1 MET 1 999.9900 -1.7864 999.9900 .9587 .9122 .0281 .2196 .5891 .4212 .1786 2 ALA 2 -.7791 999.9900 999.9900 999.9900 -.9190 -.8490 .0270 .5327 .3220 -.2846 3 ASP 3 -.9091 -1.1646 999.9900 999.9900 .0375 -.6787 .5751 .4022 .4742 -.2118 4 THR 4 .8748 999.9900 .8779 999.9900 .5490 .7673 -.2837 .6041 .2342 .5244 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 -.0291 -1.0933 -1.7032 .6184 -.4134 -.8178 6 GLU 6 -1.1499 -.3402 999.9900 -1.0323 .5112 -.5028 -.8963 .2634 -.2198 -.4407 7 VAL 7 -.3909 999.9900 -.5532 999.9900 -.5257 -.4899 -.7628 .3896 -.0905 -.3686 8 GLN 8 -.3854 .6267 999.9900 1.3059 .5636 .5277 -.1308 .5117 .2440 .4153 9 PHE 9 .2406 .5902 999.9900 999.9900 .9272 .5860 -.0130 .5449 .3124 .4580 10 MET 10 -.3503 .5321 999.9900 .9587 .4206 .3903 .1423 .6007 .4097 .3840 11 LYS 11 -.3223 -1.9682 999.9900 -.4035 .2547 -.5686 .1183 .2725 .2083 -.3503 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .7618 .2507 -.0625 .5767 .3103 .2539 13 PHE 13 .0490 -.1636 999.9900 999.9900 .2172 .0342 .5675 .1432 .3200 .1627 14 ILE 14 .4877 .6227 999.9900 999.9900 -1.4322 -.1072 .4812 .5073 .4964 .1334 15 SER 15 .8349 999.9900 .3727 999.9900 .0747 .4274 .2169 .6254 .4552 .4249 16 GLU 16 .0765 1.1195 999.9900 1.1588 -.6780 .4192 .2000 .5941 .4299 .4118 17 LYS 17 -1.4779 .7020 999.9900 .4405 .0060 .0222 .0094 .5894 .3478 .1014 18 SER 18 -.3100 999.9900 -.0289 999.9900 -.0703 -.1364 .1802 .6006 .4255 .0744 19 SER 19 .8651 999.9900 .8786 999.9900 -.1244 .5398 .4930 .6508 .5850 .5526 20 LYS 20 -1.5887 .0381 999.9900 -.4035 -.4892 -.5694 -.1828 .5936 .2701 -.3480 21 SER 21 .2875 999.9900 -.7153 999.9900 .6705 .0809 -.8356 .6218 .0146 .0058 22 LEU 22 .1006 -2.3037 999.9900 999.9900 -.3982 -.8671 .0287 .2913 .1819 -.4562 23 GLU 23 -.5440 -.8169 999.9900 -1.0323 -.3984 -.6979 -.1207 .4810 .2303 -.4052 24 ILE 24 .1597 -.0177 999.9900 999.9900 .3195 .1538 .5024 .4050 .4456 .2738 25 PRO 25 .3725 999.9900 999.9900 999.9900 -.4005 -.0140 .6156 .4613 .5256 .2622 26 LEU 26 -.1625 -1.4996 999.9900 999.9900 .5787 -.3611 .5232 .4970 .5079 -.0126 27 GLY 27 .4759 999.9900 999.9900 999.9900 .9364 .7062 .6861 .6697 .6770 .6920 28 PHE 28 -.0970 .8190 999.9900 999.9900 -.0075 .2382 .5764 .4667 .5124 .3515 29 ASN 29 .9310 -1.0148 999.9900 999.9900 .2129 .0430 .3459 .3352 .3397 .1620 30 GLU 30 .1025 -2.8418 999.9900 -1.0323 -.6780 -1.1124 .1338 .1402 .1376 -.6959 31 TYR 31 .6431 .4960 999.9900 999.9900 -1.0119 .0424 .5230 .5593 .5442 .2419 32 PHE 32 -2.2209 .1164 999.9900 999.9900 -.9498 -1.0181 -.0191 -.2439 -.1503 -.6635 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .0500 -.3368 -2.8568 .2452 -1.0473 -.8213 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.1070 -.7503 -.0072 .3245 .1863 -.2958 35 PRO 35 .1514 999.9900 999.9900 999.9900 -1.3105 -.5796 .4086 .4306 .4215 -.0800 36 PHE 36 -1.3242 -.7766 999.9900 999.9900 -.0075 -.7027 -.1745 .3321 .1210 -.3901 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .4949 -.3250 -.7521 .6696 .0772 -.1831 38 ILE 38 -3.3732 -.0177 999.9900 999.9900 .9338 -.8190 .0970 .4638 .3109 -.3793 39 THR 39 .0347 999.9900 .4804 999.9900 -.2561 .0863 .0681 .6574 .4118 .1969 40 VAL 40 -.0523 999.9900 -.0276 999.9900 -.3121 -.1306 -.3938 -.0613 -.1998 -.1694 41 ASP 41 -.6569 -.5192 999.9900 999.9900 .1337 -.3475 -.4080 .2573 -.0199 -.2386 42 LEU 42 -.0536 .8730 999.9900 999.9900 .3346 .3847 -1.7147 .3726 -.4971 -.0376 43 LEU 43 -.6830 -2.1315 999.9900 999.9900 .4227 -.7973 -2.0119 .5276 -.5305 -.7752 44 ASP 44 -.8144 -.5059 999.9900 999.9900 -.4783 -.5995 -.0871 .4042 .1995 -.2963 45 TYR 45 .3981 -.2907 999.9900 999.9900 .6556 .2543 .4018 .3978 .3995 .3125 46 SER 46 .0421 999.9900 -.0289 999.9900 .7781 .2638 .4780 .5919 .5444 .3723 47 GLY 47 -1.1293 999.9900 999.9900 999.9900 .2296 -.4498 .5421 .6242 .5877 .0667 48 ARG 48 -.6502 .1897 999.9900 .7862 .6728 .3569 .0063 .4575 .2695 .3212 49 SER 49 .0135 999.9900 .6576 999.9900 -.6377 .0112 .3352 .6143 .4980 .1966 50 TRP 50 -.1712 -1.0414 999.9900 999.9900 .4467 -.2553 .0085 .4915 .2903 -.0532 51 THR 51 .2423 999.9900 -.8810 999.9900 .1586 -.1600 .2166 .5658 .4203 .0605 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .5776 -.1865 -.2032 .5114 .2136 -.0502 53 ARG 53 -.4063 -2.3766 999.9900 1.2696 -1.7309 -.3949 -.0870 .5217 .2681 -.2200 54 MET 54 -.3503 .2906 999.9900 .9587 .9122 .4528 .4884 .4969 .4933 .4661 55 LYS 55 -.1919 1.1776 999.9900 .1140 -.8987 .0630 -.8783 .3685 -.1510 -.0278 56 LYS 56 -.3543 .2033 999.9900 -.0397 .5062 .0551 -1.9245 -.1854 -.9100 -.2620 57 ARG 57 -2.0927 .8164 999.9900 .1593 .4407 -.1034 .2714 .5090 .4100 .0376 58 GLY 58 -2.9723 999.9900 999.9900 999.9900 -.8367 -1.9045 -.1361 .5712 .2569 -.8435 59 GLU 59 -1.0162 1.0525 999.9900 .3501 -.7952 -.1022 .4949 .3706 .4224 .0761 60 LYS 60 -.3223 .8596 999.9900 1.1353 -.3378 .4940 .5809 .4719 .5174 .5033 61 VAL 61 .3116 999.9900 .1416 999.9900 .1378 .1970 -.4352 .4179 .0625 .1148 62 PHE 62 -.3916 .1164 999.9900 999.9900 .2172 -.0193 -.3800 .4986 .1325 .0121 63 LEU 63 -.4065 .8730 999.9900 999.9900 -2.5031 -.6789 -.8637 .3962 -.1287 -.5008 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .2056 -1.4319 -.6286 .0313 -.2436 -.9786 65 VAL 65 -1.1433 999.9900 .6672 999.9900 .6734 .0658 .1413 .5283 .3671 .1734 66 GLY 66 -.8931 999.9900 999.9900 999.9900 -1.3818 -1.1375 -.5575 .6873 .1341 -.5363 67 TRP 67 .4280 .0052 999.9900 999.9900 -.1614 .0906 .0159 .2467 .1506 .1069 68 GLU 68 .4426 -.3402 999.9900 .3501 .1264 .1447 .1681 .5357 .3826 .2138 69 ASN 69 1.3908 1.0524 999.9900 999.9900 .1585 .8672 -1.0337 .5552 -.1068 .4247 70 PHE 70 .6259 -.1636 999.9900 999.9900 -.1944 .0893 .4333 .6286 .5472 .2660 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .6503 .1850 -.1701 .6225 .2922 .2015 72 LYS 72 .8536 1.1488 999.9900 .4411 -.1497 .5470 .5760 .5017 .5326 .5447 73 ASP 73 .9921 -.7152 999.9900 999.9900 .6587 .3119 -.2670 .4297 .1394 .2196 74 ASN 74 -.6931 -.4258 999.9900 999.9900 -.4633 -.5274 .4077 .3585 .3790 -.1632 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .1585 -1.4297 .3134 .3417 .3299 -.7268 76 LEU 76 -1.2495 -3.3760 999.9900 999.9900 .3648 -1.4202 -.4191 .3782 .0460 -.8603 77 GLU 77 -1.8465 -.9977 999.9900 -1.0323 .3899 -.8717 .4484 .3913 .4151 -.4412 78 ASP 78 -.5899 -1.2961 999.9900 999.9900 -.1266 -.6709 -.2378 .4992 .1922 -.3502 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.2551 -1.0996 .3817 .6192 .5136 -.2996 80 LYS 80 -.3414 -1.4228 999.9900 1.2852 .6805 .2973 -.0174 .5748 .3281 .2920 81 TYR 81 .2641 .8492 999.9900 999.9900 .7393 .6175 -1.6677 .5790 -.3571 .1528 82 LEU 82 -.5178 -3.3760 999.9900 999.9900 .7348 -1.0530 -1.3108 .3033 -.3692 -.8333 83 GLN 83 -.3535 .9979 999.9900 1.3059 .5636 .6285 -.8935 .5679 -.0410 .3647 84 PHE 84 -.0803 -.8691 999.9900 999.9900 -.7419 -.5638 -.0333 .6019 .3372 -.2246 85 ILE 85 -.0022 .6227 999.9900 999.9900 -2.1444 -.5080 -.3349 .3311 .0536 -.3056 86 TYR 86 -.3370 -.3674 999.9900 999.9900 -1.9776 -.8940 .3773 .0559 .1898 -.4497 87 ASP 87 -2.3854 -2.0928 999.9900 999.9900 -2.9873 -2.4885 .2050 -.4614 -.1837 -1.5444 88 ARG 88 -2.5097 -2.8571 999.9900 .5548 -1.7309 -1.1976 -.5066 -1.6045 -1.1470 -1.1570 89 ASP 89 -2.3854 -.7325 999.9900 999.9900 -.1266 -1.0815 -1.2470 -.0398 -.5428 -.9062 90 ARG 90 -1.2223 .8164 999.9900 .1593 -.5739 -.1322 .2047 -.2362 -.0525 -.0990 91 THR 91 .4171 999.9900 .0483 999.9900 .4476 .3043 .3158 .5649 .4611 .3587 92 PHE 92 .0900 .4802 999.9900 999.9900 .1482 .2394 -.0987 .5969 .3071 .2433 93 TYR 93 .0686 -.1547 999.9900 999.9900 .7784 .2308 .1054 .5818 .3833 .2759 94 VAL 94 .2313 999.9900 .2799 999.9900 -.4490 .0207 .1424 .6423 .4340 .1694 95 ILE 95 -.2299 -3.0500 999.9900 999.9900 .4912 -.9296 -.0716 .3590 .1796 -.5002 96 ILE 96 .2593 -1.0451 999.9900 999.9900 .3195 -.1554 .0810 .6096 .3893 .0449 97 TYR 97 -.2386 .8258 999.9900 999.9900 -.4027 .0615 .3333 .6764 .5334 .2388 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 -1.0172 -1.9947 -.2090 .6748 .2820 -.8809 99 HIS 99 -1.1190 .2436 999.9900 999.9900 -.1902 -.3552 .3438 .5058 .4383 -.0432 100 ASN 100 -1.4401 .2165 999.9900 999.9900 -.3577 -.5271 -.1314 .6091 .3005 -.2207 101 MET 101 -1.6625 .5321 999.9900 .9587 .8447 .1682 .0739 .5361 .3435 .2138 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2187 .3234 .2785 .2239 Means: -.5189 -.3764 -.0081 .3891 -.0947 -.2208 -.1118 .4166 .1954 -.0767 2.00 refined_18