1 GLU 1 999.9900 -.3100 999.9900 -1.0323 .6899 -.2175 .6741 .5151 .5873 .1074 2 ALA 2 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 .6623 .3153 .4599 .0597 3 GLU 3 -3.2255 .0644 999.9900 -1.0323 .6899 -.8759 .6738 .5174 .5826 -.3854 4 VAL 4 -.3909 999.9900 .7395 999.9900 .7810 .3765 .6551 .1231 .3448 .3816 5 HIS 5 -3.0884 .0128 999.9900 999.9900 .6686 -.8023 .6803 .3299 .4759 -.2793 6 ASN 6 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6683 .3802 .5003 -.9916 7 GLN 7 -1.9302 -.9251 999.9900 1.3059 .5113 -.2595 .6823 .5158 .5852 .0267 8 LEU 8 -.0411 -2.9612 999.9900 999.9900 .9565 -.6819 .6746 .1622 .3757 -.2418 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6772 .5178 .5842 -.4065 10 ILE 10 .3059 .2838 999.9900 999.9900 .6034 .3977 .6579 .0332 .2935 .3768 11 LYS 11 -.2799 -2.9005 999.9900 -.0770 .7460 -.5177 .6720 .1421 .3629 -.2535 12 PHE 12 -.0400 .8396 999.9900 999.9900 .7573 .5190 .6743 .0971 .3376 .4656 13 ARG 13 -.4343 -2.8571 999.9900 .6901 .8581 -.2106 .6785 .5158 .5836 .0202 14 LEU 14 -.5702 -2.3037 999.9900 999.9900 .9565 -.6392 .6759 .1674 .3793 -.2148 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6649 -.2623 .1241 .0899 16 ASP 16 .1806 .4423 999.9900 999.9900 .8104 .4778 .6807 .3807 .5057 .4989 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5743 .4679 .5152 .6142 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6718 .5300 .5891 .2052 19 ASP 19 -.9954 -1.1646 999.9900 999.9900 .8104 -.4499 .6768 .3896 .5093 -.0566 20 ILE 20 -.2252 .6227 999.9900 999.9900 .6034 .3336 .6598 .0506 .3044 .3423 21 GLY 21 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .3373 .4736 .4131 -.0448 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5440 -.3505 .0222 .2544 23 LYS 23 -.3414 -1.5918 999.9900 -.4035 .7460 -.3988 .6742 .1489 .3678 -.1673 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6719 .3180 .4654 .2269 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4846 .1075 .2646 .1241 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5449 -.3548 .0200 .2649 27 ASP 27 .2994 -2.0001 999.9900 999.9900 .8104 -.2968 .6731 .3803 .5023 .0326 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6631 .3256 .4662 .2915 29 THR 29 -.3748 999.9900 -.8810 999.9900 .4476 -.2694 .6561 -.2531 .1258 -.0810 30 THR 30 -.6474 999.9900 .7650 999.9900 .4476 .1884 .6603 -.2547 .1266 .1942 31 VAL 31 -1.6906 999.9900 .4980 999.9900 .7810 -.1372 .6612 .1126 .3412 .0725 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6784 .5332 .5937 .4235 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6713 .3106 .4609 .5943 34 LEU 34 1.1349 -3.3760 999.9900 999.9900 .9565 -.4282 .6777 .1553 .3730 -.0903 35 LYS 35 .6751 -1.3520 999.9900 -.4035 .7460 -.1476 .6726 .1562 .3714 .0130 36 GLU 36 .6116 -.5367 999.9900 -1.0323 .6899 -.0669 .6746 .5163 .5823 .1539 37 THR 37 1.1372 999.9900 -.8810 999.9900 .4476 .2346 .6582 -.2553 .1253 .2213 38 VAL 38 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6544 .1403 .3545 .2446 39 ILE 39 .7069 -1.4972 999.9900 999.9900 .6034 -.0623 .6584 .0507 .3039 .1044 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6782 .5254 .5891 .4070 41 GLU 41 .8604 -.8493 999.9900 -1.0323 .6899 -.0828 .6795 .5224 .5879 .1451 42 TRP 42 -.3273 -3.3859 999.9900 999.9900 .9378 -.9251 .4594 .1898 .3021 -.4253 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5372 -.3665 .0101 .0064 44 ARG 44 .3315 -1.0788 999.9900 .1593 .8581 .0859 .6780 .5182 .5848 .2322 45 GLU 45 -.1289 -2.8418 999.9900 -1.0323 .6899 -.8283 .6738 .5226 .5856 -.3528 46 LYS 46 -3.0472 -2.4344 999.9900 -.0770 .7460 -.9779 .6735 .1662 .3776 -.5785 47 GLU 47 -3.2255 -1.3104 999.9900 -1.0323 .6899 -1.2196 .6772 .5318 .5924 -.6116 48 ASN 48 -2.3558 .2511 999.9900 999.9900 .7518 -.4509 .6717 .3783 .5006 -.0606 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .3607 .4866 .4306 .0394 50 PRO 50 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5530 -.3645 .0178 .1625 51 LYS 51 -3.0472 -.2178 999.9900 .2495 .7460 -.4040 .6769 .1620 .3765 -.1687 52 THR 52 -.3846 999.9900 .6346 999.9900 .4476 .2325 .6525 -.2480 .1272 .2204 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6602 .1272 .3493 .2111 54 LYS 54 .0195 -1.2879 999.9900 -.0770 .7460 -.1353 .6725 .1647 .3763 .0230 55 GLU 55 -1.1689 -.9194 999.9900 -1.0323 .6899 -.6077 .6797 .5261 .5901 -.2041 56 VAL 56 .1158 999.9900 .4980 999.9900 .7810 .4649 .6581 .1252 .3472 .4356 57 LYS 57 -.2512 -1.3520 999.9900 -.4035 .7460 -.3328 .6780 .1526 .3715 -.1191 58 LEU 58 -.0792 -2.0611 999.9900 999.9900 .9565 -.3946 .6749 .1565 .3725 -.0705 59 ILE 59 -.1241 .6227 999.9900 999.9900 .6034 .3673 .6537 .0424 .2971 .3596 60 SER 60 -1.2119 999.9900 .3727 999.9900 .6705 -.0562 .6783 .5282 .5907 .2076 61 ALA 61 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6614 .3175 .4608 -.1570 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5866 .4777 .5261 .6233 63 LYS 63 -.3099 -2.9005 999.9900 -.4035 .7460 -.6543 .6729 .1649 .3766 -.3477 64 VAL 64 -.4485 999.9900 .9224 999.9900 .7810 .4183 .6547 .1308 .3491 .4081 65 LEU 65 -.2022 -.6635 999.9900 999.9900 .9565 .0303 .6748 .1460 .3664 .1823 66 GLU 66 -.7635 -2.1111 999.9900 .3501 .6899 -.4587 .6813 .5280 .5919 -.1042 67 ASN 67 1.1678 -1.3461 999.9900 999.9900 .7518 .1912 .6736 .3812 .5030 .3257 68 SER 68 -.2951 999.9900 -.7153 999.9900 .6705 -.1133 .6766 .5266 .5891 .1727 69 LYS 69 -.4529 -1.5020 999.9900 -.0397 .7460 -.2577 .6834 .1600 .3781 -.0636 70 THR 70 -.6082 999.9900 -.8810 999.9900 .4476 -.3472 .6538 -.2583 .1218 -.1292 71 VAL 71 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6544 .1326 .3500 .2111 72 LYS 72 .8536 -1.6955 999.9900 -.4035 .7460 -.1806 .6817 .1645 .3800 -.0081 73 ASP 73 .8349 -2.4630 999.9900 999.9900 .8104 -.2726 .6720 .3695 .4955 .0448 74 TYR 74 -.5975 -4.1972 999.9900 999.9900 .5630 -1.4106 .6785 -.1696 .1838 -.7446 75 ARG 75 -.3136 -2.0954 999.9900 .5548 .8581 -.0883 .6789 .5218 .5872 .1085 76 SER 76 -.4495 999.9900 -.7153 999.9900 .6705 -.1648 .4686 .5347 .5072 .1018 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5487 -.3653 .0155 .1612 78 VAL 78 -3.0988 999.9900 -1.0788 999.9900 .7810 -1.1322 .6618 .1155 .3431 -.5238 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6799 .5394 .5979 -.5171 80 ASN 80 -.2390 -2.3357 999.9900 999.9900 .7518 -.6076 .6793 .3833 .5066 -.1521 81 LEU 81 -3.7702 -2.7185 999.9900 999.9900 .9565 -1.8441 .6772 .1568 .3736 -.9396 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6663 .3239 .4666 -.4322 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5835 .4665 .5185 -.2083 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6579 .3207 .4612 .1738 85 VAL 85 -.7345 999.9900 -1.0788 999.9900 .7810 -.3441 .6589 .1239 .3468 -.0499 86 THR 86 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6538 -.2402 .1323 .0426 87 THR 87 .1937 999.9900 .2916 999.9900 .4476 .3110 .6657 -.2609 .1252 .2675 88 MET 88 -.1902 -1.3058 999.9900 .9587 .5203 -.0043 .6733 .5192 .5834 .1959 89 HIS 89 -.2420 .0552 999.9900 999.9900 .6686 .1606 .6794 .3207 .4701 .2964 90 VAL 90 -.5494 999.9900 -1.0788 999.9900 .7810 -.2824 .6561 .1173 .3418 -.0148 91 ILE 91 .1962 -2.2551 999.9900 999.9900 .6034 -.4852 .6601 .0464 .3021 -.1498 92 ILE 92 -.7728 -2.1272 999.9900 999.9900 .6034 -.7655 .6587 .0385 .2969 -.3199 93 GLN 93 -1.2769 -1.1512 999.9900 1.3059 .5113 -.1527 .6780 .5231 .5876 .0984 94 ALA 94 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .4709 .3180 .3817 .1264 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5452 -.3540 .0207 .0861 96 VAL 96 -3.2710 999.9900 -1.0788 999.9900 .7810 -1.1896 .6570 .1308 .3500 -.5562 97 THR 97 .0643 999.9900 -.8810 999.9900 .4476 -.1231 .6531 -.2487 .1270 .0070 98 GLU 98 -1.7894 -2.1111 999.9900 .3501 .6899 -.7151 .6832 .5225 .5895 -.2758 99 LYS 99 -2.1024 -2.9005 999.9900 -.4035 .7460 -1.0128 .6773 .1506 .3701 -.6051 100 GLU 100 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6740 .5233 .5861 -.8687 101 LYS 101 999.9900 -2.4344 999.9900 -.0770 999.9900 -.8628 .6726 -.0127 .2810 -.3857 Means: -.6532 -1.5558 -.4595 -.1648 .6979 -.3080 .6470 .2075 .3913 -.0258 2.00 analyzed_19