1 MET 1 999.9900 -.2135 999.9900 .9587 -1.2625 -.1724 .3936 .4356 .4165 .0624 2 ALA 2 -2.6726 999.9900 999.9900 999.9900 .0212 -1.3257 -.3058 .5325 .1832 -.6062 3 ASP 3 -.8323 -1.2961 999.9900 999.9900 -.1878 -.7721 -.7609 .3977 -.0851 -.5359 4 THR 4 -.1311 999.9900 .7650 999.9900 -1.0006 -.1222 .3102 .3655 .3425 .0618 5 GLY 5 -2.2927 999.9900 999.9900 999.9900 -1.1231 -1.7079 -1.8162 .5592 -.4965 -1.1682 6 GLU 6 -.5578 -.9977 999.9900 -1.0323 -.6780 -.8165 -.4204 .2964 -.0023 -.5650 7 VAL 7 -.6656 999.9900 -.0276 999.9900 .6959 .0009 -.5223 .6536 .1636 .0268 8 GLN 8 -.4424 -1.7668 999.9900 1.3059 -.0576 -.2402 -.8974 .6386 -.0014 -.2033 9 PHE 9 .1414 -.4187 999.9900 999.9900 .4513 .0580 -.4095 .4942 .1177 .0517 10 MET 10 -.1025 -.2135 999.9900 .9587 -.8385 -.0490 .0750 .6139 .3894 .0822 11 LYS 11 -.6340 .7114 999.9900 -.4035 -2.0338 -.5527 .4777 .4170 .4423 -.2670 12 PRO 12 .6201 999.9900 999.9900 999.9900 .4496 .5349 -.0335 .6032 .3379 .4099 13 PHE 13 .0900 -1.8165 999.9900 999.9900 .2172 -.5031 .1746 .1221 .1440 -.2425 14 ILE 14 .3408 -2.2551 999.9900 999.9900 -1.4322 -1.1155 -.0395 .2842 .1493 -.6204 15 SER 15 .5661 999.9900 -.0289 999.9900 .6931 .4101 .6098 .5225 .5588 .4725 16 GLU 16 1.0761 .8332 999.9900 -1.0323 -1.2865 -.1024 .5356 .4838 .5054 .1016 17 LYS 17 -.8267 -1.2293 999.9900 .4411 -2.6618 -.7671 .0349 -.8938 -.5068 -.6706 18 SER 18 .1386 999.9900 .8786 999.9900 .3088 .4420 .4544 .4639 .4600 .4489 19 SER 19 .7489 999.9900 -.0289 999.9900 -.1819 .1794 .4303 .6296 .5465 .3196 20 LYS 20 -3.0472 -1.9682 999.9900 1.1681 .3573 -.4644 .1451 .2233 .1907 -.2791 21 SER 21 .2423 999.9900 .8786 999.9900 -.5437 .1924 -.1062 .5938 .3021 .2130 22 LEU 22 -.1775 -2.0611 999.9900 999.9900 .6926 -.5153 .2373 .0615 .1348 -.2494 23 GLU 23 -.6642 -.7564 999.9900 -1.0323 .3899 -.5158 -.2926 .1870 -.0128 -.3614 24 ILE 24 .0813 .6227 999.9900 999.9900 -.3033 .1336 .4496 .3230 .3758 .2347 25 PRO 25 .3725 999.9900 999.9900 999.9900 -.6674 -.1475 .4752 .5029 .4914 .1708 26 LEU 26 .4996 -1.2835 999.9900 999.9900 .3942 -.1299 .1699 .2912 .2406 .0143 27 GLY 27 .7440 999.9900 999.9900 999.9900 -.1733 .2853 .4117 .6135 .5238 .3990 28 PHE 28 -.7647 .8160 999.9900 999.9900 -.0075 .0146 .5743 .6244 .6035 .2485 29 ASN 29 1.1678 .4888 999.9900 999.9900 .4442 .7003 .3223 .4754 .4116 .5797 30 GLU 30 .3258 .7809 999.9900 -1.0323 1.0761 .2876 .5491 .3930 .4580 .3488 31 TYR 31 -.0083 -.7481 999.9900 999.9900 .5127 -.0812 .4895 .5898 .5480 .1671 32 PHE 32 -1.3662 -.4925 999.9900 999.9900 -2.2412 -1.3666 -.0855 -.5978 -.3843 -.9566 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .6931 -.0153 -2.8681 -.0102 -1.2010 -.7272 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.8670 -1.1551 .4254 .0701 .2181 -.4537 35 PRO 35 .4011 999.9900 999.9900 999.9900 -.8366 -.2177 .3753 .1965 .2710 .0341 36 PHE 36 -.8715 .1164 999.9900 999.9900 .2815 -.1579 .0188 .5149 .3082 .0120 37 PRO 37 -.7236 999.9900 999.9900 999.9900 .7281 .0022 .2853 .6231 .4824 .2282 38 ILE 38 1.0115 -.0177 999.9900 999.9900 .7362 .5766 .2967 .6396 .4967 .5332 39 THR 39 .3976 999.9900 -.2947 999.9900 .6695 .2575 -.1451 .6216 .3021 .2498 40 VAL 40 -.3288 999.9900 .4980 999.9900 .6959 .2884 -.4247 -.0757 -.2211 .0730 41 ASP 41 -.5526 -1.3712 999.9900 999.9900 -.1266 -.6835 .0624 .4980 .3165 -.2980 42 LEU 42 .1006 .8730 999.9900 999.9900 .6486 .5407 -.2776 .3798 .1059 .3449 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 .0933 -.6224 .0277 .3802 .2333 -.2919 44 ASP 44 -1.3478 -.8657 999.9900 999.9900 .6026 -.5370 .5743 .3282 .4307 -.1417 45 TYR 45 1.1722 -.7135 999.9900 999.9900 -.5629 -.0347 .6326 -.2697 .1063 .0517 46 SER 46 .4640 999.9900 -.7153 999.9900 .8922 .2136 .3056 .5466 .4462 .2986 47 GLY 47 .1123 999.9900 999.9900 999.9900 -.5578 -.2227 .0675 .6767 .4060 .0747 48 ARG 48 -.9903 1.0644 999.9900 1.3960 .8581 .7448 -.7913 .1891 -.2194 .4460 49 SER 49 -.0741 999.9900 .8786 999.9900 -.4586 .1153 -.9783 .5643 -.0784 -.0136 50 TRP 50 -.2452 -1.0414 999.9900 999.9900 -.4740 -.5869 -.5395 .5030 .0686 -.3594 51 THR 51 -1.0713 999.9900 .0483 999.9900 .0022 -.3403 -1.1749 .3591 -.2801 -.3673 52 VAL 52 -.3637 999.9900 -.2457 999.9900 .6503 .0136 -.5581 .4676 .0402 -.0099 53 ARG 53 -.4063 -.4762 999.9900 .5548 -.0022 .0450 -.2536 .5392 .2089 .0729 54 MET 54 -.3503 .5321 999.9900 .9587 -.3043 .2091 .3562 .2767 .3098 .2449 55 LYS 55 -.6145 .7568 999.9900 .9443 -.2082 .3645 -.2671 .3713 .1053 .2753 56 LYS 56 -.2858 .2847 999.9900 .2495 .4783 .1953 -2.9631 .4111 -.9948 -.2251 57 ARG 57 -1.4318 -2.8571 999.9900 .5548 -.0022 -.6363 -.4761 .2648 -.0439 -.4847 58 GLY 58 -.5278 999.9900 999.9900 999.9900 -1.1231 -.8255 -.5774 .6467 .1027 -.3954 59 GLU 59 -.4382 -1.0866 999.9900 -1.0323 .6899 -.4668 .2547 .5218 .4105 -.1818 60 LYS 60 -.3038 -2.9005 999.9900 .2868 .6340 -.3994 .3649 .1755 .2545 -.2080 61 VAL 61 -.0346 999.9900 .3968 999.9900 .5258 .2960 -.0477 .3623 .1915 .2405 62 PHE 62 .2013 .3397 999.9900 999.9900 -.4285 .0375 -.2731 .4965 .1758 .0672 63 LEU 63 -.7094 -1.4996 999.9900 999.9900 -.8739 -1.0276 -.7197 -.0877 -.3511 -.7781 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.6680 -2.2518 -.5306 -.0305 -.2389 -1.4633 65 VAL 65 -1.1312 999.9900 -1.0788 999.9900 -2.9040 -1.7046 -1.1622 -.2635 -.6380 -1.3079 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 -1.7465 -1.9520 -.6388 -.7837 -.7193 -1.3316 67 TRP 67 .4280 -.3018 999.9900 999.9900 .4467 .1910 .5448 .4097 .4660 .3055 68 GLU 68 .8604 .6046 999.9900 -1.0323 .5923 .2562 .3820 .6484 .5374 .3426 69 ASN 69 1.1117 -1.3461 999.9900 999.9900 .8079 .1912 .1923 .6424 .4549 .2817 70 PHE 70 .6259 .7639 999.9900 999.9900 -.0962 .4312 .3857 .6361 .5317 .4630 71 VAL 71 .5660 999.9900 -.2457 999.9900 .1768 .1657 -.7757 .3693 -.1078 .0181 72 LYS 72 .6751 .8340 999.9900 1.0171 -2.0338 .3019 .1715 .2426 .2130 .2748 73 ASP 73 .2706 -2.8653 999.9900 999.9900 .5431 -.6839 .4310 .5098 .4769 -.2222 74 ASN 74 -.1320 -1.0869 999.9900 999.9900 .3587 -.2868 .2841 .4072 .3559 -.0338 75 ASN 75 -3.4329 -1.4522 999.9900 999.9900 .5588 -1.4421 -.0971 .3991 .1923 -.8048 76 LEU 76 -.7230 -1.9410 999.9900 999.9900 .2713 -.7975 -.5647 .3157 -.0511 -.5283 77 GLU 77 -1.3743 -.4402 999.9900 -1.0323 -1.0906 -.9843 .2067 .5510 .4075 -.5300 78 ASP 78 -.5899 -1.0518 999.9900 999.9900 .1786 -.4877 .0709 .5444 .3471 -.1696 79 GLY 79 -1.2283 999.9900 999.9900 999.9900 .2782 -.4750 .5566 .6517 .6094 .0646 80 LYS 80 -.5681 1.1488 999.9900 .4405 -2.6618 -.2400 .4985 .3862 .4330 -.0450 81 TYR 81 .5758 .2551 999.9900 999.9900 .5127 .4479 -.7117 .5588 .0294 .2381 82 LEU 82 -.4552 -1.4996 999.9900 999.9900 .4774 -.4925 -.6699 .1460 -.1940 -.4003 83 GLN 83 -.1966 .6816 999.9900 1.3059 .6605 .6129 -1.3353 .3912 -.3281 .2512 84 PHE 84 .0058 .8396 999.9900 999.9900 .2815 .3756 -2.1770 .6152 -.5482 -.0870 85 ILE 85 .1597 .2838 999.9900 999.9900 .4912 .3116 -.8600 .4874 -.0741 .1124 86 TYR 86 -.0287 .7421 999.9900 999.9900 .3421 .3518 -.4876 .5315 .1069 .2199 87 ASP 87 -1.1787 -1.2611 999.9900 999.9900 .0375 -.8008 .1842 .0819 .1245 -.4272 88 ARG 88 -.3457 .1897 999.9900 .1593 -.2445 -.0164 .5045 .3400 .4085 .1089 89 ASP 89 -3.3417 -.7325 999.9900 999.9900 .4469 -1.2091 -1.2002 -.6935 -.9046 -1.1042 90 ARG 90 -1.1245 -.1448 999.9900 .1593 -1.7309 -.5363 -.2198 .2090 .0304 -.3846 91 THR 91 .4171 999.9900 .9776 999.9900 .6112 .6686 .3594 .2943 .3214 .5319 92 PHE 92 .0058 .5589 999.9900 999.9900 -.5721 -.0025 -.1492 .3697 .1535 .0426 93 TYR 93 .0686 -.3674 999.9900 999.9900 -1.0119 -.4369 .4822 .3353 .3965 -.0986 94 VAL 94 .2313 999.9900 .2799 999.9900 -.5257 -.0048 .5208 .6161 .5764 .2245 95 ILE 95 .5210 .6227 999.9900 999.9900 .2717 .4718 -.2784 .5050 .1786 .3284 96 ILE 96 .2593 -1.0451 999.9900 999.9900 .7362 -.0166 -.0164 .5619 .3210 .0992 97 TYR 97 -.4658 .8492 999.9900 999.9900 .7784 .3873 -.5224 .5579 .1078 .2394 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .2296 -1.3713 -.2807 .5513 .1815 -.6180 99 HIS 99 -3.0884 .2773 999.9900 999.9900 .2322 -.8596 -.4392 .0479 -.1551 -.5940 100 ASN 100 -.5865 .2165 999.9900 999.9900 -.4633 -.2778 -.2169 .6602 .2947 -.0780 101 MET 101 -1.2302 .5321 999.9900 .9587 .7725 .2583 -.4749 .0779 -.1524 .1060 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.3000 .0843 -.0804 -.0287 Means: -.4090 -.4363 .1150 .3373 -.1344 -.2111 -.1539 .3532 .1410 -.0925 2.00 refined_15