1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6716 .5026 .5794 .0210 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 .7458 -.6744 .6654 .3187 .4632 -.0912 3 ASP 3 -1.5212 -1.7105 999.9900 999.9900 .8104 -.8071 .6784 .3844 .5069 -.2717 4 THR 4 -2.8292 999.9900 -.2947 999.9900 .4476 -.8921 .6545 -.2592 .1215 -.4562 5 GLY 5 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .5779 .4697 .5178 .2052 6 GLU 6 -.3386 -1.5476 999.9900 .3501 .6899 -.2115 .6768 .5220 .5865 .0588 7 VAL 7 -.3161 999.9900 -.5532 999.9900 .7810 -.0294 .6624 .1240 .3484 .1396 8 GLN 8 -1.0957 -2.6982 999.9900 1.3059 .5113 -.4942 .6771 .5261 .5890 -.1289 9 PHE 9 -.4296 -.2091 999.9900 999.9900 .7573 .0395 .6730 .1002 .3389 .1784 10 MET 10 -.1559 -.2135 999.9900 .9587 .5203 .2774 .6735 .5218 .5851 .3842 11 LYS 11 -.5771 -2.4344 999.9900 -.0770 .7460 -.4839 .4848 .1557 .2928 -.2541 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5283 -.3896 -.0071 .1501 13 PHE 13 .0900 -.2091 999.9900 999.9900 .7573 .2127 .6751 .1008 .3401 .2828 14 ILE 14 .0718 -.5821 999.9900 999.9900 .6034 .0310 .6568 .0301 .2912 .1560 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6762 .5300 .5909 .2600 16 GLU 16 .3258 -.7281 999.9900 -1.0323 .6899 -.1862 .6781 .5274 .5902 .0768 17 LYS 17 -2.0221 -1.3520 999.9900 -.4035 .7460 -.6870 .6755 .1616 .3757 -.3711 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6779 .5301 .5917 .2604 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6779 .5274 .5901 .2639 20 LYS 20 -2.2985 -.7357 999.9900 .3240 .7460 -.3280 .6775 .1579 .3744 -.1150 21 SER 21 -.3251 999.9900 -.7153 999.9900 .6705 -.1233 .6777 .5332 .5934 .1682 22 LEU 22 -.1897 -1.3818 999.9900 999.9900 .9565 -.2050 .6741 .1541 .3708 .0426 23 GLU 23 -.4325 -1.9198 999.9900 -1.0323 .6899 -.6737 .6820 .5187 .5867 -.2490 24 ILE 24 .0718 -.3653 999.9900 999.9900 .6034 .1033 .4704 .0456 .2226 .1652 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5315 -.3814 -.0010 .1529 26 LEU 26 -1.3832 -2.9612 999.9900 999.9900 .9565 -1.1293 .6752 .1517 .3698 -.5122 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .5815 .4634 .5159 .7040 28 PHE 28 .0766 -4.3038 999.9900 999.9900 .7573 -1.1567 .6796 .1106 .3477 -.5359 29 ASN 29 1.0488 .1986 999.9900 999.9900 .7518 .6664 .6759 .3792 .5028 .6109 30 GLU 30 -.2702 -1.6501 999.9900 -1.0323 .6899 -.5657 .6752 .5186 .5839 -.1782 31 TYR 31 -.5013 -4.1972 999.9900 999.9900 .5630 -1.3785 .6758 -.1633 .1863 -.7246 32 PHE 32 -2.7602 -3.6820 999.9900 999.9900 .7573 -1.8950 .4769 .1056 .2604 -1.0205 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5519 -.3696 .0143 .0838 34 ALA 34 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .4779 .3083 .3790 .2743 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5464 -.3552 .0205 .2651 36 PHE 36 -.5560 -1.8165 999.9900 999.9900 .7573 -.5384 .4798 .1166 .2680 -.2038 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5312 -.3515 .0163 .2043 38 ILE 38 -2.5128 -.6139 999.9900 999.9900 .6034 -.8411 .6606 .0467 .3025 -.3632 39 THR 39 .1631 999.9900 -.8810 999.9900 .4476 -.0901 .6610 -.2490 .1301 .0283 40 VAL 40 -.0582 999.9900 -.0276 999.9900 .7810 .2317 .6577 .1200 .3441 .2946 41 ASP 41 -.4836 .0530 999.9900 999.9900 .8104 .1266 .6716 .3688 .4950 .2841 42 LEU 42 -.5757 -3.3760 999.9900 999.9900 .9565 -.9984 .6757 .1414 .3640 -.4356 43 LEU 43 -.7230 .8730 999.9900 999.9900 .9565 .3688 .6743 .1523 .3698 .3866 44 ASP 44 -1.1212 -1.2961 999.9900 999.9900 .8104 -.5356 .6738 .3911 .5089 -.1084 45 TYR 45 -3.6999 -2.7782 999.9900 999.9900 .5630 -1.9717 .6765 -.1636 .1864 -1.0804 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6761 .5387 .5959 -.5180 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5722 .4634 .5117 -.1586 48 ARG 48 -.5270 -.8157 999.9900 .6901 .8581 .1791 .6768 .5116 .5805 .2977 49 SER 49 -.5771 999.9900 -.0289 999.9900 .6705 .0215 .6765 .5297 .5908 .2541 50 TRP 50 -.3875 -3.3859 999.9900 999.9900 .9378 -.9452 .6752 .1811 .3870 -.3959 51 THR 51 -.2319 999.9900 .9776 999.9900 .4476 .3978 .6612 -.2634 .1218 .3182 52 VAL 52 .3116 999.9900 -.5532 999.9900 .7810 .1798 .6584 .1222 .3456 .2640 53 ARG 53 -.4636 -2.8571 999.9900 1.0005 .8581 -.0923 .6737 .5228 .5857 .1050 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6786 .5235 .5881 -.0313 55 LYS 55 -.1765 -1.3520 999.9900 .2495 .7460 -.0567 .6726 .1526 .3692 .0774 56 LYS 56 -.6050 -1.8181 999.9900 .4411 .7460 -.1589 .6740 .1588 .3735 .0054 57 ARG 57 -2.0927 -2.8571 999.9900 .1593 .8581 -.7546 .6751 .5156 .5820 -.3689 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5714 .4650 .5123 -.2117 59 GLU 59 -1.0162 -1.9198 999.9900 -1.0323 .6899 -.8196 .6745 .5143 .5811 -.3483 60 LYS 60 -1.2734 -1.8181 999.9900 -.0397 .7460 -.4850 .6787 .1605 .3764 -.2265 61 VAL 61 -.0951 999.9900 -.2457 999.9900 .7810 .1467 .6558 .1243 .3458 .2441 62 PHE 62 -.1316 -1.2830 999.9900 999.9900 .7573 -.2191 .6803 .1054 .3449 .0257 63 LEU 63 -.2787 -3.3760 999.9900 999.9900 .9565 -.8994 .6752 .1486 .3680 -.3749 64 THR 64 -3.6133 999.9900 .2916 999.9900 .4476 -.9580 .6514 -.2672 .1155 -.4980 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6629 .1316 .3530 -.1421 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5788 .4618 .5138 -.0822 67 TRP 67 .4280 -1.6686 999.9900 999.9900 .9378 -.1009 .6765 .1876 .3913 .1123 68 GLU 68 .6833 -2.8418 999.9900 -1.0323 .6899 -.6253 .6810 .5142 .5837 -.2176 69 ASN 69 .1294 .3167 999.9900 999.9900 .7518 .3993 .6786 .3808 .5049 .4515 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6788 .1038 .3434 -.3920 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6573 .1219 .3450 .2930 72 LYS 72 .6780 -2.9005 999.9900 .9771 .7460 .0955 .6717 .1561 .3710 .1865 73 ASP 73 1.3227 -1.4542 999.9900 999.9900 .8104 .2263 .6779 .3752 .5013 .3464 74 ASN 74 -.0480 -3.3254 999.9900 999.9900 .7518 -.8738 .6743 .3755 .5000 -.3143 75 ASN 75 -2.3558 -.1488 999.9900 999.9900 .7518 -.5843 .6719 .3676 .4944 -.1427 76 LEU 76 -2.2364 -1.3608 999.9900 999.9900 .9565 -.8803 .6802 .1640 .3791 -.3593 77 GLU 77 -1.2742 .8034 999.9900 1.7325 .6899 .4879 .6834 .5301 .5940 .5275 78 ASP 78 -.9954 -.8657 999.9900 999.9900 .8104 -.3502 .6779 .3823 .5055 .0019 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5935 .4762 .5283 -.0215 80 LYS 80 -.7292 -.5910 999.9900 -.0397 .7460 -.1307 .6805 .1637 .3790 .0272 81 TYR 81 .0868 -.5584 999.9900 999.9900 .5630 .0304 .6774 -.1753 .1800 .1187 82 LEU 82 -.4738 -.1732 999.9900 999.9900 .9565 .1032 .6756 .1605 .3751 .2291 83 GLN 83 -.6340 -2.2325 999.9900 1.3059 .5113 -.2623 .6815 .5227 .5889 .0258 84 PHE 84 -.0168 -1.1947 999.9900 999.9900 .7573 -.1514 .6798 .1096 .3472 .0671 85 ILE 85 .3408 .0606 999.9900 999.9900 .6034 .3349 .6624 .0485 .3043 .3432 86 TYR 86 .0686 -.9448 999.9900 999.9900 .5630 -.1044 .6816 -.1854 .1759 .0366 87 ASP 87 -.6569 -.9533 999.9900 999.9900 .8104 -.2666 .6773 .3803 .5040 .0515 88 ARG 88 -1.9585 -2.3766 999.9900 .5548 .8581 -.4735 .6804 .5225 .5883 -.1664 89 ASP 89 -2.8635 -2.4630 999.9900 999.9900 .8104 -1.5054 .6825 .3864 .5098 -.6894 90 ARG 90 -1.5415 -2.8571 999.9900 .1593 .8581 -.6444 .6806 .5245 .5895 -.2881 91 THR 91 .3447 999.9900 -.2947 999.9900 .4476 .1659 .6529 -.2503 .1260 .1800 92 PHE 92 .0900 -.6308 999.9900 999.9900 .7573 .0722 .6797 .0994 .3412 .1991 93 TYR 93 .3730 .1342 999.9900 999.9900 .5630 .3567 .6766 -.1774 .1785 .3139 94 VAL 94 -.3909 999.9900 -.2457 999.9900 .7810 .0481 .6606 .1233 .3472 .1857 95 ILE 95 -.2113 -.7522 999.9900 999.9900 .6034 -.1200 .6564 .0400 .2968 .0673 96 ILE 96 .2593 -.0177 999.9900 999.9900 .6034 .2816 .6618 .0353 .2964 .3084 97 TYR 97 -.3077 .2775 999.9900 999.9900 .5630 .1776 .6775 -.1597 .1891 .2101 98 GLY 98 -.7692 999.9900 999.9900 999.9900 .7883 .0095 .5838 .4691 .5201 .2680 99 HIS 99 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6796 .3234 .4718 -.7912 100 ASN 100 -.2390 .2165 999.9900 999.9900 .7518 .2431 .6777 .3896 .5096 .3593 101 MET 101 -1.8017 -2.5481 999.9900 .9587 .5203 -.7177 .6771 .5170 .5837 -.2795 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .6801 .2320 .4240 .5917 Means: -.6823 -1.5461 -.3540 .2913 .7095 -.3006 .6514 .2119 .3958 -.0190 2.00 analyzed_2