999.9900 999.9900 -1.1231 -.8931 -.0593 .4722 .2360 -.3433 67 TRP 67 .1793 .0052 999.9900 999.9900 .2792 .1545 .0319 .5444 .3308 .2080 68 GLU 68 .3258 -.9977 999.9900 1.1588 -.3984 .0221 .1220 -.1896 -.0598 .0035 69 ASN 69 1.0488 -1.3461 999.9900 999.9900 -.2632 -.1868 -.3466 .2595 .0069 -.1295 70 PHE 70 .6259 -3.6820 999.9900 999.9900 -.0075 -1.0212 .3518 .2227 .2765 -.4978 71 VAL 71 .8065 999.9900 -1.0788 999.9900 .6734 .1337 -.6240 .5602 .0668 .0675 72 LYS 72 .6780 .2165 999.9900 .4778 -1.2036 .1293 .5756 .6139 .5979 .2623 73 ASP 73 .9921 -.4551 999.9900 999.9900 -.4783 .0196 .4730 .3566 .4051 .1777 74 ASN 74 -.0480 -.2921 999.9900 999.9900 .4442 .0347 .1483 .2547 .2104 .1014 75 ASN 75 -2.5793 -1.7113 999.9900 999.9900 -.5831 -1.6246 .0887 .1534 .1265 -.9263 76 LEU 76 -2.2364 -1.6462 999.9900 999.9900 .2381 -1.2148 -1.0043 -.1022 -.4781 -.9502 77 GLU 77 -.9196 .7809 999.9900 -1.0323 -1.0906 -.5654 -.2234 .3974 .1388 -.3479 78 ASP 78 -.1718 -3.7306 999.9900 999.9900 -.3226 -1.4083 .5344 .4754 .5000 -.6430 79 GLY 79 -.2363 999.9900 999.9900 999.9900 .4101 .0869 -.5974 .6413 .0908 .0544 80 LYS 80 -.3038 .7299 999.9900 -.0397 -2.0338 -.3374 .3825 .1744 .2611 -.1615 81 TYR 81 .4043 .5297 999.9900 999.9900 .5127 .4822 -.9629 .4565 -.1349 .1881 82 LEU 82 -.5757 -3.3760 999.9900 999.9900 .2381 -1.2379 -.9877 .0940 -.3567 -.9215 83 GLN 83 -.1966 .6816 999.9900 1.3059 .3348 .5314 -.2638 .5137 .1897 .3959 84 PHE 84 -.2457 -.0090 999.9900 999.9900 -.0075 -.0874 -.4639 .4940 .0949 -.0464 85 ILE 85 .1597 .6227 999.9900 999.9900 -.8571 -.0249 .0667 .3967 .2592 .0777 86 TYR 86 .3730 .7834 999.9900 999.9900 .1301 .4288 -.3702 .5216 .1500 .2876 87 ASP 87 -1.9072 -2.4630 999.9900 999.9900 .6587 -1.2372 .3192 -.4227 -.1136 -.7630 88 ARG 88 -2.9267 -2.8571 999.9900 .1593 .3956 -1.0139 -.1008 -.4355 -.2960 -.8008 89 ASP 89 -2.1057 -1.2611 999.9900 999.9900 -.7687 -1.3785 -1.9483 -1.3361 -1.5912 -1.4840 90 ARG 90 -1.6758 .1897 999.9900 .7862 .7064 .1585 .0294 .3515 .2173 .1676 91 THR 91 .2184 999.9900 .2916 999.9900 -.3332 .0589 -.1782 .4238 .1729 .0845 92 PHE 92 .0900 .1608 999.9900 999.9900 -.3041 -.0178 -.3749 .2679 .0001 -.0321 93 TYR 93 -.1387 .5297 999.9900 999.9900 -.5629 -.0573 .2202 .5145 .3919 .1125 94 VAL 94 .2313 999.9900 -.5532 999.9900 .8960 .1914 -.1579 .6773 .3293 .2187 95 ILE 95 -.2299 -3.0500 999.9900 999.9900 -1.2029 -1.4943 -.3981 .5238 .1397 -.8714 96 ILE 96 -.1408 -.0414 999.9900 999.9900 .1689 -.0044 -.5620 -.0932 -.2885 -.1337 97 TYR 97 -.8310 .8492 999.9900 999.9900 -.1498 -.0439 .2910 .3724 .3385 .1063 98 GLY 98 1.0023 999.9900 999.9900 999.9900 -.0631 .4696 -.5193 .5369 .0675 .2392 99 HIS 99 -.5879 -1.0384 999.9900 999.9900 -1.6368 -1.0877 .0926 .1053 .1000 -.6130 100 ASN 100 -2.8943 .2165 999.9900 999.9900 -2.3288 -1.6689 -.3316 .4010 .0958 -.9875 101 MET 101 -2.2339 .5321 999.9900 .9587 -.1136 -.2142 .2201 -.0785 .0459 -.1192 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .0006 -.6348 -.3625 -.1682 Means: -.5041 -.3501 -.2191 .3750 -.1100 -.2293 -.0488 .3659 .1923 -.0808 2.00 refined_8