1 GLU 1 999.9900 -1.7714 999.9900 -1.0323 .6899 -.7046 .6758 .5075 .5840 -.1861 2 ALA 2 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6716 .3211 .4671 -.1345 3 GLU 3 -1.2516 -2.3808 999.9900 -1.0323 .6899 -.9937 .6774 .5270 .5896 -.4618 4 VAL 4 -2.2509 999.9900 -1.0788 999.9900 .7810 -.8495 .6569 .1152 .3409 -.3553 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6688 .3233 .4673 -.9072 6 ASN 6 -2.0408 -2.0766 999.9900 999.9900 .7518 -1.1218 .6803 .3786 .5043 -.4613 7 GLN 7 -2.2003 -1.2219 999.9900 1.3059 .5113 -.4013 .6782 .5277 .5904 -.0665 8 LEU 8 .0762 -2.2115 999.9900 999.9900 .9565 -.3929 .6782 .1607 .3764 -.0680 9 GLU 9 -.4857 -1.1358 999.9900 .3501 .6899 -.1454 .6788 .5257 .5895 .1038 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6473 .0434 .2950 .3264 11 LYS 11 -.1919 -2.4344 999.9900 -.4035 .7460 -.5374 .6798 .1672 .3807 -.2629 12 PHE 12 .0490 .2875 999.9900 999.9900 .7573 .3646 .6706 .1043 .3403 .3738 13 ARG 13 -.4063 -.9348 999.9900 .6901 .8581 .1794 .6776 .5150 .5828 .2985 14 LEU 14 -2.0617 -2.5464 999.9900 999.9900 .9565 -1.2172 .6781 .1584 .3750 -.5630 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6598 -.2581 .1244 .0897 16 ASP 16 .0771 -1.4542 999.9900 999.9900 .8104 -.1889 .6785 .3780 .5032 .0979 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5814 .4696 .5193 .7383 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6846 .5331 .5962 .2845 19 ASP 19 -.9509 -2.4630 999.9900 999.9900 .8104 -.8678 .6795 .3841 .5072 -.3080 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6587 .0501 .3037 -.3926 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3336 .4689 .4088 .0154 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5434 -.3475 .0237 .2550 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6718 .1629 .3749 -.3526 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6672 .3175 .4632 .2378 25 PHE 25 -.1586 -.4548 999.9900 999.9900 .7573 .0480 .4903 .1001 .2627 .1468 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5510 -.3511 .0248 .2673 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6742 .3833 .5045 -.1396 28 ALA 28 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6618 .3241 .4648 .2245 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6571 -.2577 .1235 -.0837 30 THR 30 -.6474 999.9900 .6346 999.9900 .4476 .1449 .6558 -.2705 .1154 .1640 31 VAL 31 -1.6906 999.9900 -.0276 999.9900 .7810 -.3124 .6537 .1244 .3450 -.0318 32 SER 32 1.0911 999.9900 .6576 999.9900 .6705 .8064 .6802 .5285 .5917 .7256 33 ALA 33 -.2135 999.9900 999.9900 999.9900 .7458 .2661 .6689 .3176 .4640 .3797 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6761 .1504 .3694 -.1549 35 LYS 35 1.2214 -1.5020 999.9900 -.0770 .7460 .0623 .6767 .1607 .3757 .1641 36 GLU 36 .8604 -1.1891 999.9900 .3501 .6899 .1778 .6741 .5255 .5874 .3185 37 THR 37 .8703 999.9900 -.2947 999.9900 .4476 .3411 .6573 -.2635 .1202 .2834 38 VAL 38 1.0462 999.9900 .9224 999.9900 .7810 .9165 .6516 .1234 .3435 .7049 39 ILE 39 .7958 .8778 999.9900 999.9900 .6034 .7590 .6570 .0419 .2982 .5952 40 SER 40 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6794 .5318 .5933 .4515 41 GLU 41 .8171 -2.3808 999.9900 -1.0323 .6899 -.4765 .6712 .5138 .5794 -.1202 42 TRP 42 -.0620 -.4963 999.9900 999.9900 .9378 .1265 .4932 .2013 .3229 .2148 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5450 -.3699 .0113 -.1971 44 ARG 44 .2784 -2.3766 999.9900 .1593 .8581 -.1843 .6747 .5127 .5802 .0380 45 GLU 45 .3258 -1.6501 999.9900 1.1588 .6899 .1311 .6721 .5160 .5811 .2854 46 LYS 46 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6755 .1582 .3738 -.6346 47 GLU 47 -1.2516 -2.8418 999.9900 -1.0323 .6899 -1.1090 .6705 .5181 .5816 -.5412 48 ASN 48 -.2782 -.8859 999.9900 999.9900 .7518 -.1374 .6760 .3699 .4975 .1267 49 GLY 49 -.2180 999.9900 999.9900 999.9900 .7883 .2851 .3266 .4754 .4093 .3431 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5417 -.3795 .0044 .0788 51 LYS 51 -3.5196 -1.1257 999.9900 -.4035 .7460 -.9413 .6825 .1441 .3685 -.5542 52 THR 52 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6519 -.2688 .1148 -.0870 53 VAL 53 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6568 .1177 .3423 .3046 54 LYS 54 -.4018 -.2178 999.9900 .1731 .7460 .0945 .6768 .1504 .3698 .1857 55 GLU 55 -2.0601 .3642 999.9900 .3501 .6899 -.1640 .6750 .5238 .5868 .0905 56 VAL 56 .0482 999.9900 -1.0788 999.9900 .7810 -.0832 .6618 .1175 .3443 .1060 57 LYS 57 -.2512 -1.8181 999.9900 -.0770 .7460 -.2954 .6772 .1568 .3737 -.0919 58 LEU 58 .0986 -1.4996 999.9900 999.9900 .9565 -.1482 .6732 .1503 .3682 .0758 59 ILE 59 -.1241 .8237 999.9900 999.9900 .6034 .4343 .6656 .0331 .2966 .4003 60 SER 60 -1.3485 999.9900 -.7153 999.9900 .6705 -.4644 .6709 .5240 .5852 -.0397 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6639 .3271 .4675 -.1181 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5699 .4704 .5146 .4136 63 LYS 63 -.2023 -1.8181 999.9900 -.4035 .7460 -.4163 .6792 .1647 .3791 -.1768 64 VAL 64 -.4192 999.9900 .5873 999.9900 .7810 .3164 .6514 .1249 .3443 .3451 65 LEU 65 -.4371 -.3814 999.9900 999.9900 .9565 .0460 .6740 .1581 .3731 .1940 66 GLU 66 -1.9096 -.9977 999.9900 .3501 .6899 -.4668 .6748 .5118 .5798 -.1134 67 ASN 67 .1528 -.8859 999.9900 999.9900 .7518 .0062 .6789 .3809 .5051 .2157 68 SER 68 -.3100 999.9900 -.0289 999.9900 .6705 .1106 .6795 .5359 .5957 .3094 69 LYS 69 -.8010 -1.4228 999.9900 -.4035 .7460 -.4570 .6814 .1544 .3740 -.2070 70 THR 70 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6508 -.2667 .1156 -.1420 71 VAL 71 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6555 .1177 .3418 .1692 72 LYS 72 .6780 -.9951 999.9900 -.4035 .7460 -.0756 .6793 .1537 .3727 .0650 73 ASP 73 1.1359 -2.8653 999.9900 999.9900 .8104 -.3063 .6702 .3670 .4933 .0236 74 TYR 74 -.0930 -1.6488 999.9900 999.9900 .5630 -.3929 .6840 -.1777 .1813 -.1345 75 ARG 75 -.9010 -2.8571 999.9900 .6901 .8581 -.3040 .6701 .5147 .5794 -.0479 76 SER 76 -.2806 999.9900 -.7153 999.9900 .6705 -.1085 .4802 .5355 .5124 .1381 77 PRO 77 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5482 -.3402 .0300 -.9620 78 VAL 78 -1.3064 999.9900 -1.0788 999.9900 .7810 -.5347 .6534 .1304 .3483 -.1641 79 SER 79 -1.6374 999.9900 -.7153 999.9900 .6705 -.5607 .6760 .5332 .5927 -.0946 80 ASN 80 -.1896 -2.3357 999.9900 999.9900 .7518 -.5912 .6786 .3790 .5039 -.1432 81 LEU 81 -3.7702 -1.5540 999.9900 999.9900 .9565 -1.4559 .6768 .1673 .3796 -.7047 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6737 .3219 .4685 -.4308 83 GLY 83 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .5733 .4720 .5170 .1979 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6652 .3354 .4728 .1576 85 VAL 85 -.7345 999.9900 .7395 999.9900 .7810 .2620 .6588 .1187 .3437 .3127 86 THR 86 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6612 -.2582 .1249 .0629 87 THR 87 .2184 999.9900 .2916 999.9900 .4476 .3192 .6572 -.2479 .1292 .2734 88 MET 88 -.3206 -1.4323 999.9900 .9587 .5203 -.0685 .6780 .5191 .5853 .1539 89 HIS 89 -.2681 -.4813 999.9900 999.9900 .6686 -.0269 .6733 .3304 .4733 .1846 90 VAL 90 -.5494 999.9900 .3968 999.9900 .7810 .2095 .6648 .1257 .3503 .2838 91 ILE 91 .2593 -2.4201 999.9900 999.9900 .6034 -.5191 .6528 .0402 .2955 -.1729 92 ILE 92 .0718 -.9795 999.9900 999.9900 .6034 -.1015 .6557 .0544 .3050 .0812 93 GLN 93 -1.2769 -1.1512 999.9900 1.3059 .5113 -.1527 .6777 .5222 .5870 .0982 94 ALA 94 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .4875 .3084 .3831 .0230 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5493 -.3838 .0050 .0796 96 VAL 96 -.9305 999.9900 -1.0788 999.9900 .7810 -.4094 .6576 .1284 .3489 -.0884 97 THR 97 -1.6428 999.9900 -.8810 999.9900 .4476 -.6921 .6575 -.2407 .1336 -.3319 98 GLU 98 -2.3953 -2.3808 999.9900 -1.0323 .6899 -1.2796 .6785 .5258 .5894 -.6524 99 LYS 99 -1.7210 -1.1755 999.9900 -.0770 .7460 -.4609 .6791 .1411 .3653 -.2120 100 GLU 100 -2.2616 -.1645 999.9900 -1.0323 .6899 -.6921 .6767 .5234 .5873 -.2614 101 LYS 101 999.9900 -.1358 999.9900 -.4035 999.9900 -.3143 .6736 -.0333 .2697 -.0605 Means: -.6239 -1.4786 -.4243 -.0809 .6979 -.2717 .6472 .2059 .3904 -.0038 2.00 analyzed_9