1 GLU 1 999.9900 -2.8418 999.9900 .3501 .6899 -.6006 .6752 .5168 .5888 -.1220 2 ALA 2 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6712 .3237 .4685 .2268 3 GLU 3 -3.2255 -.9977 999.9900 -1.0323 .6899 -1.1414 .6779 .5198 .5857 -.5613 4 VAL 4 -1.9553 999.9900 -1.0788 999.9900 .7810 -.7510 .6576 .1136 .3402 -.2964 5 HIS 5 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6742 .3346 .4761 -.6279 6 ASN 6 -2.3558 -1.3461 999.9900 999.9900 .7518 -.9834 .6791 .3877 .5091 -.3767 7 GLN 7 -3.1236 -.5355 999.9900 1.3059 .5113 -.4605 .6779 .5129 .5817 -.1085 8 LEU 8 -.0766 -2.7185 999.9900 999.9900 .9565 -.6129 .6791 .1493 .3701 -.2020 9 GLU 9 -.4497 -2.8418 999.9900 .3501 .6899 -.5629 .6763 .5222 .5864 -.1755 10 ILE 10 .1962 -.2124 999.9900 999.9900 .6034 .1957 .6555 .0460 .3000 .2577 11 LYS 11 -.1765 -2.9005 999.9900 -.4035 .7460 -.6276 .6731 .1452 .3651 -.3314 12 PHE 12 .0966 .9147 999.9900 999.9900 .7573 .5895 .6751 .1021 .3408 .5092 13 ARG 13 -.5160 -2.3766 999.9900 .1593 .8581 -.3432 .6764 .5185 .5843 -.0744 14 LEU 14 -2.0617 -3.3760 999.9900 999.9900 .9565 -1.4937 .6771 .1525 .3711 -.7303 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6568 -.2559 .1244 .0895 16 ASP 16 .1722 -1.2611 999.9900 999.9900 .8104 -.0928 .6716 .3752 .4987 .1537 17 GLY 17 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .5734 .4616 .5113 .7420 18 SER 18 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .6767 .5330 .5929 .2297 19 ASP 19 -1.0681 -2.0928 999.9900 999.9900 .8104 -.7835 .6829 .3829 .5079 -.2569 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6526 .0457 .2986 -.3947 21 GLY 21 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .3523 .4684 .4168 -.1085 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5435 -.3631 .0146 .2511 23 LYS 23 -.3414 -1.9682 999.9900 -.0397 .7460 -.3286 .6748 .1465 .3667 -.1174 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6662 .3160 .4619 .2250 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4895 .1091 .2676 .1870 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5467 -.3601 .0177 .2640 27 ASP 27 .2994 .7669 999.9900 999.9900 .8104 .6256 .6700 .3753 .4981 .5844 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6712 .3244 .4689 .2932 29 THR 29 .0286 999.9900 -.8810 999.9900 .4476 -.1349 .6657 -.2541 .1291 .0013 30 THR 30 -.0745 999.9900 -.8810 999.9900 .4476 -.1693 .6530 -.2521 .1250 -.0214 31 VAL 31 -.8511 999.9900 -.0276 999.9900 .7810 -.0325 .6624 .1206 .3464 .1371 32 SER 32 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6784 .5269 .5900 .4503 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6625 .3247 .4655 .2837 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6788 .1562 .3740 -.1412 35 LYS 35 .6780 -1.5020 999.9900 -.4035 .7460 -.1770 .6761 .1486 .3684 -.0086 36 GLU 36 .5470 -1.6501 999.9900 -1.0323 .6899 -.3614 .6726 .5093 .5773 -.0439 37 THR 37 .2928 999.9900 -.8810 999.9900 .4476 -.0469 .6581 -.2536 .1263 .0528 38 VAL 38 .5660 999.9900 .5873 999.9900 .7810 .6448 .6594 .1211 .3454 .5430 39 ILE 39 1.0067 .2838 999.9900 999.9900 .6034 .6313 .6587 .0402 .2979 .5185 40 SER 40 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6746 .5297 .5901 .4692 41 GLU 41 .8171 -1.4588 999.9900 -1.0323 .6899 -.2460 .6775 .5262 .5893 .0366 42 TRP 42 -.0620 -1.3095 999.9900 999.9900 .9378 -.1446 .4694 .1816 .3015 .0434 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5405 -.3653 .0121 -.1971 44 ARG 44 .2784 -.9796 999.9900 .7862 .8581 .3459 .6731 .5226 .5853 .4179 45 GLU 45 -.1289 -1.9198 999.9900 -1.0323 .6899 -.5978 .6824 .5235 .5897 -.1975 46 LYS 46 -3.5196 -2.9005 999.9900 -.4035 .7460 -1.2962 .6724 .1586 .3727 -.8072 47 GLU 47 -.6897 -2.8418 999.9900 .3501 .6899 -.6229 .6751 .5253 .5878 -.2152 48 ASN 48 -3.4329 -1.8756 999.9900 999.9900 .7518 -1.5189 .6789 .3904 .5106 -.6975 49 GLY 49 .1407 999.9900 999.9900 999.9900 .7883 .4645 .3196 .4675 .4018 .4290 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5377 -.3637 .0119 .0818 51 LYS 51 -3.5196 -1.9682 999.9900 -.4035 .7460 -1.1098 .6747 .1595 .3742 -.6735 52 THR 52 -.1608 999.9900 .4804 999.9900 .4476 .2557 .6578 -.2537 .1261 .2342 53 VAL 53 1.0462 999.9900 .4980 999.9900 .7810 .7751 .6568 .1412 .3560 .6246 54 LYS 54 .0195 -.7918 999.9900 .4405 .7460 .1710 .6725 .1570 .3718 .2406 55 GLU 55 -.6559 -.0757 999.9900 -1.0323 .6899 -.2685 .6794 .5199 .5864 .0209 56 VAL 56 .4077 999.9900 -.0276 999.9900 .7810 .3870 .6604 .1263 .3488 .3896 57 LYS 57 -.3286 -1.1755 999.9900 -.4035 .7460 -.3130 .6727 .1620 .3748 -.1043 58 LEU 58 .0986 -2.5464 999.9900 999.9900 .9565 -.4971 .6738 .1643 .3766 -.1306 59 ILE 59 -.6113 -2.4201 999.9900 999.9900 .6034 -.8093 .6608 .0467 .3025 -.3441 60 SER 60 -1.1635 999.9900 .3727 999.9900 .6705 -.0401 .6767 .5311 .5918 .2175 61 ALA 61 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6696 .3176 .4643 .0149 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5831 .4829 .5274 .4959 63 LYS 63 -.2023 -2.1617 999.9900 -.4035 .7460 -.4850 .6745 .1574 .3728 -.2276 64 VAL 64 -.4842 999.9900 -.2457 999.9900 .7810 .0171 .6599 .1201 .3450 .1662 65 LEU 65 -.1836 -2.9612 999.9900 999.9900 .9565 -.7294 .6778 .1478 .3687 -.2725 66 GLU 66 -.8365 -2.8418 999.9900 -1.0323 .6899 -1.0052 .6716 .5163 .5810 -.4721 67 ASN 67 .6639 -1.8756 999.9900 999.9900 .7518 -.1533 .6823 .3792 .5055 .1203 68 SER 68 .4640 999.9900 -.0289 999.9900 .6705 .3686 .6765 .5288 .5903 .4622 69 LYS 69 -.8956 -1.4228 999.9900 .2495 .7460 -.2147 .6749 .1498 .3686 -.0355 70 THR 70 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6585 -.2451 .1314 -.1362 71 VAL 71 .3707 999.9900 -.2457 999.9900 .7810 .3020 .6542 .1192 .3421 .3359 72 LYS 72 .8536 -.4366 999.9900 -.0770 .7460 .2018 .6686 .1508 .3665 .2612 73 ASP 73 .8349 -2.8653 999.9900 999.9900 .8104 -.4067 .6752 .3715 .4980 -.0347 74 TYR 74 -1.2852 -4.1972 999.9900 999.9900 .5630 -1.6398 .6811 -.1987 .1678 -.8874 75 ARG 75 -2.9267 -1.6149 999.9900 .1593 .8581 -.6730 .6776 .5115 .5807 -.3108 76 SER 76 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .4793 .5187 .5023 .1874 77 PRO 77 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5496 -.3706 .0128 -1.1245 78 VAL 78 -3.8060 999.9900 -1.0788 999.9900 .7810 -1.3679 .6605 .1152 .3424 -.6656 79 SER 79 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6765 .5293 .5906 -.3552 80 ASN 80 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6741 .3758 .5001 -.8664 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6816 .1684 .3823 -.9849 82 ALA 82 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6659 .3218 .4652 -.2759 83 GLY 83 -.4374 999.9900 999.9900 999.9900 .7883 .1754 .5821 .4652 .5172 .3495 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6645 .3298 .4692 .1560 85 VAL 85 -1.1433 999.9900 .9747 999.9900 .7810 .2041 .6559 .1099 .3374 .2756 86 THR 86 .1937 999.9900 .0483 999.9900 .4476 .2298 .6655 -.2611 .1250 .2188 87 THR 87 .2184 999.9900 -.2947 999.9900 .4476 .1237 .6552 -.2686 .1163 .1516 88 MET 88 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6771 .5170 .5837 -.0234 89 HIS 89 -.2420 .6122 999.9900 999.9900 .6686 .3463 .6778 .3332 .4768 .4100 90 VAL 90 -.1853 999.9900 .5873 999.9900 .7810 .3944 .6584 .1320 .3513 .3947 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6573 .0390 .2966 -.2792 92 ILE 92 -.4647 -1.7297 999.9900 999.9900 .6034 -.5303 .6594 .0353 .2953 -.1793 93 GLN 93 -1.2769 -.2368 999.9900 2.7911 .5113 .4472 .6838 .5229 .5899 .4992 94 ALA 94 -.4016 999.9900 999.9900 999.9900 .7458 .1721 .4712 .3145 .3798 .2825 95 PRO 95 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5449 -.3964 -.0042 .2545 96 VAL 96 -3.0988 999.9900 -.2457 999.9900 .7810 -.8545 .6606 .1256 .3485 -.3554 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6562 -.2542 .1251 -.8476 98 GLU 98 -.8041 -1.0866 999.9900 -1.0323 .6899 -.5583 .6799 .5290 .5919 -.1707 99 LYS 99 -3.5196 -.9566 999.9900 -.4035 .7460 -.9075 .6754 .1593 .3744 -.5289 100 GLU 100 -2.3953 .8225 999.9900 -1.0323 .6899 -.4788 .6778 .5255 .5889 -.1187 101 LYS 101 999.9900 -1.6955 999.9900 .1731 999.9900 -.4498 .6763 -.0380 .2682 -.1422 Means: -.7557 -1.6892 -.3181 -.0932 .6979 -.3404 .6472 .2051 .3900 -.0462 2.00 analyzed_15