1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6707 .5016 .5785 .0206 2 ALA 2 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6700 .3181 .4647 -.1357 3 ASP 3 -1.3872 -1.4992 999.9900 999.9900 .8104 -.6920 .6799 .3886 .5100 -.2015 4 THR 4 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6599 -.2509 .1286 -.5739 5 GLY 5 -.8710 999.9900 999.9900 999.9900 .7883 -.0413 .5960 .4708 .5265 .2460 6 GLU 6 -.2789 -1.5476 999.9900 -1.0323 .6899 -.5422 .6761 .5210 .5857 -.1620 7 VAL 7 -.0463 999.9900 .1416 999.9900 .7810 .2921 .6610 .1148 .3424 .3304 8 GLN 8 -.5881 -1.9601 999.9900 1.3059 .5113 -.1827 .6759 .5240 .5873 .0782 9 PHE 9 -.0803 -2.0028 999.9900 999.9900 .7573 -.4419 .6824 .1074 .3470 -.1072 10 MET 10 -.0824 .0095 999.9900 .9587 .5203 .3515 .6771 .5145 .5822 .4329 11 LYS 11 -.5771 -.4366 999.9900 -.0770 .7460 -.0843 .4795 .1638 .2953 .0316 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5450 -.3662 .0135 .2507 13 PHE 13 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6746 .1074 .3438 -.5323 14 ILE 14 .5210 -1.0114 999.9900 999.9900 .6034 .0377 .6578 .0364 .2953 .1615 15 SER 15 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6825 .5340 .5959 .4095 16 GLU 16 .8733 -2.3808 999.9900 .3501 .6899 -.1169 .6838 .5304 .5943 .1245 17 LYS 17 -2.0221 -1.8181 999.9900 -.4035 .7460 -.7803 .6734 .1614 .3748 -.4381 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6682 .5210 .5823 .2566 19 SER 19 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6804 .5275 .5912 .3458 20 LYS 20 -3.5196 -1.5020 999.9900 -.4035 .7460 -1.0165 .6768 .1462 .3673 -.6085 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6817 .5320 .5944 .1345 22 LEU 22 -1.0889 -3.3760 999.9900 999.9900 .9565 -1.1695 .6769 .1551 .3725 -.5353 23 GLU 23 -.6163 -.9977 999.9900 -1.0323 .6899 -.4891 .6709 .5219 .5840 -.1273 24 ILE 24 -.1408 -.3760 999.9900 999.9900 .6034 .0289 .4656 .0385 .2165 .1181 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5309 -.3754 .0022 .1543 26 LEU 26 -.5228 -3.3760 999.9900 999.9900 .9565 -.9808 .6781 .1565 .3738 -.4215 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5892 .4722 .5242 .5058 28 PHE 28 -1.7494 -4.3038 999.9900 999.9900 .7573 -1.7653 .6778 .1029 .3424 -.9030 29 ASN 29 1.1272 -.0252 999.9900 999.9900 .7518 .6180 .6818 .3850 .5087 .5841 30 GLU 30 -.4919 -.4051 999.9900 1.1588 .6899 .2379 .6761 .5238 .5872 .3586 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6818 -.1578 .1920 -.5553 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4778 .0920 .2527 -.5560 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5364 -.3691 .0082 .2478 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4730 .3197 .3836 .2738 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5301 -.4063 -.0161 .2483 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4782 .0892 .2513 -.8974 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5398 -.3628 .0133 .2036 38 ILE 38 -.2490 -2.2551 999.9900 999.9900 .6034 -.6336 .6553 .0223 .2860 -.2446 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6543 -.2551 .1238 -.1686 40 VAL 40 -.0523 999.9900 .4980 999.9900 .7810 .4089 .6611 .1230 .3472 .4022 41 ASP 41 -1.0681 -1.2611 999.9900 999.9900 .8104 -.5063 .6785 .3787 .5037 -.0923 42 LEU 42 -.1655 .6236 999.9900 999.9900 .9565 .4715 .6845 .1605 .3788 .4519 43 LEU 43 -.1655 -2.4128 999.9900 999.9900 .9565 -.5406 .6769 .1501 .3696 -.1590 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6780 .3765 .5021 -.5043 45 TYR 45 -2.5417 -.9448 999.9900 999.9900 .5630 -.9745 .6730 -.1689 .1819 -.4839 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6732 .5303 .5899 -.4164 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5914 .4776 .5282 -.0751 48 ARG 48 -.5733 -1.5080 999.9900 .1593 .8581 -.1809 .6799 .5160 .5843 .0416 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6709 .5298 .5886 .2387 50 TRP 50 -.2197 -.6490 999.9900 999.9900 .9378 .0230 .6764 .1909 .3932 .1873 51 THR 51 .2423 999.9900 1.4642 999.9900 .4476 .7181 .6574 -.2599 .1223 .5103 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6546 .1337 .3507 .0952 53 ARG 53 -.4439 -1.6149 999.9900 .1593 .8581 -.1764 .6770 .5197 .5852 .0450 54 MET 54 -.1025 -1.1990 999.9900 .9587 .5203 .0444 .6788 .5214 .5870 .2296 55 LYS 55 -.6340 -1.5020 999.9900 -.4035 .7460 -.4394 .6775 .1571 .3740 -.1946 56 LYS 56 -.2858 -1.2879 999.9900 -.4035 .7460 -.3269 .6797 .1481 .3696 -.1153 57 ARG 57 -1.2223 -1.7413 999.9900 .1593 .8581 -.3574 .6799 .5153 .5839 -.0845 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5731 .4660 .5136 .3069 59 GLU 59 -.6726 -.0067 999.9900 -1.0323 .6899 -.2554 .6751 .5200 .5846 .0289 60 LYS 60 -.1867 .6318 999.9900 -.0397 .7460 .2223 .6723 .1420 .3629 .2751 61 VAL 61 .4158 999.9900 -.5532 999.9900 .7810 .2146 .6621 .1076 .3386 .2827 62 PHE 62 -.3916 -.9296 999.9900 999.9900 .7573 -.1880 .6807 .0971 .3403 .0428 63 LEU 63 -.7582 -2.5464 999.9900 999.9900 .9565 -.7827 .6735 .1462 .3659 -.3057 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6596 -.2452 .1318 -.7278 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6539 .1321 .3495 -.1438 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5747 .4702 .5166 -.2848 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6727 .1924 .3925 -.4551 68 GLU 68 .8604 -2.1111 999.9900 .3501 .6899 -.0527 .6798 .5255 .5898 .1658 69 ASN 69 1.1117 -1.8756 999.9900 999.9900 .7518 -.0040 .6795 .3858 .5082 .2107 70 PHE 70 .8041 -1.6164 999.9900 999.9900 .7573 -.0183 .6796 .1065 .3453 .1462 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6569 .1257 .3470 .2937 72 LYS 72 .6780 -1.1257 999.9900 -.4035 .7460 -.1017 .6784 .1631 .3778 .0475 73 ASP 73 .9921 -1.9171 999.9900 999.9900 .8104 -.0382 .6726 .3825 .5034 .1881 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6812 .3854 .5087 -.0780 75 ASN 75 -2.1824 -.5828 999.9900 999.9900 .7518 -.6711 .6817 .3793 .5053 -.1905 76 LEU 76 -3.3085 -2.1315 999.9900 999.9900 .9565 -1.4945 .6728 .1635 .3757 -.7294 77 GLU 77 -1.3743 -.8834 999.9900 .3501 .6899 -.3044 .6754 .5286 .5898 -.0023 78 ASP 78 -.7312 -2.0928 999.9900 999.9900 .8104 -.6712 .6713 .3783 .5004 -.1928 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5927 .4763 .5281 -.4073 80 LYS 80 -.7292 .0465 999.9900 -.4035 .7460 -.1487 .6808 .1518 .3722 .0127 81 TYR 81 -.0710 -1.6488 999.9900 999.9900 .5630 -.3856 .6760 -.1838 .1745 -.1329 82 LEU 82 -.3571 -1.8410 999.9900 999.9900 .9565 -.4139 .6726 .1595 .3733 -.0819 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6766 .5240 .5876 .0205 84 PHE 84 -.2457 -1.7109 999.9900 999.9900 .7573 -.3997 .6765 .1124 .3474 -.0821 85 ILE 85 .1597 -1.9342 999.9900 999.9900 .6034 -.3904 .6626 .0406 .2997 -.0936 86 TYR 86 .4225 -.9448 999.9900 999.9900 .5630 .0135 .6765 -.1851 .1739 .1064 87 ASP 87 -1.6275 -.4309 999.9900 999.9900 .8104 -.4160 .6808 .3879 .5099 -.0359 88 ARG 88 -1.9585 -2.3766 999.9900 .6901 .8581 -.4194 .6727 .5186 .5828 -.1294 89 ASP 89 -2.3854 -1.1646 999.9900 999.9900 .8104 -.9132 .6787 .3889 .5097 -.3344 90 ARG 90 -1.7561 -1.1343 999.9900 .5548 .8581 -.1845 .6765 .5241 .5876 .0397 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6522 -.2618 .1190 .0931 92 PHE 92 -.0168 -.0090 999.9900 999.9900 .7573 .2439 .6762 .1057 .3434 .3027 93 TYR 93 .0500 .8492 999.9900 999.9900 .5630 .4874 .6836 -.1887 .1748 .3914 94 VAL 94 -.9687 999.9900 .8055 999.9900 .7810 .2060 .6557 .1157 .3407 .2779 95 ILE 95 -.9405 -1.1192 999.9900 999.9900 .6034 -.4854 .6576 .0292 .2910 -.1539 96 ILE 96 .3059 -1.2277 999.9900 999.9900 .6034 -.1062 .6530 .0426 .2969 .0754 97 TYR 97 -.3077 .2608 999.9900 999.9900 .5630 .1720 .6768 -.1754 .1797 .2035 98 GLY 98 -.6797 999.9900 999.9900 999.9900 .7883 .0543 .5718 .4722 .5165 .2881 99 HIS 99 -.3517 -1.1713 999.9900 999.9900 .6686 -.2848 .6763 .3312 .4750 .0306 100 ASN 100 .0096 .0199 999.9900 999.9900 .7518 .2604 .6788 .3894 .5100 .3699 101 MET 101 -.4143 -1.7864 999.9900 .9587 .5203 -.1804 .6756 .5029 .5749 .0761 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6780 .2497 .4332 .3524 Means: -.6432 -1.5093 -.3484 .1007 .7095 -.3033 .6514 .2113 .3955 -.0207 2.00 analyzed_8