1 MET 1 999.9900 .8879 999.9900 .9587 .5203 .7890 .6709 .5088 .5825 .7093 2 GLY 2 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5744 .4647 .5134 .2783 3 HIS 3 -.9818 -3.1083 999.9900 999.9900 .6686 -1.1405 .6754 .3333 .4758 -.4826 4 HIS 4 -.0187 -3.1083 999.9900 999.9900 .6686 -.8195 .6753 .3249 .4709 -.2916 5 HIS 5 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6836 .3255 .4747 -.7899 6 HIS 6 -.5497 -1.3248 999.9900 999.9900 .6686 -.4020 .6797 .3180 .4687 -.0416 7 HIS 7 -1.4902 -3.1083 999.9900 999.9900 .6686 -1.3100 .6793 .3227 .4713 -.5856 8 HIS 8 -.5879 -.2312 999.9900 999.9900 .6686 -.0502 .6760 .3234 .4703 .1698 9 LEU 9 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6792 .1520 .3717 -.5479 10 GLU 10 -2.3953 -2.3808 999.9900 .3501 .6899 -.9340 .6779 .5198 .5857 -.4231 11 MET 11 -1.5488 -2.5481 999.9900 .9587 .5203 -.6545 .6743 .5196 .5841 -.2373 12 ALA 12 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6613 .3303 .4682 -.2749 13 SER 13 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6741 .5310 .5906 -.3553 14 GLU 14 -2.5676 -.8493 999.9900 .3501 .6899 -.5942 .6751 .5185 .5838 -.1972 15 GLU 15 -1.9801 1.2230 999.9900 1.1588 .6899 .2729 .6779 .5215 .5867 .3818 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5758 .4665 .5151 .7155 17 GLN 17 -.8152 -.7946 999.9900 1.3059 .5113 .0518 .6770 .5216 .5863 .2343 18 VAL 18 .3372 999.9900 .1416 999.9900 .7810 .4200 .6571 .1298 .3495 .4094 19 ILE 19 -.9523 -1.4255 999.9900 999.9900 .6034 -.5914 .6598 .0485 .3032 -.2132 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6652 .3212 .4645 .1675 21 CYS 21 -.2217 999.9900 1.2918 999.9900 .9108 .6603 .6783 .3061 .4612 .5931 22 HIS 22 -1.1973 .4588 999.9900 999.9900 .6686 -.0233 .6804 .3325 .4775 .1886 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6558 -.2751 .1128 -.1223 24 VAL 24 -.2954 999.9900 -1.0788 999.9900 .7810 -.1977 .6586 .1348 .3531 .0401 25 GLU 25 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6770 .5217 .5864 -.1854 26 THR 26 .7717 999.9900 .2916 999.9900 .4476 .5036 .6539 -.2458 .1291 .3838 27 TRP 27 .9545 -1.9067 999.9900 999.9900 .9378 -.0048 .6763 .1786 .3860 .1681 28 ASN 28 .9310 -.8278 999.9900 999.9900 .7518 .2850 .6771 .3835 .5059 .3831 29 GLU 29 .7157 -2.1111 999.9900 1.1588 .6899 .1133 .6843 .5253 .5916 .2771 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6770 .5260 .5889 .1765 31 LEU 31 .8182 -1.3019 999.9900 999.9900 .9565 .1576 .6850 .1571 .3771 .2630 32 GLN 32 1.0064 -2.2325 999.9900 1.3059 .5113 .1478 .6715 .5128 .5789 .2959 33 LYS 33 .8536 -2.1617 999.9900 -.0397 .7460 -.1283 .6804 .1555 .3742 .0278 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6723 .3173 .4652 .5680 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6807 .3879 .5099 .0367 36 GLU 36 .6116 -2.3808 999.9900 -1.0323 .6899 -.5279 .6685 .5190 .5813 -.1540 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6819 .5399 .5991 .2846 38 LYS 38 -1.0405 -1.1755 999.9900 .3240 .7460 -.1644 .6731 .1606 .3741 .0017 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6591 -.2438 .1324 -.0435 40 LEU 40 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6799 .1522 .3721 -.3835 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6599 .1150 .3421 .1107 42 VAL 42 .1158 999.9900 -.2457 999.9900 .7810 .2170 .6629 .1217 .3472 .2871 43 VAL 43 -.3818 999.9900 -.0276 999.9900 .7810 .1239 .6595 .1293 .3502 .2321 44 ASP 44 -.2609 -1.4542 999.9900 999.9900 .8104 -.3016 .6688 .3784 .4994 .0285 45 PHE 45 -.2560 -.6459 999.9900 999.9900 .7573 -.0482 .6704 .1070 .3417 .1266 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6483 -.2633 .1165 -.0232 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6630 .3194 .4626 .2986 48 SER 48 .6980 999.9900 .6576 999.9900 .6705 .6754 .6761 .5333 .5928 .6471 49 TRP 49 -1.3140 -1.0414 999.9900 999.9900 .9378 -.4725 .6726 .1890 .3905 -.1112 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6756 .3105 .4626 -.1560 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3330 .4766 .4128 -.0114 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5420 -.3327 .0318 .0634 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6730 .3149 .4641 .1675 54 ARG 54 .6041 -2.0954 999.9900 .5548 .8581 .0953 .6785 .5116 .5811 .2381 55 PHE 55 .1779 -.8310 999.9900 999.9900 .7573 .0347 .6727 .0927 .3344 .1739 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6541 .0343 .2926 -.6605 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4722 .3171 .3817 .4747 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5333 -.3671 .0081 -.1245 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6773 .1114 .3472 .1960 60 PHE 60 .8041 -3.3183 999.9900 999.9900 .7573 -.5856 .6794 .1050 .3443 -.1945 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6702 .3130 .4618 .5946 62 ASP 62 1.3227 -1.1646 999.9900 999.9900 .8104 .3229 .6817 .3815 .5066 .4064 63 LEU 63 .8786 -2.2115 999.9900 999.9900 .9565 -.1255 .6749 .1528 .3704 .0903 64 ALA 64 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6650 .3304 .4698 .5977 65 LYS 65 .4938 -2.1617 999.9900 .6177 .7460 .0627 .6708 .1557 .3703 .1629 66 LYS 66 -.6960 -.1814 999.9900 -.4035 .7460 -.1877 .6693 .1498 .3663 -.0170 67 LEU 67 -1.9234 -3.3760 999.9900 999.9900 .9565 -1.4476 .4962 .1452 .2915 -.7403 68 PRO 68 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5388 -.3702 .0085 -.4246 69 ASN 69 -2.3558 -2.7010 999.9900 999.9900 .7518 -1.4350 .6767 .3733 .4997 -.6510 70 VAL 70 -.3682 999.9900 -.5532 999.9900 .7810 -.0468 .6514 .1201 .3415 .1263 71 LEU 71 .0762 -2.2115 999.9900 999.9900 .9565 -.3929 .6807 .1457 .3686 -.0705 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6767 .1034 .3422 -.1822 73 LEU 73 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6833 .1593 .3776 -.4064 74 LYS 74 -.6747 -2.1617 999.9900 -.4035 .7460 -.5795 .6709 .1536 .3691 -.2961 75 VAL 75 .5332 999.9900 .7395 999.9900 .7810 .6846 .6523 .1253 .3449 .5663 76 ASP 76 -.1054 -2.3194 999.9900 999.9900 .8104 -.5381 .6716 .3627 .4914 -.1160 77 THR 77 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6577 -.2647 .1196 .0182 78 ASP 78 .9921 -1.1954 999.9900 999.9900 .8104 .2024 .6752 .3815 .5039 .3328 79 GLU 79 -.2326 -1.6501 999.9900 -1.0323 .6899 -.5563 .6765 .5256 .5885 -.1705 80 LEU 80 -3.3085 -3.3760 999.9900 999.9900 .9565 -1.9093 .6772 .1631 .3773 -.9775 81 LYS 81 .6780 -1.5918 999.9900 .8261 .7460 .2969 .6747 .1648 .3773 .3320 82 SER 82 1.1864 999.9900 -.0289 999.9900 .6705 .6093 .6740 .5294 .5897 .6063 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6568 .1142 .3403 .1384 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6636 .3178 .4619 .6378 85 SER 85 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6808 .5324 .5943 .4710 86 ASP 86 1.1285 -2.6388 999.9900 999.9900 .8104 -.2333 .6738 .3746 .4992 .0697 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6801 .1906 .3946 .0814 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6639 .3201 .4634 .0142 89 ILE 89 -2.5128 -.6139 999.9900 999.9900 .6034 -.8411 .6583 .0302 .2919 -.3670 90 GLN 90 -.8581 -1.9601 999.9900 1.3059 .5113 -.2503 .6708 .5095 .5767 .0299 91 ALA 91 -.7688 999.9900 999.9900 999.9900 .7458 -.0115 .6702 .3229 .4676 .2425 92 MET 92 -.6588 -1.3058 999.9900 1.7963 -1.9874 -.5389 .4782 .5229 .5043 -.1924 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5503 -.3446 .0282 .2687 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6579 -.2742 .1142 .0882 95 PHE 95 -.2255 -1.1403 999.9900 999.9900 .7573 -.2028 .6773 .1075 .3449 .0353 96 MET 96 -.2520 .1064 999.9900 .9587 .5203 .3333 .6725 .5215 .5844 .4212 97 PHE 97 -.4973 -3.6820 999.9900 999.9900 .7573 -1.1407 .6709 .1010 .3384 -.5300 98 LEU 98 -1.2966 -1.3209 999.9900 999.9900 .9565 -.5537 .6818 .1580 .3762 -.1642 99 LYS 99 -.6960 -2.1617 999.9900 -.0397 .7460 -.4382 .6736 .1623 .3754 -.1936 100 GLU 100 -1.2742 -.7281 999.9900 .3501 .6899 -.2406 .6760 .5213 .5858 .0392 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5801 .4799 .5245 .7199 102 LYS 102 -.3543 -2.1617 999.9900 -.4035 .7460 -.5154 .6768 .1581 .3742 -.2489 103 ILE 103 -1.3252 -.8802 999.9900 999.9900 .6034 -.5340 .6569 .0587 .3079 -.1773 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6831 .1535 .3741 -.2694 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6800 .3706 .4995 -.2176 106 LYS 106 -1.5497 -.9566 999.9900 -.4035 .7460 -.5135 .6764 .1501 .3694 -.2487 107 VAL 107 -.0463 999.9900 .3968 999.9900 .7810 .3772 .6572 .1257 .3471 .3829 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6599 .1281 .3497 .0199 109 GLY 109 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5763 .4626 .5131 .3068 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6641 .3057 .4550 .0664 111 LYS 111 -.9887 -1.5918 999.9900 -.4035 .7460 -.5283 .6789 .1566 .3742 -.2580 112 LYS 112 .8536 -2.1617 999.9900 -.4035 .7460 -.2738 .6780 .1577 .3745 -.0762 113 ASP 113 .6354 -.4801 999.9900 999.9900 .8104 .3219 .6708 .3718 .4964 .4016 114 GLU 114 .8733 -.7859 999.9900 -1.0323 .6899 -.0638 .6700 .5183 .5815 .1555 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6797 .1564 .3744 -.0769 116 GLN 116 .1632 .5127 999.9900 1.3059 .5113 .6233 .6782 .5227 .5875 .6157 117 SER 117 .5030 999.9900 -.7153 999.9900 .6705 .1527 .6676 .5324 .5887 .3316 118 THR 118 .8748 999.9900 .0483 999.9900 .4476 .4569 .6605 -.2592 .1240 .3544 119 ILE 119 .6852 -1.7297 999.9900 999.9900 .6034 -.1470 .6589 .0396 .2977 .0515 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6675 .3254 .4679 .5688 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6718 .1659 .3767 -.0878 122 HIS 122 .1567 .2086 999.9900 999.9900 .6686 .3447 .6794 .3308 .4760 .4088 123 LEU 123 -.1836 -3.3760 999.9900 999.9900 .9565 -.8677 .6716 .1586 .3723 -.3546 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6544 .2709 .4352 .4626 Means: -.3009 -1.7313 -.3696 .2120 .7026 -.2149 .6578 .2395 .4143 .0422 2.00 analyzed_16