1 MET 1 999.9900 .8879 999.9900 .9587 -.3043 .5141 .3764 .6194 .5089 .5076 2 ALA 2 -.6970 999.9900 999.9900 999.9900 -1.8670 -1.2820 .5478 .5467 .5472 -.3673 3 ASP 3 -1.9993 -.9533 999.9900 999.9900 .5431 -.8032 .1659 -.3395 -.1289 -.5166 4 THR 4 .0466 999.9900 .2916 999.9900 .4476 .2619 -.3475 .4713 .1301 .1819 5 GLY 5 -.5999 999.9900 999.9900 999.9900 .5943 -.0028 -.6379 .3889 -.0674 -.0636 6 GLU 6 -1.5287 .8332 999.9900 .3501 .6424 .0743 .3202 .2505 .2795 .1446 7 VAL 7 -.7345 999.9900 .6672 999.9900 -1.5772 -.5482 -2.2859 .3744 -.7341 -.7112 8 GLN 8 -.6340 -.2368 999.9900 1.3059 -.9446 -.1274 -.5133 .4024 .0208 -.1034 9 PHE 9 -.0559 .4845 999.9900 999.9900 .7573 .3953 .3469 .4712 .4194 .4008 10 MET 10 -.0824 -.2135 999.9900 .9587 -1.9874 -.3312 .3917 .5629 .4916 -.0617 11 LYS 11 -.7523 -2.9005 999.9900 .2495 -2.0338 -1.0375 .2727 -.5315 -.1964 -.7781 12 PRO 12 .0120 999.9900 999.9900 999.9900 -.1935 -.0907 -.7347 .2357 -.1686 -.1701 13 PHE 13 -.2770 -.3506 999.9900 999.9900 -.9498 -.5258 .4301 .4447 .4386 -.1405 14 ILE 14 -.1621 .6227 999.9900 999.9900 -2.8566 -.7987 .3130 .4425 .3885 -.3281 15 SER 15 .9506 999.9900 -.7153 999.9900 .6235 .2863 .4867 .5705 .5356 .3832 16 GLU 16 1.0761 .8793 999.9900 .3501 .0814 .5967 .6381 .5919 .6112 .6028 17 LYS 17 -.4760 .8340 999.9900 .3240 -.1497 .1713 .1983 .3811 .3049 .2051 18 SER 18 -.5255 999.9900 -.7153 999.9900 -2.5979 -1.2796 .0011 .2044 .1196 -.7267 19 SER 19 .7489 999.9900 .3727 999.9900 -.1244 .3324 .6494 .5516 .5923 .4396 20 LYS 20 -3.5196 .1550 999.9900 .5761 -1.0384 -.6502 .4993 .5852 .5494 -.3095 21 SER 21 -.3025 999.9900 -.0289 999.9900 .8558 .1748 .3382 .5743 .4759 .2874 22 LEU 22 -.3571 -2.3037 999.9900 999.9900 -.1229 -.9279 -.1661 .2412 .0715 -.5417 23 GLU 23 -.4325 -.3402 999.9900 -1.0323 .3899 -.3538 -.0967 .5511 .2812 -.1601 24 ILE 24 -.1408 -.0177 999.9900 999.9900 -1.0155 -.3914 .3034 .2536 .2744 -.1234 25 PRO 25 .4049 999.9900 999.9900 999.9900 .9143 .6596 .6020 .4018 .4852 .5807 26 LEU 26 .8475 .5315 999.9900 999.9900 -.0308 .4494 .6628 .6125 .6335 .5247 27 GLY 27 1.2494 999.9900 999.9900 999.9900 .0351 .6423 .5596 .6493 .6094 .6233 28 PHE 28 -.0970 .0967 999.9900 999.9900 -.3041 -.1015 .5654 .2876 .4034 .1097 29 ASN 29 .9642 .2165 999.9900 999.9900 .8607 .6805 .5618 .4817 .5151 .6170 30 GLU 30 .6833 .6046 999.9900 -1.0323 -.6780 -.1056 .5860 .2831 .4093 .0745 31 TYR 31 .6431 .2884 999.9900 999.9900 -.1498 .2606 .6757 .4888 .5667 .3892 32 PHE 32 -2.7602 -.0709 999.9900 999.9900 -2.2412 -1.6907 -.2038 -.2180 -.2121 -1.0988 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 -3.3262 .1239 -1.3136 -1.0816 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -.9190 -.6811 .1306 .0922 .1082 -.2849 35 PRO 35 .3725 999.9900 999.9900 999.9900 -2.3298 -.9787 -.0037 .0838 .0473 -.4693 36 PHE 36 -1.3242 .1164 999.9900 999.9900 .6382 -.1898 -.2862 .4593 .1487 -.0793 37 PRO 37 -.7236 999.9900 999.9900 999.9900 .4949 -.1143 -.9138 .5976 -.0322 -.1362 38 ILE 38 -.4094 -.0177 999.9900 999.9900 -.7199 -.3824 .2713 .3524 .3186 -.1047 39 THR 39 .3976 999.9900 .2916 999.9900 .7246 .4713 -.7612 .4937 -.0292 .2292 40 VAL 40 -.3161 999.9900 .7395 999.9900 .7810 .4015 -1.1727 -.1851 -.5966 -.0307 41 ASP 41 -.5526 -.3623 999.9900 999.9900 .0375 -.2925 -.7106 .4879 -.0115 -.2200 42 LEU 42 -.0536 .8730 999.9900 999.9900 -.6084 .0704 -.6364 .4362 -.0107 .0022 43 LEU 43 .0762 -2.1315 999.9900 999.9900 .1683 -.6290 -.7026 .5776 .0442 -.4024 44 ASP 44 -.6569 -1.7105 999.9900 999.9900 .4469 -.6402 .3918 .3743 .3816 -.2309 45 TYR 45 .6101 -.9448 999.9900 999.9900 -.4027 -.2458 .5143 .0768 .2591 -.0293 46 SER 46 .2458 999.9900 -.7153 999.9900 .1994 -.0900 .4568 .6392 .5632 .1652 47 GLY 47 -.2363 999.9900 999.9900 999.9900 .2782 .0210 .3034 .7039 .5259 .2623 48 ARG 48 -.6502 1.0644 999.9900 .1593 .4837 .2433 .2328 .6820 .4949 .3045 49 SER 49 -1.0548 999.9900 .3727 999.9900 .3425 -.1132 -.0168 .6535 .3742 .0594 50 TRP 50 .1337 -1.0414 999.9900 999.9900 -.1614 -.3564 -.0520 .5307 .2879 -.1181 51 THR 51 -.5830 999.9900 1.1473 999.9900 .0022 .1888 -.8299 .4799 -.0659 .0433 52 VAL 52 -.8595 999.9900 -.0276 999.9900 .2505 -.2122 -.4535 .5505 .1322 -.1079 53 ARG 53 -.4063 .5439 999.9900 .7862 .0662 .3552 -.1568 .5965 .2826 .3165 54 MET 54 -.2651 .5321 999.9900 .9587 .0476 .3183 -1.0330 .4477 -.1692 .1147 55 LYS 55 -.3099 .0381 999.9900 .8634 -2.0338 -.1158 -.6350 .4671 .0079 -.1067 56 LYS 56 -.7069 .2033 999.9900 .3240 -2.6618 -.5034 -2.0052 -.2136 -.9601 -.6766 57 ARG 57 -1.5415 .8024 999.9900 1.2696 -1.0907 .1419 .3239 .5002 .4268 .2191 58 GLY 58 -3.4864 999.9900 999.9900 999.9900 -1.2432 -2.3648 -.3223 -.2016 -.2553 -1.3134 59 GLU 59 -.6897 .6231 999.9900 -1.0323 -2.5035 -.9006 .1091 .3857 .2705 -.5179 60 LYS 60 -1.2734 .8596 999.9900 .9312 .2547 .3407 .2491 .3042 .2812 .3224 61 VAL 61 .5332 999.9900 .3968 999.9900 .1378 .3559 -.1202 .6033 .3018 .3101 62 PHE 62 .0900 .8396 999.9900 999.9900 -2.2412 -.4372 -1.1129 .6204 -.1018 -.3608 63 LEU 63 -.8349 -1.4036 999.9900 999.9900 -1.8015 -1.3466 -.3634 -.4597 -.4196 -.9726 64 THR 64 -4.2065 999.9900 .4804 999.9900 -1.3910 -1.7057 .2383 .3234 .2879 -.9111 65 VAL 65 -.6207 999.9900 -.2457 999.9900 -.6089 -.4918 -.0437 .4304 .2329 -.2177 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -.3452 -.8651 -.2703 .5514 .1862 -.3623 67 TRP 67 .4280 .5502 999.9900 999.9900 .8342 .6042 -.3579 .5185 .1533 .3946 68 GLU 68 .8733 -.3402 999.9900 1.1588 .3899 .5204 .1590 .5708 .3992 .4686 69 ASN 69 .9310 -1.3461 999.9900 999.9900 .3587 -.0188 -.2823 .4802 .1625 .0283 70 PHE 70 -.0803 -.4798 999.9900 999.9900 .0736 -.1622 .4794 .0024 .2012 -.0009 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .5258 .1435 .0445 .6005 .3688 .2151 72 LYS 72 .6780 .2165 999.9900 -.4035 -.6710 -.1167 .5853 .4165 .4869 .0598 73 ASP 73 .9921 -.7325 999.9900 999.9900 .2628 .1741 .1460 .3936 .2904 .2124 74 ASN 74 -.1320 -1.0869 999.9900 999.9900 -2.3288 -1.1826 .4412 .4886 .4688 -.5236 75 ASN 75 -2.5793 -1.4522 999.9900 999.9900 -.7214 -1.5843 -.1561 .0420 -.0405 -.9734 76 LEU 76 -.7369 -2.4128 999.9900 999.9900 -.8739 -1.3412 .0248 -.1155 -.0571 -.8229 77 GLU 77 -2.1524 -.4402 999.9900 -1.0323 .5390 -.7715 .5631 .4863 .5183 -.3394 78 ASP 78 -.6028 -1.0518 999.9900 999.9900 -1.8780 -1.1776 -.0366 .4238 .2320 -.6291 79 GLY 79 -1.2283 999.9900 999.9900 999.9900 -.2133 -.7208 .0831 .2303 .1649 -.2820 80 LYS 80 -.5681 .6560 999.9900 .5131 -1.2036 -.0179 .0452 .2507 .1651 .0295 81 TYR 81 .6244 -.1547 999.9900 999.9900 .2066 .2254 -.8589 .5253 -.0515 .0685 82 LEU 82 .0291 -1.9410 999.9900 999.9900 .4774 -.4782 -1.3315 .2546 -.4062 -.5023 83 GLN 83 -.4544 .4660 999.9900 1.3059 .2680 .3964 -.8156 .5409 -.0243 .2185 84 PHE 84 .0058 .8190 999.9900 999.9900 -.5721 .0842 -1.5069 .3335 -.4333 -.1841 85 ILE 85 -.0022 .2838 999.9900 999.9900 .0546 .1121 -.2920 .4052 .1147 .0899 86 TYR 86 .0686 -.6481 999.9900 999.9900 .0463 -.1777 .4088 -.0073 .1661 -.0263 87 ASP 87 -.1859 -1.5978 999.9900 999.9900 -1.8780 -1.2205 .4346 .0470 .2085 -.6360 88 ARG 88 -2.9267 -2.8571 999.9900 .5548 -.0761 -.9501 -.1464 -.8968 -.5841 -.8276 89 ASP 89 -2.8635 -.7325 999.9900 999.9900 .4469 -1.0497 -.8758 -.4039 -.6005 -.8858 90 ARG 90 -1.4318 -.2334 999.9900 .1593 .9385 -.0816 .3040 .6192 .4879 .0736 91 THR 91 .0102 999.9900 -.2947 999.9900 -.2561 -.1802 -.2335 .4808 .1831 -.0587 92 PHE 92 .0900 -.5318 999.9900 999.9900 .7193 .0925 -.7488 .5580 .0135 .0173 93 TYR 93 .0686 .4149 999.9900 999.9900 -.7591 -.0918 .2599 .5087 .4050 .0986 94 VAL 94 .3372 999.9900 -1.0788 999.9900 -.8010 -.5142 .0876 .5657 .3665 -.1778 95 ILE 95 .5210 .6227 999.9900 999.9900 -.8571 .0955 .2780 .2867 .2831 .1703 96 ILE 96 .4877 .4983 999.9900 999.9900 .2717 .4193 -.3390 .6139 .2169 .3065 97 TYR 97 -.1387 -.6481 999.9900 999.9900 -1.9776 -.9215 -.6506 .2368 -.1330 -.6357 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -1.3818 -2.4341 -.2626 .4008 .1059 -1.1825 99 HIS 99 -.1228 -.7214 999.9900 999.9900 .5185 -.1086 .3193 .6363 .5042 .1260 100 ASN 100 -.5477 .2165 999.9900 999.9900 .3127 -.0062 .1098 .6093 .4012 .1401 101 MET 101 -.8637 .5321 999.9900 .9587 .9122 .3848 .0458 .5408 .3345 .3543 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .3103 .1665 .2281 .4466 Means: -.4434 -.2348 .0380 .4305 -.3844 -.2495 -.1096 .3547 .1604 -.1064 2.00 refined_5