1 GLU 1 999.9900 -.2670 999.9900 .3501 .2491 .1107 -.2029 .3884 .1196 .1035 2 ALA 2 -1.8806 999.9900 999.9900 999.9900 .6708 -.6049 .3113 .6253 .4945 -.0683 3 GLU 3 -.6811 -.2670 999.9900 -1.0323 -.4821 -.6156 .5051 .5374 .5239 -.2367 4 VAL 4 -3.2710 999.9900 -1.0788 999.9900 .6959 -1.2179 -1.0473 -.7865 -.8952 -1.0975 5 HIS 5 -3.0884 1.3140 999.9900 999.9900 .3381 -.4788 .1011 -2.0904 -1.1773 -.6851 6 ASN 6 -3.4329 -.4258 999.9900 999.9900 .3127 -1.1820 .4123 -.1330 .0942 -.6533 7 GLN 7 -2.2003 -.7562 999.9900 1.3059 .9038 -.1867 .2892 .3768 .3403 -.0135 8 LEU 8 -.0411 -2.9612 999.9900 999.9900 .4504 -.8506 .1613 -.0416 .0429 -.4864 9 GLU 9 -.5578 .8793 999.9900 -1.0323 .7127 .0005 -.6396 .5280 .0415 -.0183 10 ILE 10 .3059 .6227 999.9900 999.9900 .5300 .4862 .1420 .5976 .4078 .4396 11 LYS 11 -.1867 .7020 999.9900 -.4035 -.6710 -.1926 -.3314 .4548 .1272 -.1199 12 PHE 12 -.2560 .9147 999.9900 999.9900 .1482 .2690 -.1162 .5846 .2926 .2551 13 ARG 13 -.5160 -.2334 999.9900 .1593 -1.3564 -.3574 -.4728 .3090 -.0167 -.2787 14 LEU 14 -.5702 .5280 999.9900 999.9900 .7949 .2509 .4446 .5738 .5199 .3542 15 THR 15 .2928 999.9900 -.8810 999.9900 .2056 -.1275 .3075 .3191 .3142 .0488 16 ASP 16 .3371 -1.0518 999.9900 999.9900 .5431 -.0572 .5236 .6438 .5937 .1991 17 GLY 17 .1996 999.9900 999.9900 999.9900 -1.2432 -.5218 .0914 .5995 .3737 -.0882 18 SER 18 -.3889 999.9900 1.0592 999.9900 .3749 .3484 .4100 .5928 .5166 .4096 19 ASP 19 -1.2415 -2.4630 999.9900 999.9900 -2.2874 -1.9973 -.9477 .3244 -.2056 -1.3230 20 ILE 20 .4877 .6227 999.9900 999.9900 .4509 .5204 .2698 .2412 .2531 .4145 21 GLY 21 -.8495 999.9900 999.9900 999.9900 .0351 -.4072 .5691 .5286 .5466 .0709 22 PRO 22 -.2296 999.9900 999.9900 999.9900 .2426 .0065 -.1565 .1018 -.0058 -.0104 23 LYS 23 -.2799 -2.9005 999.9900 .3546 -.2707 -.5484 -.0007 -.3970 -.2319 -.4485 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .3833 .6718 .5516 .1929 25 PHE 25 -.0168 .3647 999.9900 999.9900 -.3041 .0146 -.4835 .2092 -.0794 -.0461 26 PRO 26 .4197 999.9900 999.9900 999.9900 .2989 .3593 .5352 .6048 .5758 .4647 27 ASP 27 .8349 -1.5469 999.9900 999.9900 .1337 -.1928 .3847 .4377 .4156 .0488 28 ALA 28 -.6970 999.9900 999.9900 999.9900 .6227 -.0371 .2017 .6703 .4751 .1995 29 THR 29 -.6474 999.9900 -.8810 999.9900 .6112 -.3057 -.0369 .3713 .2012 -.1166 30 THR 30 -.1761 999.9900 -.8810 999.9900 .4476 -.2032 .3155 .6152 .4903 .0642 31 VAL 31 -.2793 999.9900 .8662 999.9900 -.3121 .0916 .5345 .5993 .5723 .2817 32 SER 32 .9076 999.9900 .3727 999.9900 .1597 .4800 .1748 .5368 .3860 .4303 33 ALA 33 .9879 999.9900 999.9900 999.9900 -.2694 .3592 .6582 .6752 .6681 .5129 34 LEU 34 .2355 -.2851 999.9900 999.9900 -.1229 -.0575 -.1206 .1496 .0370 -.0287 35 LYS 35 1.2214 -.6595 999.9900 -.4035 -.3378 -.1166 .0909 .1727 .1386 -.0456 36 GLU 36 1.0761 .6687 999.9900 .3501 .2101 .5762 .6651 .6278 .6433 .5996 37 THR 37 1.2375 999.9900 1.0667 999.9900 .6112 .9718 .4730 .5943 .5438 .7965 38 VAL 38 .9834 999.9900 .2799 999.9900 -.8010 .1541 .3091 .5374 .4423 .2618 39 ILE 39 .2963 .8778 999.9900 999.9900 1.0081 .7274 .4809 .2045 .3196 .5735 40 SER 40 .8760 999.9900 -.7153 999.9900 .5740 .2449 .4826 .6557 .5835 .3746 41 GLU 41 -1.1499 1.2631 999.9900 .3501 .4218 .2213 -.9844 .6320 -.0415 .0888 42 TRP 42 -.1038 -.1373 999.9900 999.9900 .8342 .1977 .4743 .1631 .2928 .2461 43 PRO 43 -.2296 999.9900 999.9900 999.9900 .1827 -.0234 -.4007 .6717 .2249 .0560 44 ARG 44 .8354 1.0644 999.9900 .1593 .6728 .5782 .5675 .5088 .5332 .5668 45 GLU 45 -.7937 -.3402 999.9900 -1.0323 -1.5390 -.9263 .5210 .5346 .5289 -.4416 46 LYS 46 -1.7715 -2.9005 999.9900 1.1353 -2.6618 -1.0127 -.0510 -.2619 -.1741 -.7680 47 GLU 47 -.6811 .6687 999.9900 -1.0323 -1.2865 -.5828 -.5236 .0948 -.1629 -.4600 48 ASN 48 -2.8943 1.1578 999.9900 999.9900 .5940 -.3809 .2265 .0883 .1459 -.1655 49 GLY 49 -2.2927 999.9900 999.9900 999.9900 .8277 -.7325 .2753 .4302 .3614 -.1899 50 PRO 50 -2.4417 999.9900 999.9900 999.9900 -.1050 -1.2734 -.0297 .5607 .3147 -.5039 51 LYS 51 -3.5196 .1761 999.9900 -.0397 -1.6664 -1.0179 .6111 .5317 .5648 -.5638 52 THR 52 -.2075 999.9900 .2916 999.9900 -1.1761 -.3640 .4301 .4976 .4695 -.0329 53 VAL 53 -.0404 999.9900 -1.0788 999.9900 -1.1891 -.7694 .1023 -.3202 -.1442 -.5052 54 LYS 54 .0670 1.1488 999.9900 -.4035 -1.4057 -.1994 .6423 .6609 .6532 .0438 55 GLU 55 -.3012 -.0067 999.9900 -1.0323 .3223 -.2545 -.2030 .5721 .2491 -.1081 56 VAL 56 .4158 999.9900 .8055 999.9900 -1.5772 -.1186 .3115 .1630 .2249 .0237 57 LYS 57 -.3038 1.0637 999.9900 .3240 -.2082 .2400 .2070 .3325 .2802 .2485 58 LEU 58 -.0536 -2.3037 999.9900 999.9900 -1.2350 -1.1974 -.8878 -.9716 -.9366 -1.0903 59 ILE 59 -.1241 .6227 999.9900 999.9900 .7362 .4116 .0252 .5831 .3506 .3686 60 SER 60 -.4057 999.9900 -.7153 999.9900 .1597 -.3204 .4102 .5152 .4714 -.0072 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .8416 -.6838 .4475 .4584 .4538 -.1154 62 GLY 62 .6263 999.9900 999.9900 999.9900 .5429 .5846 .5070 .5708 .5425 .5618 63 LYS 63 -.2075 -1.6955 999.9900 1.0171 -.5755 -.0889 -.7786 .4146 -.0825 -.1155 64 VAL 64 -.4842 999.9900 -1.0788 999.9900 -.0367 -.5332 -.6788 .3148 -.0992 -.3927 65 LEU 65 -.1836 -1.8410 999.9900 999.9900 -.7775 -.9340 -.0036 .6681 .3882 -.4275 66 GLU 66 -.5440 .7809 999.9900 .3501 -.6780 -.0228 .1086 .4879 .3298 .0842 67 ASN 67 .6639 -2.0766 999.9900 999.9900 .6605 -.2507 .4328 .5397 .4951 .0441 68 SER 68 .4640 999.9900 -.7153 999.9900 .3425 .0304 .2898 .4955 .4098 .1753 69 LYS 69 -.9723 1.1488 999.9900 .4778 -.4103 .1444 -.0169 .5190 .2957 .1748 70 THR 70 -.5003 999.9900 -.8810 999.9900 .3342 -.3490 .4357 .2271 .3141 -.0769 71 VAL 71 1.0462 999.9900 .9224 999.9900 .6734 .8806 .4536 .5667 .5196 .7325 72 LYS 72 -.1232 .8340 999.9900 1.3809 -.4103 .6125 .5886 .4043 .4811 .5793 73 ASP 73 1.3227 -.7325 999.9900 999.9900 -.2530 .1124 .4314 .5765 .5161 .2691 74 TYR 74 -.5975 .2608 999.9900 999.9900 .2769 -.0199 .4994 .5873 .5507 .2054 75 ARG 75 -2.0927 .0684 999.9900 .1593 -1.0907 -.5593 .0554 .2938 .1945 -.3496 76 SER 76 .1093 999.9900 -.0289 999.9900 .1994 .0933 .0868 .2815 .2004 .1296 77 PRO 77 -.7236 999.9900 999.9900 999.9900 -1.6867 -1.2052 .5894 .0549 .2776 -.4415 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .4989 -1.6403 -.4249 -1.3693 -.9758 -1.3430 79 SER 79 -2.7213 999.9900 -.7153 999.9900 .4364 -1.0001 .4891 .2914 .3738 -.4439 80 ASN 80 -3.4329 .4888 999.9900 999.9900 -.1777 -1.0406 .4248 .2802 .3405 -.4833 81 LEU 81 -1.1383 .8730 999.9900 999.9900 .8331 .1893 -1.2180 .3704 -.2914 -.0560 82 ALA 82 -2.3529 999.9900 999.9900 999.9900 .5367 -.9081 -1.5215 .2677 -.4778 -.7675 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 -.2133 -1.8498 .2334 .4360 .3460 -.7576 84 ALA 84 -.3936 999.9900 999.9900 999.9900 -.0105 -.2021 .1542 .6244 .4285 .0936 85 VAL 85 -.1473 999.9900 .6672 999.9900 .5258 .3486 -.2928 .6227 .2412 .2751 86 THR 86 -.0475 999.9900 .8779 999.9900 .1092 .3132 .1994 .3707 .2993 .3020 87 THR 87 .0164 999.9900 -.2947 999.9900 -.3332 -.2038 -.5677 .4971 .0534 -.1364 88 MET 88 -.3657 -.1672 999.9900 .9587 .9122 .3345 -.0252 .3281 .1809 .2735 89 HIS 89 -.8113 1.1349 999.9900 999.9900 .6686 .3307 -.0519 .5325 .2890 .2946 90 VAL 90 .2313 999.9900 .8662 999.9900 .2505 .4493 -.9045 .2404 -.2366 .1368 91 ILE 91 -.3198 -.0177 999.9900 999.9900 -1.7278 -.6884 -1.6009 .1924 -.5548 -.6947 92 ILE 92 -.3198 -.0177 999.9900 999.9900 -2.1444 -.8273 -1.1467 .6832 -.0793 -.5891 93 GLN 93 -.5047 .5350 999.9900 1.3059 -2.2865 -.2376 -1.3003 .2277 -.4090 -.3372 94 ALA 94 -1.0292 999.9900 999.9900 999.9900 -.6283 -.8288 .0119 .6680 .3946 -.2444 95 PRO 95 -3.0630 999.9900 999.9900 999.9900 -.5244 -1.7937 -.2855 .5251 .1873 -.8370 96 VAL 96 -2.8391 999.9900 -1.0788 999.9900 .4989 -1.1397 -.3786 .2171 -.0311 -.7161 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .6695 -1.4727 -1.1238 .1241 -.3959 -1.0836 98 GLU 98 -.4615 .6046 999.9900 -1.0323 -2.5035 -.8482 .2577 .2753 .2680 -.4766 99 LYS 99 -1.8261 1.1776 999.9900 .8261 .1791 .2366 -1.3470 .2167 -.4348 .0075 100 GLU 100 -2.2616 .8034 999.9900 -1.0323 .7127 -.4445 -.7472 .3772 -.0913 -.3580 101 LYS 101 999.9900 1.1488 999.9900 .9312 999.9900 1.0038 .0095 .2672 .1568 .6576 Means: -.6873 -.0279 -.1818 .2067 -.1044 -.2333 -.0065 .3336 .1914 -.0801 2.00 refined_14