1 GLU 1 999.9900 -.4402 999.9900 -1.0323 1.0761 -.1321 .1106 .5995 .3773 .0628 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 -.0105 -1.0526 -.9158 .5822 -.0420 -.6097 3 GLU 3 -.5648 -.3402 999.9900 -1.0323 .7127 -.3062 -.6801 .6196 .0781 -.2142 4 VAL 4 -.0288 999.9900 -1.0788 999.9900 .6734 -.1447 -.6753 .2405 -.1411 -.1738 5 HIS 5 -.5497 .0958 999.9900 999.9900 -.1902 -.2147 .3468 .4622 .4141 .0330 6 ASN 6 -.9968 -1.0148 999.9900 999.9900 .4024 -.5364 .4947 .4133 .4472 -.1402 7 GLN 7 -.9535 .6727 999.9900 1.3059 -.7286 .0741 .1116 .4935 .3344 .1503 8 LEU 8 -.0766 -1.4996 999.9900 999.9900 .3648 -.4038 -.0170 .3006 .1683 -.1855 9 GLU 9 -.4269 1.1195 999.9900 -1.0323 .7127 .0932 -.6667 .6441 .0979 .0584 10 ILE 10 -.1366 .6227 999.9900 999.9900 -2.1444 -.5528 .0731 .6605 .4158 -.1849 11 LYS 11 -.3038 -.5490 999.9900 -.4035 -.2707 -.3861 -.3282 .2132 -.0124 -.2922 12 PHE 12 -.2457 .9147 999.9900 999.9900 .6382 .4358 .4592 .6642 .5788 .4861 13 ARG 13 -.6927 -2.8571 999.9900 .9503 -.2445 -.3787 .4917 .6147 .5634 -.1125 14 LEU 14 -.4282 -1.1684 999.9900 999.9900 .0933 -.5011 .3474 .4631 .4148 -.1386 15 THR 15 -.1166 999.9900 -.8810 999.9900 .4476 -.1833 .5060 .2894 .3797 .0491 16 ASP 16 .1806 -.9533 999.9900 999.9900 .1337 -.2130 .6525 .4687 .5453 .0964 17 GLY 17 .8709 999.9900 999.9900 999.9900 -1.0172 -.0731 -.0676 .6235 .3163 .1024 18 SER 18 -.6561 999.9900 .3727 999.9900 .3425 .0197 .2980 .5407 .4396 .1795 19 ASP 19 -1.5212 -1.0518 999.9900 999.9900 -.4783 -1.0171 -.7704 .5163 -.0198 -.6611 20 ILE 20 -.4035 .6227 999.9900 999.9900 .3195 .1796 .1822 .2227 .2058 .1887 21 GLY 21 -.7504 999.9900 999.9900 999.9900 -.0631 -.4067 .6051 .2437 .4043 .0088 22 PRO 22 -.2605 999.9900 999.9900 999.9900 -.0243 -.1424 -1.7414 .1686 -.6272 -.4644 23 LYS 23 -.2345 .7568 999.9900 .6906 -.4892 .2829 .0291 -.0716 -.0296 .1960 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .4999 -.1640 .1449 .6055 .4136 .1056 25 PHE 25 .2013 -.5590 999.9900 999.9900 -.3041 -.2206 -.1664 -.0327 -.0884 -.1722 26 PRO 26 .5449 999.9900 999.9900 999.9900 .2426 .3938 -.4317 .1838 -.0727 .1349 27 ASP 27 .6201 -.2599 999.9900 999.9900 .5431 .3011 .6462 .1987 .3852 .3496 28 ALA 28 -.9755 999.9900 999.9900 999.9900 .0817 -.4469 .5020 .5844 .5501 .0482 29 THR 29 .0286 999.9900 .0483 999.9900 .6695 .2488 .5091 .5496 .5327 .3610 30 THR 30 -.1761 999.9900 .0483 999.9900 .4476 .1066 .6041 .5968 .5999 .3041 31 VAL 31 .5660 999.9900 .4980 999.9900 -.3121 .2506 .4637 .6115 .5499 .3654 32 SER 32 .9076 999.9900 -.7153 999.9900 .5740 .2554 .5557 .5463 .5503 .3737 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .6027 .6600 .6361 .2927 34 LEU 34 .9913 .3419 999.9900 999.9900 -.0758 .4191 .0681 -.0347 .0081 .2582 35 LYS 35 1.0838 -.1469 999.9900 -.0397 .0060 .1727 .6481 .4493 .5321 .2801 36 GLU 36 .8604 .6194 999.9900 .3501 .1264 .4891 .6661 .6956 .6833 .5530 37 THR 37 1.2375 999.9900 .4804 999.9900 -.3332 .4615 .4072 .6281 .5361 .4840 38 VAL 38 .8065 999.9900 .8662 999.9900 .7810 .8179 .4457 .6528 .5665 .7104 39 ILE 39 .4667 .2838 999.9900 999.9900 .5300 .4268 .2918 .6138 .4797 .4372 40 SER 40 .8651 999.9900 -.0289 999.9900 .5215 .4526 .4029 .5526 .4902 .4626 41 GLU 41 .1025 .4305 999.9900 -1.0323 .2491 -.0625 .5777 .6857 .6407 .1689 42 TRP 42 -.1038 .0906 999.9900 999.9900 .8342 .2737 .6346 .2533 .4122 .3418 43 PRO 43 -2.2066 999.9900 999.9900 999.9900 -.6674 -1.4370 .5951 .4028 .4829 -.4690 44 ARG 44 .8469 .7078 999.9900 .1593 -.1565 .3434 .2729 .5959 .4613 .3694 45 GLU 45 -.4919 .8332 999.9900 -1.0323 -.1261 -.2043 .4115 .3846 .3958 -.0035 46 LYS 46 -3.5196 .9554 999.9900 -.4035 -2.0338 -1.0810 -.4889 .4354 .0503 -.7798 47 GLU 47 -1.0793 .4305 999.9900 -1.0323 .1264 -.3887 -.4204 .4482 .0863 -.2545 48 ASN 48 -.7903 -1.5725 999.9900 999.9900 .7224 -.5468 -.4945 .3597 .0038 -.3550 49 GLY 49 -.5142 999.9900 999.9900 999.9900 -.1733 -.3438 -1.3287 .3458 -.3984 -.4176 50 PRO 50 -.6122 999.9900 999.9900 999.9900 .1827 -.2147 .4584 .5293 .4998 .1396 51 LYS 51 -3.5196 .8340 999.9900 .3240 -1.2036 -.6482 -.1092 .5589 .2805 -.3988 52 THR 52 -.7170 999.9900 .8779 999.9900 .3342 .1650 .1767 .1635 .1690 .1671 53 VAL 53 .5660 999.9900 -1.0788 999.9900 -.8010 -.4379 .3373 .5381 .4545 -.0877 54 LYS 54 .6780 -2.1617 999.9900 -.0770 .8827 -.1510 .5332 .3850 .4468 .0233 55 GLU 55 -1.3476 -.9977 999.9900 -1.0323 -.3984 -.9440 .4937 -.4106 -.0338 -.6155 56 VAL 56 -.1406 999.9900 -.2457 999.9900 .5258 .0465 .0281 .5051 .3064 .1346 57 LYS 57 -.2512 .1761 999.9900 .6812 -.6710 .1233 .4770 .5419 .5149 .2336 58 LEU 58 -.0536 -2.7185 999.9900 999.9900 .3648 -.8024 -.1858 -.0587 -.1116 -.5303 59 ILE 59 .5210 -1.6252 999.9900 999.9900 .3195 -.2615 -.1176 .5298 .2600 -.0745 60 SER 60 -.7578 999.9900 .6576 999.9900 .7576 .2191 .2143 .5505 .4104 .2844 61 ALA 61 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .5997 .3754 .4689 -.1580 62 GLY 62 .7683 999.9900 999.9900 999.9900 .0351 .4017 .1936 .6687 .4575 .4164 63 LYS 63 -.1665 .7020 999.9900 .7677 -1.4057 .1330 .4674 .4751 .4719 .2297 64 VAL 64 -.3161 999.9900 -1.0788 999.9900 -1.3636 -.9195 -.2756 .2202 .0136 -.5628 65 LEU 65 -.4371 -2.1315 999.9900 999.9900 .9730 -.5319 .1058 .3686 .2591 -.2243 66 GLU 66 -.5440 -2.8418 999.9900 -1.0323 -1.8950 -1.5783 .2636 -.2026 -.0084 -1.0420 67 ASN 67 .7786 -1.4522 999.9900 999.9900 -.1777 -.2838 .1370 -.0440 .0314 -.1517 68 SER 68 .4533 999.9900 -.0289 999.9900 .5740 .3328 .4194 .4511 .4379 .3738 69 LYS 69 -.3811 .0031 999.9900 1.0822 -.3378 .2897 .2650 .3598 .3203 .2962 70 THR 70 -.3846 999.9900 .4804 999.9900 .7246 .2734 .1235 .5036 .3452 .2895 71 VAL 71 .7683 999.9900 .6672 999.9900 .6734 .7030 -.1754 .5702 .2595 .5007 72 LYS 72 .6780 -.4905 999.9900 -.0770 -.4892 -.0911 .2695 .3217 .2999 .0194 73 ASP 73 1.3227 .4694 999.9900 999.9900 .1786 .6569 .4968 .2767 .3684 .5489 74 TYR 74 -.2520 -.7135 999.9900 999.9900 .5127 -.1509 -.7280 .1802 -.1982 -.2001 75 ARG 75 -.3457 .7078 999.9900 .1593 .5640 .2489 -.8937 .1536 -.2828 .0721 76 SER 76 .1093 999.9900 -.7153 999.9900 -.0193 -.2085 .0877 .4793 .3161 -.0117 77 PRO 77 -1.5515 999.9900 999.9900 999.9900 -.6674 -1.1095 .3899 .6605 .5477 -.2921 78 VAL 78 -4.3409 999.9900 .9224 999.9900 .1768 -1.0806 -.3313 .3373 .0587 -.6472 79 SER 79 -2.7213 999.9900 .3727 999.9900 .0747 -.7580 .2264 .5585 .4201 -.2978 80 ASN 80 -.0091 .7281 999.9900 999.9900 -.0996 .2065 .0536 .6044 .3749 .2555 81 LEU 81 -.3896 -1.4996 999.9900 999.9900 .9565 -.3109 -3.9596 .4094 -1.4111 -.8966 82 ALA 82 -2.2766 999.9900 999.9900 999.9900 .1657 -1.0554 .1277 .4197 .2980 -.3909 83 GLY 83 .5273 999.9900 999.9900 999.9900 .7185 .6229 .4133 .6916 .5679 .5877 84 ALA 84 -.9001 999.9900 999.9900 999.9900 -.7624 -.8313 .2840 .6935 .5229 -.1713 85 VAL 85 -.2674 999.9900 .8055 999.9900 -.2503 .0959 -.9625 .5988 -.0518 -.0152 86 THR 86 -.2319 999.9900 1.0667 999.9900 .1092 .3147 -.9185 .5509 -.0614 .1153 87 THR 87 .0164 999.9900 .4804 999.9900 .6695 .3888 -.0632 .4549 .2390 .3116 88 MET 88 -.1902 .8830 999.9900 .9587 -.8385 .2033 .1657 .4218 .3151 .2334 89 HIS 89 -.2681 .2086 999.9900 999.9900 .5967 .1791 -.5822 .4516 .0209 .0813 90 VAL 90 .2313 999.9900 .9747 999.9900 -.1376 .3561 -2.8303 .3040 -1.0020 -.2916 91 ILE 91 -.3198 -.0177 999.9900 999.9900 .5300 .0641 -1.5047 .2380 -.4881 -.2149 92 ILE 92 -.4647 -.0177 999.9900 999.9900 .5300 .0158 -.8409 .5316 -.0403 -.0523 93 GLN 93 -.1803 1.1250 999.9900 1.3059 -.7286 .3805 -1.2251 .4062 -.2735 .1172 94 ALA 94 -1.2072 999.9900 999.9900 999.9900 -.4068 -.8070 .5701 .6346 .6077 -.1023 95 PRO 95 .4197 999.9900 999.9900 999.9900 .8563 .6380 .0296 .6140 .3705 .4799 96 VAL 96 -3.0988 999.9900 .1416 999.9900 .5776 -.7932 -.1314 .4183 .1893 -.4185 97 THR 97 -3.6133 999.9900 .2916 999.9900 .6695 -.8841 -.0617 .4135 .2155 -.4601 98 GLU 98 -1.4621 -.3559 999.9900 -1.0323 .1264 -.6810 .5942 .5739 .5824 -.2593 99 LYS 99 -3.5196 .4325 999.9900 .5131 -2.6618 -.9445 .4495 .6190 .5484 -.5220 100 GLU 100 -2.1524 .6194 999.9900 -1.0323 .6899 -.4689 .6222 .0543 .2909 -.1998 101 LYS 101 999.9900 1.1488 999.9900 .8043 999.9900 .9192 .6875 .2734 .4509 .7437 Means: -.4476 -.2164 .1556 .0877 .0288 -.1393 -.0041 .4236 .2447 -.0049 2.00 refined_17