1 MET 1 999.9900 -1.5870 999.9900 .9587 -1.9874 -.8719 .0257 .3433 .1989 -.4494 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 -1.4870 -1.7908 -1.4044 .1540 -.4953 -1.2080 3 ASP 3 -.1512 -.9533 999.9900 999.9900 -.1266 -.4103 -.5819 .2532 -.0948 -.3120 4 THR 4 .0466 999.9900 -.8810 999.9900 .1092 -.2417 -.2336 .3260 .0928 -.1265 5 GLY 5 -1.0419 999.9900 999.9900 999.9900 -.0291 -.5355 -.3583 .3255 .0216 -.2760 6 GLU 6 -3.2255 .8332 999.9900 -1.0323 -.3984 -.9558 .1297 -.5599 -.2726 -.7089 7 VAL 7 -.0951 999.9900 -.0276 999.9900 -1.5772 -.5666 -.4345 .1932 -.0683 -.3882 8 GLN 8 -.3854 .6267 999.9900 1.3059 -.4029 .2861 .2712 .3996 .3461 .3025 9 PHE 9 .1414 .4845 999.9900 999.9900 .2172 .2810 .2219 .4692 .3662 .3068 10 MET 10 -.0824 -.2135 999.9900 1.7963 .8447 .5863 .4927 .5501 .5262 .5647 11 LYS 11 -.7523 -.4196 999.9900 .4996 -2.0338 -.4413 .3842 .4443 .4193 -.1969 12 PRO 12 .3744 999.9900 999.9900 999.9900 .6188 .4966 -.1660 .4150 .1730 .3106 13 PHE 13 -.3673 -.6308 999.9900 999.9900 .0736 -.3082 .4331 .0274 .1964 -.0928 14 ILE 14 .1597 .6227 999.9900 999.9900 -1.0155 -.0777 .1533 .3938 .2936 .0628 15 SER 15 .8349 999.9900 -.7153 999.9900 .2374 .1190 .3087 .6504 .5080 .2632 16 GLU 16 1.0761 .8332 999.9900 -1.0323 .2101 .2718 .4996 .4179 .4519 .3341 17 LYS 17 -2.0221 -1.2879 999.9900 .2868 -1.6664 -.8806 .0401 -.3128 -.1657 -.6679 18 SER 18 .1178 999.9900 -.0289 999.9900 -.5437 -.1516 .3904 .5777 .4997 .1027 19 SER 19 1.1864 999.9900 -.0289 999.9900 -.0193 .3794 .4180 .6628 .5608 .4438 20 LYS 20 -2.4227 1.1488 999.9900 -.4035 .5595 -.3043 -.2173 .3323 .1033 -.2009 21 SER 21 -.2454 999.9900 -.7153 999.9900 -.5437 -.5015 .2695 .5983 .4613 -.1273 22 LEU 22 -.1596 .5655 999.9900 999.9900 .6926 .3662 -1.9865 -.1385 -.9085 -.2053 23 GLU 23 -.9070 -1.7714 999.9900 -1.0323 .2865 -.8561 -.5887 -.6342 -.6152 -.7745 24 ILE 24 -.0022 .6122 999.9900 999.9900 .7362 .4487 .2370 .5981 .4477 .4362 25 PRO 25 -.3960 999.9900 999.9900 999.9900 .2426 -.0767 .6159 .5376 .5702 .2500 26 LEU 26 .8182 -1.6805 999.9900 999.9900 .2381 -.2080 .4254 .5115 .4756 .0626 27 GLY 27 .9829 999.9900 999.9900 999.9900 .6270 .8049 .6233 .6497 .6380 .7207 28 PHE 28 .0766 .5902 999.9900 999.9900 -.7419 -.0251 .4886 .5888 .5471 .2004 29 ASN 29 1.1272 .1037 999.9900 999.9900 .4442 .5584 .6385 .3962 .4971 .5420 30 GLU 30 .1449 .6046 999.9900 -1.0323 .0339 -.0622 .4007 -.2823 .0023 -.0217 31 TYR 31 .3338 .5582 999.9900 999.9900 -.1498 .2474 -.0529 .2658 .1330 .1910 32 PHE 32 -2.7602 -.0709 999.9900 999.9900 -1.5955 -1.4755 -.1714 -.1366 -.1511 -.9469 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.8366 -.7801 -1.0635 .3232 -.2546 -.5751 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -.4068 -.4250 .0644 .2141 .1517 -.1429 35 PRO 35 -1.6027 999.9900 999.9900 999.9900 -2.3298 -1.9663 .5131 .4493 .4759 -.7425 36 PHE 36 -1.3242 .7639 999.9900 999.9900 -.0075 -.1892 .6246 .6365 .6316 .1387 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 -.8366 -.9907 -.5984 .6137 .1086 -.4915 38 ILE 38 -1.5193 -.0177 999.9900 999.9900 .4912 -.3486 -.0396 .4940 .2716 -.1183 39 THR 39 .2564 999.9900 -.2947 999.9900 .2932 .0850 -.3282 .5150 .1637 .0884 40 VAL 40 -.0582 999.9900 .9747 999.9900 .6734 .5299 .2644 .1275 .1845 .3963 41 ASP 41 -.4836 -1.3328 999.9900 999.9900 -1.8780 -1.2314 -.0887 .3921 .1918 -.6782 42 LEU 42 .1006 .8730 999.9900 999.9900 -.2242 .2498 -.1353 .2602 .0954 .1748 43 LEU 43 -.3896 -1.6462 999.9900 999.9900 .4774 -.5195 .0398 .1006 .0752 -.2836 44 ASP 44 -1.0941 -.5889 999.9900 999.9900 .5121 -.3903 .3482 .0425 .1699 -.1561 45 TYR 45 .2568 -.2699 999.9900 999.9900 -.4027 -.1386 .3950 -.2138 .0398 -.0469 46 SER 46 .1093 999.9900 -.7153 999.9900 .7151 .0363 .5342 .6038 .5748 .2494 47 GLY 47 .1123 999.9900 999.9900 999.9900 -.3452 -.1164 .5923 .6714 .6363 .2577 48 ARG 48 -.4945 .4266 999.9900 .7862 -.2445 .2520 .1050 .6061 .3973 .2816 49 SER 49 .0374 999.9900 -.0289 999.9900 .0747 .0278 -.3412 .6026 .2093 .0689 50 TRP 50 -.4195 -.8273 999.9900 999.9900 -.1614 -.4694 .3356 .4718 .4151 -.1201 51 THR 51 -1.0713 999.9900 -.8810 999.9900 -1.6680 -1.2068 -.2534 .2365 .0324 -.7274 52 VAL 52 -.8595 999.9900 -1.0788 999.9900 .0545 -.6279 .4238 .5035 .4703 -.1913 53 ARG 53 -.5160 .8024 999.9900 .1593 -.4506 .0309 .5032 .5935 .5559 .1787 54 MET 54 -.3206 .5321 999.9900 .9587 .7725 .4857 .3817 .5560 .4834 .4801 55 LYS 55 -.1715 .8596 999.9900 1.4207 .8457 .8751 .3356 .6414 .5140 .7646 56 LYS 56 -.3414 -.3710 999.9900 .4411 -.4103 -.0481 -.5970 .2065 -.1283 -.0901 57 ARG 57 -1.5415 1.1699 999.9900 .1593 .6379 .1170 -.0757 .4725 .2441 .1402 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 -.2990 -.6570 -.2749 .6923 .2625 -.2241 59 GLU 59 -.6726 -.7859 999.9900 -1.0323 .0339 -.6142 .3655 .6330 .5216 -.2431 60 LYS 60 -.6340 -.0529 999.9900 .7677 .5850 .2867 .3702 .5366 .4673 .3343 61 VAL 61 .0764 999.9900 .4980 999.9900 -.4490 .0418 .1931 .6652 .4685 .1967 62 PHE 62 -.0168 .1608 999.9900 999.9900 -2.2412 -.6990 -.8114 .4339 -.0849 -.4949 63 LEU 63 -.8349 -1.9980 999.9900 999.9900 -2.0927 -1.6419 -.3935 -.0888 -.2158 -1.0816 64 THR 64 -4.2065 999.9900 .2916 999.9900 -1.1761 -1.6970 .0806 .3605 .2439 -.9300 65 VAL 65 -.7790 999.9900 .1416 999.9900 -.5257 -.3877 -.0931 .4852 .2443 -.1542 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -1.2432 -1.5936 -.5049 .6450 .1340 -.7618 67 TRP 67 .9492 -2.6463 999.9900 999.9900 -.9146 -.8705 -.0468 .4517 .2440 -.4413 68 GLU 68 .6116 -.6022 999.9900 -1.0323 .2491 -.1934 .3479 .6519 .5252 .0377 69 ASN 69 .7786 -1.5725 999.9900 999.9900 .5940 -.0666 .1338 .5142 .3557 .0896 70 PHE 70 -.0803 -.1636 999.9900 999.9900 .4513 .0691 .3741 .5677 .4871 .2298 71 VAL 71 .5660 999.9900 .5873 999.9900 -.8010 .1174 .5600 .2271 .3658 .2279 72 LYS 72 1.2214 .2165 999.9900 1.4207 -2.6618 .3235 .4844 .3190 .3879 .3459 73 ASP 73 .9921 -1.1062 999.9900 999.9900 .5431 .1430 .1885 .5121 .3773 .2259 74 ASN 74 -.1320 -.1227 999.9900 999.9900 .1585 -.0321 .2403 .4513 .3634 .1191 75 ASN 75 -3.4329 .2165 999.9900 999.9900 -.5831 -1.2665 -.1146 .5017 .2449 -.6825 76 LEU 76 -1.4617 -1.9410 999.9900 999.9900 -2.5031 -1.9686 -.0349 .0361 .0065 -1.1809 77 GLU 77 -1.9801 -.4402 999.9900 -1.0323 .7566 -.6740 .5717 .3551 .4453 -.2949 78 ASP 78 -1.3872 -1.1062 999.9900 999.9900 .5431 -.6501 .3625 .1037 .2116 -.2968 79 GLY 79 -.8931 999.9900 999.9900 999.9900 .4883 -.2024 .2904 .6937 .5145 .1449 80 LYS 80 -1.3537 .2165 999.9900 .8043 -.2082 .0527 .0742 .6042 .3834 .1345 81 TYR 81 .5504 .8258 999.9900 999.9900 .3421 .5728 .0770 .4806 .3124 .4552 82 LEU 82 -.3075 .8730 999.9900 999.9900 .4227 .3294 .1277 .6603 .4384 .3552 83 GLN 83 -.1966 .6267 999.9900 1.3059 .6605 .5991 -.1390 .2446 .0848 .4170 84 PHE 84 -.2255 .8396 999.9900 999.9900 -.3041 .1033 -.0122 .6321 .3637 .1860 85 ILE 85 .1597 -3.0500 999.9900 999.9900 -.1449 -1.0117 -1.2201 .1479 -.4221 -.8215 86 TYR 86 .0686 .4290 999.9900 999.9900 -.7591 -.0872 .4963 .3251 .3964 .1120 87 ASP 87 .3270 -2.8653 999.9900 999.9900 -.4783 -1.0055 .0279 .2262 .1436 -.5525 88 ARG 88 -2.9267 -2.8571 999.9900 .1593 -1.7309 -1.4392 -.1666 -.4866 -.3532 -1.1213 89 ASP 89 -2.8635 -1.4992 999.9900 999.9900 .1337 -1.4097 -.1410 .4245 .1889 -.7891 90 ARG 90 -2.5097 -.0419 999.9900 .1593 -2.3710 -.9208 -.2842 .4746 .1584 -.6305 91 THR 91 -.1996 999.9900 -.8810 999.9900 .4826 -.1993 .5191 -.5385 -.0978 -.1235 92 PHE 92 .1032 .5589 999.9900 999.9900 -.9498 -.0959 -.7991 .2646 -.1786 -.1644 93 TYR 93 -.0287 .2608 999.9900 999.9900 -.2672 -.0117 -.0004 .3189 .1859 .0567 94 VAL 94 .4077 999.9900 .3968 999.9900 -.5257 .0929 .1472 .6815 .4589 .2215 95 ILE 95 -.1535 -1.0451 999.9900 999.9900 .3195 -.2930 -.4358 .3917 .0469 -.1846 96 ILE 96 .0813 -1.0451 999.9900 999.9900 .1133 -.2835 .1902 .5470 .3983 -.0226 97 TYR 97 -1.0108 .8258 999.9900 999.9900 -.7591 -.3147 -.0640 .5583 .2990 -.0900 98 GLY 98 -.7504 999.9900 999.9900 999.9900 .0351 -.3576 .1921 .0746 .1268 -.1121 99 HIS 99 -3.0884 -.9211 999.9900 999.9900 .6686 -1.1136 .3163 -.2273 -.0008 -.6504 100 ASN 100 -3.4329 .2165 999.9900 999.9900 .6279 -.8628 .2209 -.0689 .0519 -.4873 101 MET 101 -1.2959 -.2892 999.9900 .9587 -.1136 -.1850 -.1749 .5741 .2620 -.0568 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0371 .2664 .1363 .1197 Means: -.5626 -.2977 -.1714 .3431 -.2841 -.2908 .0431 .3442 .2182 -.1043 2.00 refined_2