1 MET 1 999.9900 -.1672 999.9900 .9587 -.3043 .1624 .5642 .5732 .5691 .3249 2 ALA 2 -.3032 999.9900 999.9900 999.9900 .4999 .0984 -.2810 .6699 .2737 .1464 3 ASP 3 -.8696 -1.6521 999.9900 999.9900 .6587 -.6210 .4571 .1346 .2690 -.2543 4 THR 4 .1421 999.9900 .2916 999.9900 .7246 .3861 .2596 .6114 .4648 .4059 5 GLY 5 -2.9723 999.9900 999.9900 999.9900 .0951 -1.4386 -.9655 .5562 -.1201 -.8216 6 GLU 6 -.6163 .6046 999.9900 -1.0323 -.4821 -.3815 .3235 .5588 .4607 -.1073 7 VAL 7 .3116 999.9900 -.5532 999.9900 .4426 .0670 -.3482 .5238 .1604 .0753 8 GLN 8 -.4306 -.2368 999.9900 1.3059 .6605 .3248 -.6117 .5053 .0399 .1988 9 PHE 9 -.0559 -.1460 999.9900 999.9900 .3416 .0466 -.2083 .6726 .3056 .1208 10 MET 10 -.0824 -.2892 999.9900 2.6340 .0476 .5775 -.0645 .4145 .2149 .4433 11 LYS 11 -.7523 -.1141 999.9900 -.4035 .5595 -.2228 .4195 .4106 .4143 -.0406 12 PRO 12 .6201 999.9900 999.9900 999.9900 -.6674 -.0237 .2058 -.0562 .0530 .0256 13 PHE 13 .0900 -.6308 999.9900 999.9900 -.0962 -.2124 .0690 .0122 .0359 -.1112 14 ILE 14 .5210 -1.8577 999.9900 999.9900 -.4906 -.6091 .3473 .4102 .3840 -.2140 15 SER 15 .8760 999.9900 -.0289 999.9900 .5215 .4562 .3884 .6692 .5522 .4852 16 GLU 16 -.2326 .8332 999.9900 .3501 1.0761 .5067 .2846 .4795 .3983 .4651 17 LYS 17 -.8267 -2.1617 999.9900 1.0822 -.2707 -.2189 -.0852 -.1743 -.1372 -.1935 18 SER 18 -.5255 999.9900 -.7153 999.9900 -1.6178 -.9529 .2542 .4835 .3879 -.4242 19 SER 19 .7489 999.9900 .6576 999.9900 .5215 .6427 -.1967 .4221 .1643 .4307 20 LYS 20 -3.5196 -2.9005 999.9900 .4405 -1.4057 -1.3890 .1827 .4110 .3159 -.9073 21 SER 21 .2423 999.9900 -.0289 999.9900 -1.6178 -.4681 .3119 .3041 .3073 -.1577 22 LEU 22 -.1596 .5655 999.9900 999.9900 -.1723 .0779 -1.6613 -.3792 -.9134 -.3614 23 GLU 23 -.8365 -2.8418 999.9900 -1.0323 -1.2865 -1.4993 -.3142 -.6836 -.5297 -1.1658 24 ILE 24 .1597 .6227 999.9900 999.9900 .9338 .5721 .4167 .6028 .5252 .5471 25 PRO 25 .1313 999.9900 999.9900 999.9900 .9143 .5228 .4589 .1946 .3047 .4248 26 LEU 26 .8786 .3419 999.9900 999.9900 .1683 .4629 .5087 .4501 .4745 .4695 27 GLY 27 1.0801 999.9900 999.9900 999.9900 .7039 .8920 .6493 .6501 .6497 .7708 28 PHE 28 -.7647 .3244 999.9900 999.9900 -.3041 -.2482 .6354 .5071 .5606 .0796 29 ASN 29 1.1272 .1037 999.9900 999.9900 .9106 .7138 .4355 .4224 .4279 .5999 30 GLU 30 .3258 .7809 999.9900 -1.0323 .0814 .0389 .5809 .1216 .3130 .1430 31 TYR 31 .8857 .6919 999.9900 999.9900 .1301 .5692 .4574 .6261 .5558 .5582 32 PHE 32 -2.7602 -2.4384 999.9900 999.9900 -.3041 -1.8342 -.0104 -.0606 -.0397 -1.1147 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 .1827 -.8917 -2.2460 -.0156 -.9449 -1.0112 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -3.1661 -1.8047 .1012 -.2166 -.0842 -.9312 35 PRO 35 .4049 999.9900 999.9900 999.9900 -2.3298 -.9625 .3086 .3058 .3069 -.3277 36 PHE 36 -.5560 -.6160 999.9900 999.9900 -2.2412 -1.1377 -.1229 .4792 .2283 -.6114 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .4496 -.3476 -.3117 .4842 .1526 -.1307 38 ILE 38 -1.5441 -2.1272 999.9900 999.9900 -2.1444 -1.9386 .0257 .3387 .2083 -1.0903 39 THR 39 .3976 999.9900 -.8810 999.9900 .8957 .1374 .4247 .3997 .4101 .2473 40 VAL 40 -.3909 999.9900 -.2457 999.9900 -.5257 -.3874 .2061 -.3046 -.0918 -.2522 41 ASP 41 -.9509 -1.5469 999.9900 999.9900 -.2530 -.9169 .3450 .3066 .3226 -.4198 42 LEU 42 -.0536 .8730 999.9900 999.9900 -.6084 .0704 -.0339 .2364 .1238 .0827 43 LEU 43 .0291 -2.1315 999.9900 999.9900 .7348 -.4559 -.2440 .6049 .2512 -.2014 44 ASP 44 -.9954 -.2599 999.9900 999.9900 .5431 -.2374 .3880 .6000 .5117 .0552 45 TYR 45 -.2520 .5297 999.9900 999.9900 .6984 .3254 .5200 .4728 .4924 .3938 46 SER 46 -.3100 999.9900 -.7153 999.9900 .8558 -.0565 .6430 .6405 .6415 .2228 47 GLY 47 .9055 999.9900 999.9900 999.9900 .9364 .9210 .2996 .6780 .5098 .7049 48 ARG 48 -.5270 .1897 999.9900 .1593 .6017 .1166 -1.2566 .6195 -.1622 -.0077 49 SER 49 -.5771 999.9900 -.0289 999.9900 .5215 -.0282 -.3821 .5498 .1615 .0166 50 TRP 50 -1.9511 -1.3095 999.9900 999.9900 .4467 -.9380 -.9193 .6563 -.0002 -.6154 51 THR 51 -1.0713 999.9900 .2916 999.9900 -1.6680 -.8159 -.1058 .1548 .0462 -.4797 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .8778 -.1287 -.4125 .5271 .1356 -.0543 53 ARG 53 -.4063 1.1781 999.9900 .1593 -2.3710 -.2561 -.3206 .4680 .1394 -.1619 54 MET 54 -.3503 .5321 999.9900 .9587 -.5376 .1507 .2031 .3100 .2655 .1860 55 LYS 55 -.1919 -1.6955 999.9900 .2495 -1.4057 -.5588 .0955 .4323 .2920 -.3237 56 LYS 56 -.4232 .2033 999.9900 .3240 -1.0384 -.1220 -2.3858 -.3876 -1.2202 -.4834 57 ARG 57 -1.7561 .8164 999.9900 .1593 -.0761 -.1394 .0627 .5069 .3218 -.0182 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -.7584 -1.7150 -.5777 .4321 -.0167 -.8939 59 GLU 59 -.5578 1.1195 999.9900 -1.0323 -1.0906 -.3903 -.3379 .3774 .0794 -.2536 60 LYS 60 -.6439 1.1776 999.9900 .7184 -.4892 .2963 .1500 -.0491 .0338 .2260 61 VAL 61 .5332 999.9900 .3968 999.9900 .5521 .4940 -1.5469 .0288 -.6278 -.0072 62 PHE 62 -.0168 .8396 999.9900 999.9900 -.0075 .2718 -1.1713 .4181 -.2441 .0124 63 LEU 63 -.8349 .8730 999.9900 999.9900 -2.0927 -.6849 -1.6921 .2274 -.5724 -.7038 64 THR 64 -4.2065 999.9900 .4804 999.9900 -1.0006 -1.5756 .3813 .3767 .3786 -.7938 65 VAL 65 -.9399 999.9900 -1.0788 999.9900 -1.5772 -1.1986 .2887 .3915 .3486 -.5831 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.6795 .3502 -.1074 -.6546 67 TRP 67 .4280 .5502 999.9900 999.9900 .4467 .4750 .0792 .5470 .3521 .4102 68 GLU 68 .3258 -2.8418 999.9900 1.1588 -1.0906 -.6120 .2122 -.4333 -.1644 -.4448 69 ASN 69 .9310 1.2520 999.9900 999.9900 .6279 .9370 .0122 .5759 .3410 .6798 70 PHE 70 .6259 -1.0172 999.9900 999.9900 -.0962 -.1625 .3446 .6010 .4941 .0916 71 VAL 71 .7683 999.9900 -1.0788 999.9900 -.1376 -.1493 .2733 .5765 .4502 .0804 72 LYS 72 .6751 .3679 999.9900 .6177 -1.4057 .1745 .5250 .4493 .4808 .2638 73 ASP 73 .9921 -.8657 999.9900 999.9900 .6310 .2525 -.4030 .5174 .1339 .1743 74 ASN 74 -.1320 -.8278 999.9900 999.9900 .4840 -.1586 .2901 .2911 .2907 .0211 75 ASN 75 -3.4329 .2165 999.9900 999.9900 .5588 -.8858 .1411 .0864 .1092 -.4860 76 LEU 76 -1.1512 .8730 999.9900 999.9900 .7753 .1657 .3425 .6134 .5006 .2906 77 GLU 77 -1.3743 -.1645 999.9900 -1.0323 .6899 -.4703 .3790 .3628 .3695 -.1899 78 ASP 78 -.1718 -3.1847 999.9900 999.9900 -.2530 -1.2031 -.1010 .4452 .2176 -.6530 79 GLY 79 -1.5840 999.9900 999.9900 999.9900 -.3452 -.9646 .2097 .5348 .3903 -.2962 80 LYS 80 -.3038 .6560 999.9900 -.0397 -2.6618 -.4778 .2284 -.0703 .0542 -.3187 81 TYR 81 .1961 .5339 999.9900 999.9900 .2066 .3122 -.4112 .2397 -.0315 .1530 82 LEU 82 -.0977 -2.1315 999.9900 999.9900 -2.5031 -1.5775 -.6427 .3451 -.0665 -1.0060 83 GLN 83 -.1966 -.1406 999.9900 1.3059 .7055 .4186 -1.3337 -.0945 -.6108 .0410 84 PHE 84 -.0803 .1033 999.9900 999.9900 -.3041 -.0937 -1.5107 .5603 -.3026 -.2463 85 ILE 85 -.0022 .6227 999.9900 999.9900 -2.1444 -.5080 -1.0514 .2550 -.2894 -.4641 86 TYR 86 .0686 .7421 999.9900 999.9900 .4594 .4234 -.0053 .5250 .3041 .3580 87 ASP 87 -1.2094 -1.0010 999.9900 999.9900 -.1266 -.7790 -.1926 -.2103 -.2029 -.5480 88 ARG 88 -.3457 -.2995 999.9900 .1593 -.4506 -.1554 .2297 -.0629 .0590 -.0872 89 ASP 89 -1.9072 -1.3712 999.9900 999.9900 -1.5875 -1.6220 -1.9672 .4491 -.5577 -1.2768 90 ARG 90 -2.9267 1.0644 999.9900 1.8476 .4407 .4547 .2825 .3705 .3338 .4181 91 THR 91 .2184 999.9900 -.8810 999.9900 .6112 -.0172 .1740 .5849 .4137 .1415 92 PHE 92 .0900 .5589 999.9900 999.9900 .5949 .4146 -.0538 .4288 .2277 .3238 93 TYR 93 .0500 -.6021 999.9900 999.9900 -1.9776 -.8432 .4067 .4175 .4130 -.3411 94 VAL 94 .3116 999.9900 -.5532 999.9900 -2.2406 -.8274 .3882 .4326 .4141 -.3323 95 ILE 95 .3408 -.3653 999.9900 999.9900 -.1449 -.0565 .2396 .5064 .3952 .1153 96 ILE 96 -.1408 -.1544 999.9900 999.9900 -.5989 -.2981 -.3841 .5572 .1650 -.1442 97 TYR 97 -.0819 .8258 999.9900 999.9900 .4027 .3822 .0531 .4327 .2745 .3265 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 -.5578 -1.5080 .3436 .6234 .4991 -.5122 99 HIS 99 -.8643 -.8163 999.9900 999.9900 .6686 -.3373 -.5180 .5908 .1288 -.1878 100 ASN 100 -3.4329 .2165 999.9900 999.9900 -1.3432 -1.5199 .4786 -.0732 .1567 -.8308 101 MET 101 -2.6662 -.2892 999.9900 2.6340 -.3043 -.1564 .3099 -.1452 .0445 -.0768 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2620 -.0223 .0995 .1231 Means: -.5170 -.2813 -.2958 .4383 -.2815 -.2685 -.0915 .3328 .1552 -.1185 2.00 refined_10