1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6686 .5063 .5801 .0211 2 GLY 2 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5884 .4716 .5235 -.2058 3 HIS 3 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6740 .3291 .4728 -.9050 4 HIS 4 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6757 .3250 .4711 -.6295 5 HIS 5 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .6732 .3185 .4663 -.6429 6 HIS 6 -2.5191 -2.4183 999.9900 999.9900 .6686 -1.4229 .6737 .3256 .4707 -.6539 7 HIS 7 -1.0475 -.2881 999.9900 999.9900 .6686 -.2223 .6764 .3153 .4658 .0650 8 HIS 8 -2.5191 -2.4183 999.9900 999.9900 .6686 -1.4229 .6791 .3236 .4717 -.6532 9 LEU 9 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6778 .1595 .3754 -1.0705 10 GLU 10 -1.8465 -.4771 999.9900 -1.0323 .6899 -.6665 .6810 .5274 .5914 -.2430 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6806 .5204 .5871 -.4224 12 ALA 12 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6610 .3204 .4623 .2234 13 SER 13 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6786 .5314 .5927 -.3543 14 GLU 14 -1.6450 -2.1111 999.9900 -1.0323 .6899 -1.0246 .6745 .5076 .5771 -.4861 15 GLU 15 -3.2255 -.8493 999.9900 -1.0323 .6899 -1.1043 .6832 .5167 .5861 -.5362 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5752 .4549 .5084 .7178 17 GLN 17 -.3854 -2.2325 999.9900 1.3059 .5113 -.2002 .6805 .5219 .5880 .0669 18 VAL 18 .5332 999.9900 .4980 999.9900 .7810 .6041 .6603 .1237 .3473 .5192 19 ILE 19 -.1621 -1.9342 999.9900 999.9900 .6034 -.4977 .6600 .0459 .3017 -.1574 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6679 .3210 .4656 .1681 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6770 .3142 .4653 .3313 22 HIS 22 -1.1973 .8438 999.9900 999.9900 .6686 .1050 .6768 .3343 .4770 .2652 23 THR 23 -.8088 999.9900 .8779 999.9900 .4476 .1723 .6593 -.2559 .1254 .1840 24 VAL 24 .3707 999.9900 -.0276 999.9900 .7810 .3747 .6561 .1164 .3413 .3793 25 GLU 25 .7157 -2.3808 999.9900 -1.0323 .6899 -.5019 .6779 .5197 .5856 -.1350 26 THR 26 1.2375 999.9900 .4804 999.9900 .4476 .7218 .6548 -.2735 .1133 .5093 27 TRP 27 .3500 -1.3095 999.9900 999.9900 .9378 -.0073 .6790 .1991 .3991 .1713 28 ASN 28 1.1678 -2.0766 999.9900 999.9900 .7518 -.0523 .6782 .3827 .5058 .1808 29 GLU 29 .8604 -2.1111 999.9900 1.1588 .6899 .1495 .6787 .5218 .5872 .2997 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6818 .5195 .5871 .1762 31 LEU 31 .8182 -2.5464 999.9900 999.9900 .9565 -.2572 .6751 .1533 .3707 .0114 32 GLN 32 1.0064 -2.6982 999.9900 1.3059 .5113 .0314 .6730 .5201 .5838 .2198 33 LYS 33 .8536 -2.4344 999.9900 .3240 .7460 -.0373 .6751 .1575 .3732 .0923 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6672 .3189 .4640 .5671 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6736 .3838 .5045 .0345 36 GLU 36 .1449 -.1186 999.9900 -1.0323 .6899 -.0790 .6771 .5243 .5879 .1475 37 SER 37 -.0963 999.9900 -.7153 999.9900 .6705 -.0471 .6790 .5343 .5946 .2144 38 LYS 38 -1.2247 -1.1755 999.9900 .2868 .7460 -.2161 .6793 .1690 .3816 -.0332 39 THR 39 .2086 999.9900 -.8810 999.9900 .4476 -.0750 .6609 -.2434 .1334 .0385 40 LEU 40 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6810 .1559 .3747 -.3879 41 VAL 41 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6613 .1251 .3485 .1729 42 VAL 42 .3116 999.9900 .6672 999.9900 .7810 .5866 .6608 .1286 .3503 .5098 43 VAL 43 .4077 999.9900 -.2457 999.9900 .7810 .3143 .6620 .1226 .3473 .3455 44 ASP 44 -.2609 -.5463 999.9900 999.9900 .8104 .0011 .6775 .3825 .5054 .2126 45 PHE 45 -.3673 .8160 999.9900 999.9900 .7573 .4020 .6817 .0909 .3371 .3957 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6588 -.2666 .1190 -.0218 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6660 .3334 .4720 .3029 48 SER 48 .7489 999.9900 .3727 999.9900 .6705 .5974 .6776 .5328 .5931 .6005 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6822 .1875 .3936 -.2350 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6751 .3204 .4682 -.1544 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3466 .4693 .4148 -.0098 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5465 -.3558 .0201 -.1184 53 CYS 53 -.1941 -1.0630 999.9900 .2382 .9108 -.0270 .6792 .3085 .4630 .1466 54 ARG 54 .8469 -.5720 999.9900 .1593 .8581 .2903 .6803 .5147 .5837 .3781 55 PHE 55 .1779 -.1998 999.9900 999.9900 .7573 .2451 .6746 .1106 .3456 .3041 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6574 .0520 .3042 -.6563 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4951 .3080 .3860 .4782 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5539 -.3469 .0284 -.1143 59 PHE 59 1.0502 -.8499 999.9900 999.9900 .7573 .3192 .6796 .1105 .3476 .3496 60 PHE 60 .6090 .1483 999.9900 999.9900 .7573 .5049 .6741 .0985 .3384 .4575 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6606 .3108 .4565 .5202 62 ASP 62 1.1359 -1.6521 999.9900 999.9900 .8104 .0981 .6784 .3858 .5077 .2717 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6792 .1580 .3751 .0164 64 ALA 64 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6647 .3249 .4665 .5248 65 LYS 65 .4938 .0465 999.9900 .2495 .7460 .3571 .6744 .1560 .3720 .3737 66 LYS 66 -.0075 -1.8181 999.9900 -.0397 .7460 -.2318 .6800 .1627 .3783 -.0452 67 LEU 67 -1.9234 -1.3818 999.9900 999.9900 .9565 -.7829 .4901 .1470 .2900 -.3423 68 PRO 68 -1.9661 999.9900 999.9900 999.9900 .4496 -.7582 .5504 -.3768 .0095 -.3357 69 ASN 69 -2.8943 -2.0766 999.9900 999.9900 .7518 -1.4064 .6744 .3752 .4999 -.6339 70 VAL 70 -.3682 999.9900 .2799 999.9900 .7810 .2309 .6616 .1212 .3463 .2951 71 LEU 71 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6768 .1706 .3815 -.1638 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6809 .1072 .3463 -.1806 73 LEU 73 -.4738 -3.3760 999.9900 999.9900 .9565 -.9644 .6773 .1558 .3731 -.4120 74 LYS 74 -.3609 -1.9682 999.9900 .3240 .7460 -.1870 .6727 .1523 .3691 -.0157 75 VAL 75 .5686 999.9900 -.2457 999.9900 .7810 .3680 .6470 .1316 .3463 .3765 76 ASP 76 -.0991 -2.8653 999.9900 999.9900 .8104 -.7180 .6822 .3846 .5086 -.2174 77 THR 77 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6567 -.2636 .1198 .0182 78 ASP 78 .2994 -3.7306 999.9900 999.9900 .8104 -.8736 .6792 .3920 .5117 -.3099 79 GLU 79 -2.2616 -1.5476 999.9900 1.1588 .6899 -.4901 .6725 .5265 .5874 -.1269 80 LEU 80 -3.3085 -2.5464 999.9900 999.9900 .9565 -1.6328 .6726 .1541 .3701 -.8143 81 LYS 81 .6780 -1.8181 999.9900 -.4035 .7460 -.2402 .6783 .1617 .3770 -.0516 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6753 .5338 .5927 .4701 83 VAL 83 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6564 .1208 .3440 .2496 84 ALA 84 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6736 .3275 .4717 .6276 85 SER 85 1.0911 999.9900 -.0289 999.9900 .6705 .5776 .6693 .5279 .5868 .5860 86 ASP 86 .6201 -1.3712 999.9900 999.9900 .8104 .0198 .6743 .3762 .5004 .2220 87 TRP 87 -.6038 -.0877 999.9900 999.9900 .9378 .0821 .6736 .1840 .3880 .2208 88 ALA 88 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6702 .3217 .4669 -.1758 89 ILE 89 -1.7126 .8778 999.9900 999.9900 .6034 -.0771 .6517 .0437 .2970 .0928 90 GLN 90 -1.1984 -1.7668 999.9900 1.3059 .5113 -.2870 .6795 .5272 .5907 .0098 91 ALA 91 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6644 .3170 .4618 .2370 92 MET 92 -.8637 -.4711 999.9900 .9587 -1.9874 -.5909 .4860 .5138 .5022 -.2273 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5454 -.3503 .0229 .2661 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6603 -.2577 .1248 .0920 95 PHE 95 -.2255 -.4548 999.9900 999.9900 .7573 .0257 .6767 .1106 .3465 .1729 96 MET 96 -.2651 -1.1990 999.9900 .9587 .5203 .0037 .6783 .5203 .5861 .2023 97 PHE 97 -.4973 -3.6820 999.9900 999.9900 .7573 -1.1407 .6761 .0896 .3340 -.5313 98 LEU 98 -1.1512 -2.5464 999.9900 999.9900 .9565 -.9137 .6828 .1507 .3724 -.3815 99 LYS 99 -.4529 -.6131 999.9900 .3546 .7460 .0779 .6836 .1512 .3730 .1749 100 GLU 100 -1.9096 -.4584 999.9900 .3501 .6899 -.3320 .6713 .5241 .5854 -.0221 101 GLY 101 .5072 999.9900 999.9900 999.9900 .7883 .6477 .5826 .4702 .5202 .5871 102 LYS 102 -.3543 -2.4344 999.9900 -.0397 .7460 -.4244 .6819 .1603 .3776 -.1829 103 ILE 103 -.8951 -3.0500 999.9900 999.9900 .6034 -1.1139 .6487 .0528 .3011 -.5280 104 LEU 104 -2.5767 -1.2483 999.9900 999.9900 .9565 -.9562 .6745 .1550 .3714 -.4078 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6758 .3758 .5008 -.2173 106 LYS 106 -1.0774 -2.9005 999.9900 -.0770 .7460 -.6772 .6830 .1582 .3768 -.3635 107 VAL 107 .0764 999.9900 .4980 999.9900 .7810 .4518 .6578 .1132 .3401 .4253 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6578 .1293 .3495 .0197 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5785 .4687 .5175 .3555 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6679 .3267 .4689 .0726 111 LYS 111 -.9887 -1.2293 999.9900 -.4035 .7460 -.4558 .6750 .1538 .3709 -.2072 112 LYS 112 .9451 -1.9682 999.9900 .1731 .7460 .0138 .6777 .1729 .3832 .1314 113 ASP 113 1.0815 -2.4630 999.9900 999.9900 .8104 -.1904 .6772 .3797 .5036 .0971 114 GLU 114 1.0761 -1.1891 999.9900 -1.0323 .6899 -.1139 .6735 .5246 .5866 .1238 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6802 .1698 .3825 -.1353 116 GLN 116 .1632 -2.2325 999.9900 1.3059 .5113 -.0630 .6664 .5161 .5787 .1550 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6791 .5314 .5929 .4083 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6571 -.2486 .1288 .1494 119 ILE 119 .6852 .6227 999.9900 999.9900 .6034 .6371 .6541 .0480 .3006 .5227 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6657 .3243 .4665 .5681 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6834 .1633 .3800 -.0865 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6792 .3230 .4714 .4926 123 LEU 123 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6726 .1685 .3786 -.3817 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6639 .2474 .4259 .4557 Means: -.4028 -1.7267 -.3020 .1809 .7026 -.2451 .6592 .2406 .4155 .0242 2.00 analyzed_15