1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6720 .5129 .5853 .0232 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6630 .3269 .4670 -.1763 3 ASP 3 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6732 .3827 .5037 -.9320 4 THR 4 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6555 -.2585 .1224 -.7313 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5830 .4731 .5219 -.0783 6 GLU 6 -3.2255 -1.2470 999.9900 -1.0323 .6899 -1.2037 .6788 .5139 .5826 -.6037 7 VAL 7 -.0463 999.9900 .1416 999.9900 .7810 .2921 .6568 .1250 .3466 .3316 8 GLN 8 -.4791 -.9251 999.9900 1.3059 .5113 .1032 .6770 .5274 .5897 .2696 9 PHE 9 .1414 .1483 999.9900 999.9900 .7573 .3490 .6754 .1014 .3406 .3648 10 MET 10 -.2520 -.4050 999.9900 .9587 .5203 .2055 .6770 .5214 .5862 .3367 11 LYS 11 -.2978 -2.4344 999.9900 -.4035 .7460 -.5586 .4988 .1462 .2931 -.3069 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5413 -.3568 .0174 .2521 13 PHE 13 -.0168 -4.3038 999.9900 999.9900 .7573 -1.1878 .6789 .0977 .3398 -.5573 14 ILE 14 .3543 -2.2551 999.9900 999.9900 .6034 -.4325 .6517 .0466 .2987 -.1198 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6753 .5326 .5920 .3254 16 GLU 16 .0765 -1.7714 999.9900 -1.0323 .6899 -.5093 .6819 .5290 .5927 -.1377 17 LYS 17 -2.0221 -2.4344 999.9900 -.4035 .7460 -.9035 .6703 .1525 .3682 -.5278 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6783 .5332 .5936 .2611 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6805 .5303 .5929 .2650 20 LYS 20 -3.5196 -.2695 999.9900 -.4035 .7460 -.7700 .6721 .1573 .3718 -.4315 21 SER 21 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6752 .5278 .5892 .1620 22 LEU 22 -.2246 -2.3037 999.9900 999.9900 .9565 -.5239 .6739 .1476 .3669 -.1501 23 GLU 23 -.5578 -1.6501 999.9900 -1.0323 .6899 -.6376 .6769 .5196 .5851 -.2256 24 ILE 24 .2593 -.8802 999.9900 999.9900 .6034 -.0058 .4734 .0334 .2167 .0979 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5406 -.3788 .0043 .2465 26 LEU 26 -.1625 -2.9612 999.9900 999.9900 .9565 -.7224 .6778 .1655 .3789 -.2648 27 GLY 27 .5723 999.9900 999.9900 999.9900 .7883 .6803 .5701 .4632 .5107 .5985 28 PHE 28 .6259 -.6308 999.9900 999.9900 .7573 .2508 .6753 .1021 .3409 .3060 29 ASN 29 .9310 .0628 999.9900 999.9900 .7518 .5819 .6709 .3686 .4945 .5570 30 GLU 30 .0468 -2.8418 999.9900 -1.0323 .6899 -.7844 .6819 .5275 .5919 -.3213 31 TYR 31 -.0710 -3.5861 999.9900 999.9900 .5630 -1.0314 .6712 -.1700 .1805 -.5186 32 PHE 32 -3.6149 .1164 999.9900 999.9900 .7573 -.9137 .4785 .0989 .2571 -.4327 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5397 -.3634 .0129 .2501 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4704 .3069 .3750 .2699 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5399 -.3530 .0190 .2641 36 PHE 36 -1.3242 -.4187 999.9900 999.9900 .7573 -.3285 .4911 .1045 .2656 -.0780 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5422 -.3603 .0157 .2049 38 ILE 38 -.4906 -2.2551 999.9900 999.9900 .6034 -.7141 .6596 .0491 .3035 -.2867 39 THR 39 -.5585 999.9900 .7650 999.9900 .4476 .2180 .6580 -.2458 .1308 .2132 40 VAL 40 -.0145 999.9900 .4980 999.9900 .7810 .4215 .6566 .1339 .3517 .4110 41 ASP 41 -.5526 -.3515 999.9900 999.9900 .8104 -.0312 .6771 .3810 .5044 .1929 42 LEU 42 .0291 .3561 999.9900 999.9900 .9565 .4472 .6741 .1592 .3737 .4350 43 LEU 43 .0291 -2.5464 999.9900 999.9900 .9565 -.5203 .6756 .1696 .3804 -.1431 44 ASP 44 -1.1787 -2.1980 999.9900 999.9900 .8104 -.8554 .6738 .3799 .5024 -.3025 45 TYR 45 -3.6999 -2.0830 999.9900 999.9900 .5630 -1.7400 .6696 -.1806 .1737 -.9462 46 SER 46 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6812 .5406 .5991 -.3520 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5846 .4805 .5268 -.0227 48 ARG 48 -.4155 -2.8571 999.9900 1.0856 .8581 -.0487 .6682 .5127 .5775 .1339 49 SER 49 -.5771 999.9900 1.0592 999.9900 .6705 .3842 .6736 .5261 .5876 .4705 50 TRP 50 .0682 -.5700 999.9900 999.9900 .9378 .1454 .6795 .1966 .3978 .2624 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6623 -.2741 .1161 .0297 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6590 .1149 .3416 .0923 53 ARG 53 -.5160 -2.8571 999.9900 .5548 .8581 -.2811 .6765 .5115 .5802 -.0311 54 MET 54 -.3503 .2906 999.9900 .9587 .5203 .3548 .6755 .5208 .5852 .4359 55 LYS 55 -.6340 -1.6955 999.9900 -.4035 .7460 -.4781 .6750 .1596 .3743 -.2223 56 LYS 56 -.2075 -1.5020 999.9900 -.4035 .7460 -.3541 .6825 .1547 .3746 -.1333 57 ARG 57 -1.2223 -.6537 999.9900 .1593 .8581 -.1399 .6786 .5185 .5852 .0711 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5739 .4624 .5119 .3062 59 GLU 59 -.7734 -1.6501 999.9900 -1.0323 .6899 -.6915 .6804 .5191 .5863 -.2611 60 LYS 60 -.1765 .0031 999.9900 -.4035 .7460 -.0469 .6786 .1623 .3775 .0867 61 VAL 61 -.0951 999.9900 .1416 999.9900 .7810 .2758 .6517 .1299 .3473 .3218 62 PHE 62 -.3916 -1.5308 999.9900 999.9900 .7573 -.3884 .6788 .0941 .3377 -.0784 63 LEU 63 -.2787 -2.4128 999.9900 999.9900 .9565 -.5783 .6807 .1717 .3838 -.1765 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6499 -.2653 .1161 -.6630 65 VAL 65 -1.2071 999.9900 .1416 999.9900 .7810 -.0948 .6546 .1400 .3544 .1020 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5859 .4654 .5190 -.1546 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6767 .1871 .3911 -.4553 68 GLU 68 .8604 -.9977 999.9900 -1.0323 .6899 -.1200 .6790 .5247 .5890 .1206 69 ASN 69 .7786 -1.5725 999.9900 999.9900 .7518 -.0140 .6782 .3886 .5093 .2049 70 PHE 70 .6259 -1.8165 999.9900 999.9900 .7573 -.1444 .6725 .1046 .3412 .0687 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6603 .1295 .3507 .2951 72 LYS 72 .9480 -1.5918 999.9900 -.0397 .7460 .0045 .6671 .1610 .3719 .1216 73 ASP 73 .9921 -3.7306 999.9900 999.9900 .8104 -.6427 .6774 .3700 .4981 -.1761 74 ASN 74 -.1320 -3.3254 999.9900 999.9900 .7518 -.9019 .6782 .3831 .5060 -.3289 75 ASN 75 -2.1824 -.5409 999.9900 999.9900 .7518 -.6572 .6747 .3879 .5074 -.1818 76 LEU 76 -3.0384 -3.3760 999.9900 999.9900 .9565 -1.8193 .6775 .1646 .3783 -.9232 77 GLU 77 -1.3743 -2.8418 999.9900 .3501 .6899 -.7940 .6792 .5269 .5904 -.3283 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6809 .3899 .5112 -.6741 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5850 .4764 .5247 -.4092 80 LYS 80 -.7069 -.5697 999.9900 -.0397 .7460 -.1220 .6801 .1566 .3747 .0324 81 TYR 81 -.3989 -1.6992 999.9900 999.9900 .5630 -.5117 .6702 -.1891 .1689 -.2108 82 LEU 82 .0291 .2345 999.9900 999.9900 .9565 .4067 .6715 .1504 .3675 .4084 83 GLN 83 -.3535 -1.0871 999.9900 1.3059 .5113 .0941 .6785 .5329 .5935 .2647 84 PHE 84 -.2457 -1.2830 999.9900 999.9900 .7573 -.2571 .6756 .0989 .3392 .0006 85 ILE 85 .3543 -1.9342 999.9900 999.9900 .6034 -.3255 .6641 .0476 .3045 -.0530 86 TYR 86 .4043 -.7659 999.9900 999.9900 .5630 .0671 .6725 -.1866 .1713 .1374 87 ASP 87 -2.2314 -1.2611 999.9900 999.9900 .8104 -.8941 .6714 .3799 .5014 -.3262 88 ARG 88 -2.0927 .1176 999.9900 .1593 .8581 -.1597 .6723 .5096 .5774 .0548 89 ASP 89 -2.8635 -2.3194 999.9900 999.9900 .8104 -1.4575 .6742 .3724 .4981 -.6652 90 ARG 90 -1.6758 -2.3766 999.9900 .1593 .8581 -.5751 .6768 .5220 .5865 -.2395 91 THR 91 .3447 999.9900 -.2947 999.9900 .4476 .1659 .6583 -.2495 .1287 .1813 92 PHE 92 .0900 .8396 999.9900 999.9900 .7573 .5623 .6706 .1039 .3400 .4923 93 TYR 93 .0686 .4149 999.9900 999.9900 .5630 .3488 .6735 -.1782 .1767 .3084 94 VAL 94 -.0951 999.9900 .7395 999.9900 .7810 .4751 .6556 .1199 .3431 .4402 95 ILE 95 -.7007 -.2165 999.9900 999.9900 .6034 -.1046 .6615 .0450 .3019 .0785 96 ILE 96 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6530 .0463 .2991 -.2786 97 TYR 97 .4043 -.7306 999.9900 999.9900 .5630 .0789 .6837 -.1828 .1783 .1475 98 GLY 98 -1.3427 999.9900 999.9900 999.9900 .7883 -.2772 .5872 .4750 .5249 .1269 99 HIS 99 -.4447 -1.1713 999.9900 999.9900 .6686 -.3158 .6795 .3257 .4731 .0116 100 ASN 100 -1.7258 -.5409 999.9900 999.9900 .7518 -.5050 .6794 .3802 .5049 -.0910 101 MET 101 -2.6662 -.6258 999.9900 .9587 .5203 -.4533 .6820 .5202 .5876 -.1018 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6746 .2429 .4279 .3490 Means: -.7022 -1.5387 -.2352 -.0042 .7095 -.3334 .6510 .2126 .3961 -.0391 2.00 analyzed_14