1 MET 1 999.9900 -.2378 999.9900 .9587 .5203 .4137 .6696 .4967 .5753 .4815 2 THR 2 -.4672 999.9900 -.2947 999.9900 .4476 -.1048 .6583 -.2601 .1225 .0168 3 GLU 3 -1.7894 -2.3808 999.9900 .3501 .6899 -.7826 .6782 .5253 .5890 -.3211 4 VAL 4 -.7132 999.9900 -.2457 999.9900 .7810 -.0593 .6619 .1180 .3446 .1204 5 TYR 5 .3730 -.9900 999.9900 999.9900 .5630 -.0180 .6759 -.1809 .1761 .0882 6 ASP 6 -.2530 -3.7306 999.9900 999.9900 .8104 -1.0577 .6758 .3782 .5022 -.4239 7 LEU 7 -.5127 -2.9612 999.9900 999.9900 .9565 -.8391 .6785 .1614 .3768 -.3355 8 GLU 8 -.4615 -1.9198 999.9900 -1.0323 .6899 -.6809 .6707 .5135 .5790 -.2566 9 ILE 9 -.6670 -2.2551 999.9900 999.9900 .6034 -.7729 .6642 .0362 .2979 -.3237 10 THR 10 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6548 -.2715 .1144 -.0236 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6498 -.2635 .1170 -.1712 12 ASN 12 -.6931 -1.7113 999.9900 999.9900 .7518 -.5509 .6747 .3724 .4983 -.1211 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6640 .3200 .4633 .3929 14 THR 14 .5084 999.9900 -.2947 999.9900 .4476 .2204 .6544 -.2543 .1243 .2123 15 ASP 15 -.0929 -1.7105 999.9900 999.9900 .8104 -.3310 .6814 .3836 .5077 .0144 16 PHE 16 -.9433 .3647 999.9900 999.9900 .7573 .0596 .4846 .1010 .2609 .1529 17 PRO 17 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5502 -.3525 .0236 .2555 18 MET 18 -.8637 -2.5481 999.9900 .9587 .5203 -.4832 .6750 .5190 .5840 -.1231 19 GLU 19 -.3103 -2.3808 999.9900 .3501 .6899 -.4128 .6765 .5138 .5816 -.0768 20 LYS 20 -.5771 -2.1617 999.9900 .6133 .7460 -.1532 .6814 .1597 .3771 .0107 21 LYS 21 -.3543 -.5697 999.9900 .4411 .7460 .1409 .6752 .1498 .3687 .2185 22 TYR 22 .4403 -1.1984 999.9900 999.9900 .5630 -.0651 .4923 -.1806 .0998 .0233 23 PRO 23 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5494 -.3708 .0126 .2507 24 ALA 24 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6667 .3032 .4547 -.2803 25 GLY 25 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5733 .4742 .5182 -.4127 26 MET 26 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6747 .5153 .5817 -.3522 27 SER 27 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 .6752 .5289 .5899 .1364 28 LEU 28 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6741 .1531 .3702 -.2185 29 ASN 29 .9642 -.4625 999.9900 999.9900 .7518 .4178 .6823 .3870 .5100 .4646 30 ASP 30 1.1359 -2.1980 999.9900 999.9900 .8104 -.0839 .6792 .3815 .5056 .1618 31 LEU 31 .8475 -3.3760 999.9900 999.9900 .9565 -.5240 .6725 .1634 .3755 -.1472 32 LYS 32 1.0838 -.1697 999.9900 -.4035 .7460 .1706 .6791 .1495 .3702 .2402 33 LYS 33 .9451 -2.1617 999.9900 -.0770 .7460 -.1249 .6782 .1598 .3758 .0305 34 LYS 34 1.2214 -1.8181 999.9900 -.4035 .7460 -.1315 .6745 .1571 .3727 .0248 35 LEU 35 .6509 -1.3818 999.9900 999.9900 .9565 .0752 .6768 .1543 .3720 .2113 36 GLU 36 .6833 -1.6501 999.9900 -1.0323 .6899 -.3273 .6813 .5228 .5888 -.0175 37 LEU 37 .2140 -2.4128 999.9900 999.9900 .9565 -.4141 .6766 .1549 .3723 -.0822 38 VAL 38 -1.1682 999.9900 .7395 999.9900 .7810 .1174 .6649 .1221 .3483 .2279 39 VAL 39 -.6856 999.9900 .8055 999.9900 .7810 .3003 .6586 .1273 .3487 .3374 40 GLY 40 .8169 999.9900 999.9900 999.9900 .7883 .8026 .5960 .4824 .5329 .6709 41 THR 41 -.6884 999.9900 .4804 999.9900 .4476 .0798 .6636 -.2532 .1288 .1300 42 THR 42 -1.3548 999.9900 -.8810 999.9900 .4476 -.5961 .6523 -.2434 .1298 -.2759 43 VAL 43 -1.4030 999.9900 -.5532 999.9900 .7810 -.3917 .6542 .1331 .3502 -.0776 44 ASP 44 .6201 -2.6388 999.9900 999.9900 .8104 -.4028 .6732 .3766 .5002 -.0317 45 SER 45 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6779 .5282 .5905 .1594 46 MET 46 -.8637 .2906 999.9900 .9587 .5203 .2265 .6765 .5173 .5836 .3500 47 ARG 47 -.4439 -1.7413 999.9900 1.0005 .8581 .1348 .6743 .5175 .5828 .2665 48 ILE 48 .3059 -.2124 999.9900 999.9900 .6034 .2323 .6592 .0536 .3059 .2819 49 GLN 49 -.4190 -1.9601 999.9900 1.3059 .5113 -.1405 .6779 .5361 .5952 .1087 50 LEU 50 -.6702 -1.9980 999.9900 999.9900 .9565 -.5706 .6730 .1432 .3640 -.1791 51 PHE 51 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6835 .1178 .3535 -.5284 52 ASP 52 -3.3417 -.9083 999.9900 999.9900 .8104 -1.1465 .6739 .3803 .5026 -.4771 53 GLY 53 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5891 .4775 .5271 .1381 54 ASP 54 -3.3417 -2.0928 999.9900 999.9900 .8104 -1.5414 .6732 .3746 .4990 -.7153 55 ASP 55 -3.3417 -2.3194 999.9900 999.9900 .8104 -1.6169 .6805 .3858 .5086 -.7569 56 GLN 56 -.8152 -2.6982 999.9900 1.3059 .5113 -.4240 .6786 .5291 .5914 -.0814 57 LEU 57 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6778 .1608 .3762 -.3458 58 LYS 58 .0670 -2.1617 999.9900 -.0397 .7460 -.2856 .6759 .1620 .3762 -.0843 59 GLY 59 -.5417 999.9900 999.9900 999.9900 .7883 .1233 .5749 .4683 .5157 .3224 60 GLU 60 -.4615 -2.8418 999.9900 -1.0323 .6899 -.9114 .6766 .5294 .5907 -.4066 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6744 .1727 .3817 -1.0685 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6536 -.2591 .1212 -.8491 63 ASP 63 -.3633 -3.7306 999.9900 999.9900 .8104 -1.0945 .6729 .3734 .4982 -.4474 64 GLY 64 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5831 .4747 .5229 -.0027 65 ALA 65 -2.0449 999.9900 999.9900 999.9900 .7458 -.6496 .6693 .3248 .4683 -.0763 66 LYS 66 -.5681 -1.5020 999.9900 -.0770 .7460 -.2956 .6730 .1600 .3737 -.0922 67 SER 67 -.1368 999.9900 -.7153 999.9900 .6705 -.0606 .6845 .5377 .5989 .2081 68 LEU 68 -.1625 -1.3818 999.9900 999.9900 .9565 -.1960 .6752 .1499 .3688 .0474 69 LYS 69 -.2512 -2.1617 999.9900 -.4035 .7460 -.4948 .6780 .1636 .3779 -.2332 70 ASP 70 1.1285 -2.6388 999.9900 999.9900 .8104 -.2333 .6819 .3861 .5094 .0736 71 LEU 71 -.5757 -.9670 999.9900 999.9900 .9565 -.1954 .6755 .1491 .3684 .0477 72 GLY 72 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5868 .4798 .5274 .4961 73 VAL 73 -4.3409 999.9900 .5873 999.9900 .7810 -.9909 .6567 .1221 .3449 -.4387 74 ARG 74 -2.5097 -1.8960 999.9900 .1593 .8581 -.6458 .6788 .5217 .5872 -.2898 75 ASP 75 -.1445 -3.1847 999.9900 999.9900 .8104 -.8396 .6743 .3763 .5005 -.2936 76 GLY 76 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5813 .4646 .5165 .6277 77 TYR 77 -.4486 -2.7782 999.9900 999.9900 .5630 -.8879 .6792 -.1971 .1680 -.4363 78 ARG 78 -.1685 -.3921 999.9900 .1593 .8581 .1232 .6775 .5093 .5794 .2576 79 ILE 79 .3059 -.5821 999.9900 999.9900 .6034 .1091 .6605 .0430 .3003 .2061 80 HIS 80 -.4125 -.1773 999.9900 999.9900 .6686 .0262 .6775 .3288 .4741 .2170 81 ALA 81 -.6925 999.9900 999.9900 999.9900 .7458 .0266 .6650 .3027 .4536 .2552 82 VAL 82 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6627 .1189 .3455 -.1201 83 ASP 83 -.0565 -3.7306 999.9900 999.9900 .8104 -.9922 .6776 .3818 .5051 -.3835 84 VAL 84 -1.5970 999.9900 -1.0788 999.9900 .7810 -.6316 .6558 .1327 .3507 -.2212 85 THR 85 -.1311 999.9900 -.8810 999.9900 .4476 -.1882 .6642 -.2657 .1217 -.0332 86 GLY 86 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5762 .4713 .5179 .3724 87 GLY 87 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5884 .4829 .5298 -.0211 88 ASN 88 -.3935 .7281 999.9900 999.9900 .7518 .3622 .6699 .3765 .4988 .4266 89 GLU 89 -3.2255 -.8493 999.9900 -1.0323 .6899 -1.1043 .6771 .5194 .5851 -.5368 90 ASP 90 999.9900 -.2599 999.9900 999.9900 999.9900 -.2599 .6824 .3595 .4979 .2607 Means: -.6487 -1.8559 -.4158 .1458 .7218 -.3537 .6576 .2321 .4105 -.0440 2.00 analyzed_4