1 MET 1 999.9900 .4901 999.9900 .9587 .5203 .6564 .5026 .6392 .5771 .6222 2 ALA 2 -2.3529 999.9900 999.9900 999.9900 .6708 -.8410 -.5217 .5524 .1048 -.4128 3 ASP 3 -1.3872 -1.0518 999.9900 999.9900 .6026 -.6122 .2637 .3674 .3242 -.2411 4 THR 4 1.2375 999.9900 .6346 999.9900 .2932 .7218 -.0155 .5359 .3062 .5371 5 GLY 5 -.3903 999.9900 999.9900 999.9900 .3466 -.0219 -.6126 .4860 -.0023 -.0426 6 GLU 6 -.4857 -.1645 999.9900 -1.0323 .0339 -.4121 -.2817 .4099 .1217 -.2534 7 VAL 7 -.0463 999.9900 -.0276 999.9900 -2.2406 -.7715 -.6646 .5908 .0677 -.4776 8 GLN 8 -.4424 -1.6169 999.9900 1.3059 .7055 -.0120 -2.7104 .3212 -.9420 -.4062 9 PHE 9 .1414 .1164 999.9900 999.9900 .4513 .2364 -.9041 .4498 -.1144 .0510 10 MET 10 -.2922 -1.7864 999.9900 .9587 .7725 -.0869 -.4819 .3420 -.0013 -.0812 11 LYS 11 -.2978 -2.9005 999.9900 .1731 .8827 -.3939 -.0479 .0687 .0201 -.2784 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4021 .2070 .0756 .5844 .3724 .2685 13 PHE 13 -.0400 -1.1947 999.9900 999.9900 -.4285 -.5544 -.4417 -.6783 -.5797 -.5566 14 ILE 14 -.0918 .6227 999.9900 999.9900 -2.8566 -.7753 -.0486 -.2503 -.1663 -.5249 15 SER 15 .5661 999.9900 .3727 999.9900 .5215 .4867 .4483 .6678 .5764 .5153 16 GLU 16 1.0761 .7809 999.9900 -1.0323 .4218 .3116 .3811 .6171 .5187 .3741 17 LYS 17 -.8267 -1.1257 999.9900 .3240 -2.6618 -.7932 .2476 .5084 .3997 -.4586 18 SER 18 .4640 999.9900 1.0592 999.9900 .1994 .5742 .0848 .5084 .3319 .4632 19 SER 19 .7489 999.9900 .3727 999.9900 .5215 .5477 .3191 .4723 .4084 .4869 20 LYS 20 -3.5196 -1.8181 999.9900 .5761 -.1497 -.8671 .1619 .2540 .2156 -.5599 21 SER 21 .0742 999.9900 -.7153 999.9900 -.4586 -.3666 .5571 .5893 .5759 .0093 22 LEU 22 -.1775 -1.8410 999.9900 999.9900 .7949 -.4079 -.4006 .3654 .0463 -.2517 23 GLU 23 -.7937 .1870 999.9900 1.7325 -1.0906 .0088 .2365 .6781 .4941 .1583 24 ILE 24 .0718 .6227 999.9900 999.9900 .3195 .3380 .4320 .2973 .3534 .3487 25 PRO 25 .3725 999.9900 999.9900 999.9900 -1.0436 -.3356 .4310 .2653 .3343 .0063 26 LEU 26 .4996 -1.2835 999.9900 999.9900 .4774 -.1022 .2729 .1052 .1751 .0143 27 GLY 27 1.2494 999.9900 999.9900 999.9900 .9364 1.0929 .6595 .6005 .6267 .8615 28 PHE 28 -.0639 .9147 999.9900 999.9900 -1.2178 -.1223 .3824 .5232 .4645 .1077 29 ASN 29 1.1117 -3.3254 999.9900 999.9900 .5588 -.5516 .5094 .4188 .4566 -.1453 30 GLU 30 .6833 -.3719 999.9900 -1.0323 -1.0906 -.4529 .5246 .4624 .4883 -.1374 31 TYR 31 -.0083 .7834 999.9900 999.9900 .4027 .3926 .4957 .4219 .4526 .4191 32 PHE 32 -1.5081 -.6160 999.9900 999.9900 -.9498 -1.0246 .1229 -.3724 -.1660 -.6647 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .0500 -.1053 -2.0024 .3189 -.6483 -.4735 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.3426 -.8681 -.0780 .2960 .1402 -.3795 35 PRO 35 .6201 999.9900 999.9900 999.9900 -1.0436 -.2118 -.2602 .2727 .0507 -.1028 36 PHE 36 -1.3242 -.3506 999.9900 999.9900 .2815 -.4644 -.5166 .4048 .0209 -.3010 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .1827 -.0292 -.2749 .6500 .2646 .0792 38 ILE 38 -1.4270 -.0177 999.9900 999.9900 .4089 -.3453 .4007 .5699 .4994 -.0131 39 THR 39 .3976 999.9900 -.8810 999.9900 .6112 .0426 .4985 .5504 .5288 .2353 40 VAL 40 -.3548 999.9900 -.0276 999.9900 .7394 .1190 .0522 -.1007 -.0370 .0617 41 ASP 41 -.9509 -.9533 999.9900 999.9900 .2628 -.5471 .0738 .4325 .2831 -.2270 42 LEU 42 .1006 .8730 999.9900 999.9900 -.1229 .2836 -.2948 .4146 .1190 .1941 43 LEU 43 -.1196 -2.1315 999.9900 999.9900 .2381 -.6710 -.5365 .4235 .0235 -.4252 44 ASP 44 -.8144 -2.8653 999.9900 999.9900 -.1878 -1.2892 .5126 .2732 .3729 -.6164 45 TYR 45 .6431 -.4770 999.9900 999.9900 .7393 .3018 .5278 .4221 .4661 .3711 46 SER 46 .4341 999.9900 .3727 999.9900 .1994 .3354 .5444 .6765 .6215 .4454 47 GLY 47 -1.1293 999.9900 999.9900 999.9900 .3466 -.3914 .5271 .6226 .5802 .0918 48 ARG 48 -.6502 .6306 999.9900 .5548 -.4506 .1279 .1708 .4127 .3119 .1747 49 SER 49 -.2734 999.9900 .3727 999.9900 .7781 .2925 .0183 .5711 .3408 .2934 50 TRP 50 -.2452 -1.0414 999.9900 999.9900 -.1614 -.4827 .0683 .5500 .3493 -.1659 51 THR 51 -1.0713 999.9900 1.1473 999.9900 -1.3910 -.4383 -.6297 .4563 .0038 -.2977 52 VAL 52 -.1853 999.9900 .8662 999.9900 .8960 .5256 -.5186 .3178 -.0307 .2752 53 ARG 53 -.4063 1.1781 999.9900 .5548 .2455 .4254 -.2413 .5014 .1919 .3410 54 MET 54 -.3815 .5321 999.9900 1.7963 .3104 .5643 .4059 .3112 .3507 .4958 55 LYS 55 -.8267 -.2970 999.9900 -.4035 -.4103 -.4682 .1154 .4814 .3289 -.2492 56 LYS 56 -.1867 .7568 999.9900 .1140 .5850 .2766 -4.3472 .0498 -1.7823 -.4163 57 ARG 57 -1.5415 -2.8571 999.9900 1.6274 .4837 -.1321 -.7759 .3225 -.1352 -.1591 58 GLY 58 -1.2645 999.9900 999.9900 999.9900 -1.0172 -1.1408 .2103 .6381 .4480 -.3583 59 GLU 59 -.4919 -.2670 999.9900 -1.0323 .3568 -.3586 .4275 .1631 .2733 -.1406 60 LYS 60 -.2345 -2.9005 999.9900 .3240 -.5755 -.6125 .5563 .2397 .3716 -.3238 61 VAL 61 .1158 999.9900 .7395 999.9900 -.8010 .0181 -.1193 .2731 .1096 .0416 62 PHE 62 -.0244 .1357 999.9900 999.9900 -.0075 .0346 -.9990 .2689 -.2594 -.1253 63 LEU 63 -.2787 -1.4996 999.9900 999.9900 -.9806 -.9196 -.7503 -.4729 -.5885 -.7964 64 THR 64 -3.2663 999.9900 .0483 999.9900 -.6102 -1.2761 -.0421 .0141 -.0093 -.7713 65 VAL 65 -1.1312 999.9900 .7395 999.9900 -2.2406 -.8774 -.5030 .3572 -.0012 -.5556 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 -2.0052 -2.4888 -.2704 -.3581 -.3191 -1.4015 67 TRP 67 .2222 .0052 999.9900 999.9900 -.9146 -.2291 .0604 .1030 .0853 -.1047 68 GLU 68 .6116 .7809 999.9900 -1.0323 .4526 .2032 .0442 .3705 .2345 .2046 69 ASN 69 .9642 -1.5725 999.9900 999.9900 .1585 -.1499 -.3197 .5372 .1801 -.0465 70 PHE 70 .8041 .8308 999.9900 999.9900 .4513 .6954 .4868 .6166 .5625 .6379 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .3827 .1167 .0692 .3779 .2493 .1595 72 LYS 72 .6751 .7568 999.9900 .3240 -1.2036 .1753 -.0453 .2697 .1384 .1572 73 ASP 73 .3915 -.4551 999.9900 999.9900 .1337 .0234 .1463 .4182 .3049 .1269 74 ASN 74 -.6931 -.4258 999.9900 999.9900 -.1777 -.4322 .6710 .2223 .4092 -.0806 75 ASN 75 -2.3558 .2165 999.9900 999.9900 .5588 -.5268 .4124 -.1803 .0666 -.2697 76 LEU 76 -.4738 .8730 999.9900 999.9900 -.1229 .0921 -.3258 .6027 .2158 .1106 77 GLU 77 -1.1499 1.1195 999.9900 -1.0323 -.7952 -.4645 .1822 .4050 .3122 -.2118 78 ASP 78 -.7312 -1.3328 999.9900 999.9900 .6026 -.4871 .1944 .5937 .4273 -.1347 79 GLY 79 -.2363 999.9900 999.9900 999.9900 -.1733 -.2048 .4820 .6479 .5741 .1800 80 LYS 80 -.7762 .0031 999.9900 .6878 .5850 .2375 .5605 .4062 .4705 .3078 81 TYR 81 -.1042 .8258 999.9900 999.9900 .7784 .5000 -.5058 .5643 .1185 .3117 82 LEU 82 -.1655 .8730 999.9900 999.9900 -.7775 -.0233 -.8820 .5776 -.0306 -.0749 83 GLN 83 -.1966 .6816 999.9900 1.3059 .1963 .4968 -.7755 .4847 -.0404 .2827 84 PHE 84 -.2457 .1608 999.9900 999.9900 -.7419 -.2756 -.5140 .5836 .1263 -.1514 85 ILE 85 -.3198 .6227 999.9900 999.9900 .4912 .2647 -.7993 .4998 -.0415 .0989 86 TYR 86 .0500 .4609 999.9900 999.9900 -.1498 .1204 .1615 .2096 .1896 .1464 87 ASP 87 .3371 -3.7306 999.9900 999.9900 .8336 -.8533 .3149 .5406 .4466 -.3409 88 ARG 88 -2.9267 .8164 999.9900 .7862 .4837 -.0109 .5024 -.1309 .1330 .0453 89 ASP 89 -3.3417 -1.1062 999.9900 999.9900 -2.9873 -2.4784 .3684 -.1315 .0768 -1.4397 90 ARG 90 -2.0927 -.3536 999.9900 .5548 -2.3710 -.7415 .4202 .5273 .4826 -.3943 91 THR 91 .4171 999.9900 -.8810 999.9900 .1092 -.1182 .4132 .2046 .2915 .0526 92 PHE 92 -.2986 .5589 999.9900 999.9900 .2172 .1592 .0788 .3440 .2335 .1801 93 TYR 93 -.0819 .3565 999.9900 999.9900 -1.9776 -.5677 .1958 .5285 .3898 -.1957 94 VAL 94 .2313 999.9900 -.2457 999.9900 -.8010 -.2718 .2335 .6720 .4893 .0180 95 ILE 95 .1597 -2.2551 999.9900 999.9900 .2717 -.6079 -.1615 .3654 .1459 -.3239 96 ILE 96 -.0022 -3.0500 999.9900 999.9900 -1.4322 -1.4948 -.1057 .3554 .1633 -.8469 97 TYR 97 .4403 -.2802 999.9900 999.9900 -.7591 -.1997 -.3049 -.3514 -.3321 -.2511 98 GLY 98 1.1139 999.9900 999.9900 999.9900 .2782 .6961 .6317 .3910 .4980 .6037 99 HIS 99 -2.5191 -.4127 999.9900 999.9900 -.6493 -1.1937 -.7860 .3292 -.1355 -.8076 100 ASN 100 -.6706 -.1227 999.9900 999.9900 .5940 -.0664 .3181 .4849 .4154 .1208 101 MET 101 -1.1708 -1.3058 999.9900 2.2863 -.8385 -.2572 -.3694 .4470 .1069 -.1585 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 -.2221 .4126 .1406 .3511 Means: -.3764 -.4723 .1964 .4242 -.1810 -.2080 -.0746 .3550 .1751 -.0734 2.00 refined_15