1 GLU 1 999.9900 -2.1111 999.9900 .3501 .6899 -.3570 .6727 .5058 .5816 .0215 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6656 .3150 .4611 -.0682 3 GLU 3 -2.2616 -1.2470 999.9900 .3501 .6899 -.6171 .6731 .5198 .5837 -.2126 4 VAL 4 -3.0988 999.9900 -1.0788 999.9900 .7810 -1.1322 .6576 .1273 .3482 -.5223 5 HIS 5 -3.0884 -.4813 999.9900 999.9900 .6686 -.9670 .6752 .3117 .4631 -.3828 6 ASN 6 -.9968 -.8278 999.9900 999.9900 .7518 -.3576 .6798 .3847 .5076 -.0017 7 GLN 7 -1.5899 -1.3908 999.9900 1.3059 .5113 -.2909 .6770 .5132 .5815 .0045 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6774 .1651 .3786 -.1648 9 GLU 9 -.4497 -2.1111 999.9900 -1.0323 .6899 -.7258 .6776 .5158 .5832 -.2850 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6607 .0441 .3010 .3184 11 LYS 11 -.2023 -1.1755 999.9900 -.4035 .7460 -.2878 .6775 .1625 .3771 -.0855 12 PHE 12 .0966 -1.9363 999.9900 999.9900 .7573 -.3608 .6755 .1054 .3429 -.0603 13 ARG 13 -.4063 -2.8571 999.9900 .1593 .8581 -.4173 .6791 .5254 .5894 -.1260 14 LEU 14 -.4282 -.6965 999.9900 999.9900 .9565 -.0561 .6743 .1650 .3772 .1342 15 THR 15 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6607 -.2564 .1257 .0205 16 ASP 16 .0771 -3.7306 999.9900 999.9900 .8104 -.9477 .6749 .3725 .4985 -.3592 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5720 .4722 .5166 .6147 18 SER 18 -.3889 999.9900 -.0289 999.9900 .6705 .0843 .6816 .5342 .5956 .2937 19 ASP 19 -.9509 -1.3712 999.9900 999.9900 .8104 -.5039 .6764 .3851 .5065 -.0900 20 ILE 20 .1597 .9074 999.9900 999.9900 .6034 .5568 .6626 .0464 .3031 .4759 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3545 .4812 .4248 .0898 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5526 -.3790 .0091 .2494 23 LYS 23 -.3414 -1.6955 999.9900 -.4035 .7460 -.4196 .6783 .1419 .3654 -.1825 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6559 .3128 .4558 .2217 25 PHE 25 -.2058 .0765 999.9900 999.9900 .7573 .2094 .5112 .0985 .2705 .2476 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5499 -.3771 .0091 .2605 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6782 .3887 .5093 -.1377 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6708 .3264 .4699 .2170 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6513 -.2511 .1249 -.0836 30 THR 30 -.5003 999.9900 -.8810 999.9900 .4476 -.3112 .6595 -.2451 .1318 -.1039 31 VAL 31 .7683 999.9900 .7395 999.9900 .7810 .7630 .6544 .1191 .3421 .6125 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6729 .5285 .5887 .3983 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6654 .3176 .4625 .5231 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6766 .1533 .3713 -.1422 35 LYS 35 .8536 -2.1617 999.9900 -.4035 .7460 -.2738 .6779 .1444 .3667 -.0781 36 GLU 36 1.0761 -1.5476 999.9900 -1.0323 .6899 -.2035 .6771 .5315 .5922 .0658 37 THR 37 .9379 999.9900 .6346 999.9900 .4476 .6734 .6519 -.2474 .1273 .4849 38 VAL 38 .3041 999.9900 .1416 999.9900 .7810 .4089 .6610 .1227 .3470 .4021 39 ILE 39 .0556 .6122 999.9900 999.9900 .6034 .4237 .6650 .0444 .3029 .3961 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6762 .5270 .5892 .4069 41 GLU 41 -.4919 -1.4588 999.9900 -1.0323 .6899 -.5733 .6784 .5265 .5898 -.1814 42 TRP 42 -.1038 -3.3859 999.9900 999.9900 .9378 -.8506 .4880 .1986 .3192 -.3731 43 PRO 43 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5456 -.3551 .0202 .2650 44 ARG 44 .6655 -2.8571 999.9900 .1593 .8581 -.2030 .6752 .5266 .5885 .0267 45 GLU 45 -.5578 -.2533 999.9900 -1.0323 .6899 -.2884 .6677 .5155 .5789 .0050 46 LYS 46 -3.5196 -2.1617 999.9900 -.0397 .7460 -1.0029 .6801 .1408 .3655 -.5991 47 GLU 47 -1.1136 -.7564 999.9900 1.7325 .6899 .1381 .6729 .5117 .5789 .2895 48 ASN 48 -.9968 -.3904 999.9900 999.9900 .7518 -.2118 .6801 .3804 .5053 .0850 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3362 .4785 .4152 -.4709 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5306 -.3735 .0032 -.1399 51 LYS 51 -3.5196 -1.5918 999.9900 .1731 .7460 -.8039 .6770 .1630 .3772 -.4542 52 THR 52 .2328 999.9900 .0483 999.9900 .4476 .2429 .6590 -.2505 .1284 .2274 53 VAL 53 -.8511 999.9900 -1.0788 999.9900 .7810 -.3829 .6554 .1273 .3473 -.0732 54 LYS 54 .1686 -.9951 999.9900 -.0397 .7460 -.0320 .6727 .1598 .3735 .0961 55 GLU 55 -2.0601 -1.1891 999.9900 .3501 .6899 -.5523 .6795 .5173 .5849 -.1687 56 VAL 56 .0429 999.9900 -.5532 999.9900 .7810 .0903 .6606 .1066 .3375 .2076 57 LYS 57 -.2512 .0713 999.9900 -.4035 .7460 -.0482 .6742 .1493 .3680 .0832 58 LEU 58 -.0977 -3.3760 999.9900 999.9900 .9565 -.8391 .6800 .1595 .3764 -.3355 59 ILE 59 .1962 .0348 999.9900 999.9900 .6034 .2781 .6643 .0519 .3071 .3101 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6777 .5297 .5913 -.0099 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6646 .3170 .4618 -.0137 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5900 .4736 .5253 .5948 63 LYS 63 -.2023 -1.8181 999.9900 -.4035 .7460 -.4163 .6829 .1560 .3755 -.1775 64 VAL 64 -.4192 999.9900 -.5532 999.9900 .7810 -.0638 .6596 .1245 .3475 .1186 65 LEU 65 -.6213 -3.3760 999.9900 999.9900 .9565 -1.0136 .6662 .1549 .3679 -.4439 66 GLU 66 -.5790 -1.4588 999.9900 -1.0323 .6899 -.5951 .6777 .5251 .5887 -.1962 67 ASN 67 .6639 -1.8756 999.9900 999.9900 .7518 -.1533 .6767 .3855 .5068 .1205 68 SER 68 .4533 999.9900 -.7153 999.9900 .6705 .1362 .6790 .5299 .5920 .3235 69 LYS 69 -.8956 .6283 999.9900 .5368 .7460 .3105 .6800 .1465 .3688 .3398 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6537 -.2536 .1245 -.0404 71 VAL 71 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6520 .1268 .3456 .2094 72 LYS 72 .6751 .3574 999.9900 -.4035 .7460 .1943 .6772 .1678 .3801 .2595 73 ASP 73 .2251 -3.1847 999.9900 999.9900 .8104 -.7164 .6753 .3847 .5058 -.2178 74 TYR 74 -1.0804 -4.1972 999.9900 999.9900 .5630 -1.5716 .6771 -.1612 .1881 -.8397 75 ARG 75 -.4155 -2.8571 999.9900 .1593 .8581 -.4192 .6743 .5257 .5876 -.1280 76 SER 76 .2494 999.9900 -.7153 999.9900 .6705 .0682 .4894 .5277 .5117 .2443 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5471 -.3639 .0157 .1612 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6557 .1291 .3485 -.7708 79 SER 79 -.8144 999.9900 -.7153 999.9900 .6705 -.2864 .6760 .5337 .5930 .0701 80 ASN 80 -3.4329 -.6268 999.9900 999.9900 .7518 -1.1026 .6738 .3749 .4995 -.4518 81 LEU 81 -3.7702 -2.7185 999.9900 999.9900 .9565 -1.8441 .6748 .1631 .3763 -.9389 82 ALA 82 -1.5816 999.9900 999.9900 999.9900 .7458 -.4179 .6617 .3326 .4697 .0396 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5775 .4699 .5178 -.4127 84 ALA 84 -1.1448 999.9900 999.9900 999.9900 .7458 -.1995 .6671 .3120 .4599 .1450 85 VAL 85 -.3682 999.9900 .8055 999.9900 .7810 .4061 .6526 .1188 .3412 .3980 86 THR 86 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6486 -.2566 .1205 .0590 87 THR 87 .2184 999.9900 .4804 999.9900 .4476 .3821 .6621 -.2407 .1355 .3135 88 MET 88 -.3206 -2.0676 999.9900 .9587 .5203 -.2273 .6728 .5154 .5810 .0465 89 HIS 89 -.4125 -.9211 999.9900 999.9900 .6686 -.2217 .6801 .3193 .4697 .0669 90 VAL 90 -.3909 999.9900 .5873 999.9900 .7810 .3258 .6549 .1157 .3404 .3496 91 ILE 91 .3059 -3.0500 999.9900 999.9900 .6034 -.7136 .6567 .0317 .2922 -.2905 92 ILE 92 .3408 -1.6751 999.9900 999.9900 .6034 -.2436 .6569 .0535 .3049 -.0041 93 GLN 93 -1.2769 -1.0287 999.9900 1.3059 .5113 -.1221 .6773 .5172 .5839 .1177 94 ALA 94 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .4765 .3192 .3847 .2054 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5242 -.3800 -.0032 .0743 96 VAL 96 -2.9581 999.9900 -1.0788 999.9900 .7810 -1.0853 .6542 .1142 .3392 -.4975 97 THR 97 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6639 -.2476 .1322 -.1176 98 GLU 98 -1.9801 -.2810 999.9900 -1.0323 .6899 -.6509 .6755 .5212 .5855 -.2345 99 LYS 99 -3.0472 -.9951 999.9900 -.4035 .7460 -.8207 .6794 .1499 .3705 -.4677 100 GLU 100 -2.1524 -.5578 999.9900 -1.0323 .6899 -.7632 .6750 .5173 .5830 -.3101 101 LYS 101 999.9900 -.7632 999.9900 .5368 999.9900 .1035 .6814 -.0343 .2725 .1915 Means: -.6434 -1.5071 -.4693 -.0735 .6979 -.2852 .6475 .2060 .3906 -.0120 2.00 analyzed_14