1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6749 .5078 .5838 .0227 2 GLY 2 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .5794 .4767 .5223 .2321 3 HIS 3 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6763 .3262 .4721 -.7913 4 HIS 4 -1.6168 -.2312 999.9900 999.9900 .6686 -.3931 .6724 .3216 .4678 -.0371 5 HIS 5 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6801 .3266 .4739 -.6766 6 HIS 6 -.1922 -3.1083 999.9900 999.9900 .6686 -.8773 .6784 .3389 .4804 -.3229 7 HIS 7 -2.5191 -1.7284 999.9900 999.9900 .6686 -1.1929 .6765 .3170 .4668 -.5171 8 HIS 8 -1.2838 -1.7284 999.9900 999.9900 .6686 -.7812 .6834 .3304 .4775 -.2660 9 LEU 9 -2.1729 -2.4128 999.9900 999.9900 .9565 -1.2098 .6795 .1647 .3792 -.5570 10 GLU 10 -1.8465 -.4771 999.9900 -1.0323 .6899 -.6665 .6727 .5304 .5897 -.2438 11 MET 11 -.5049 -2.5481 999.9900 .9587 .5203 -.3935 .6783 .5239 .5883 -.0620 12 ALA 12 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 .6631 .3247 .4657 .0623 13 SER 13 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6747 .5284 .5893 -.3557 14 GLU 14 -2.1524 -2.1111 999.9900 .3501 .6899 -.8059 .6806 .5223 .5883 -.3368 15 GLU 15 -2.8104 -1.7714 999.9900 -1.0323 .6899 -1.2310 .6821 .5244 .5901 -.6196 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5769 .4611 .5126 .7198 17 GLN 17 -.3854 -2.2325 999.9900 1.3059 .5113 -.2002 .6740 .5204 .5844 .0656 18 VAL 18 -.0951 999.9900 -.2457 999.9900 .7810 .1467 .6601 .1287 .3501 .2458 19 ILE 19 -.4647 -.9795 999.9900 999.9900 .6034 -.2803 .6543 .0519 .3029 -.0269 20 ALA 20 -1.1448 999.9900 999.9900 999.9900 .7458 -.1995 .6686 .3162 .4630 .1465 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6763 .3064 .4605 .3003 22 HIS 22 -1.1973 -.9211 999.9900 999.9900 .6686 -.4833 .6826 .3266 .4749 -.0881 23 THR 23 -.5585 999.9900 .2916 999.9900 .4476 .0602 .6532 -.2475 .1278 .1173 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6560 .1380 .3538 .2445 25 GLU 25 .7157 -2.1111 999.9900 -1.0323 .6899 -.4345 .6805 .5271 .5910 -.0884 26 THR 26 1.2375 999.9900 .4804 999.9900 .4476 .7218 .6528 -.2473 .1277 .5142 27 TRP 27 .9545 -1.9067 999.9900 999.9900 .9378 -.0048 .6697 .1892 .3894 .1689 28 ASN 28 1.1678 -2.0766 999.9900 999.9900 .7518 -.0523 .6728 .3791 .5015 .1790 29 GLU 29 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6806 .5219 .5880 -.0326 30 GLN 30 .9732 -2.2325 999.9900 2.7911 .5113 .5108 .6822 .5179 .5864 .5405 31 LEU 31 .9913 -2.5464 999.9900 999.9900 .9565 -.1995 .6779 .1434 .3661 .0445 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6739 .5223 .5855 .1767 33 LYS 33 .6780 -1.6955 999.9900 .9953 .7460 .3438 .6782 .1599 .3758 .3653 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6649 .3216 .4647 .5672 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6815 .3896 .5112 .0372 36 GLU 36 .6116 -2.3808 999.9900 .3501 .6899 -.1823 .6721 .5199 .5833 .0771 37 SER 37 -.0687 999.9900 -.0289 999.9900 .6705 .1910 .6755 .5256 .5881 .3548 38 LYS 38 -1.2247 -1.3520 999.9900 -.4035 .7460 -.5275 .6755 .1574 .3733 -.2578 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6574 -.2533 .1261 -.0458 40 LEU 40 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6831 .1436 .3684 -.3900 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6628 .1120 .3415 .1107 42 VAL 42 .1158 999.9900 .3968 999.9900 .7810 .4312 .6634 .1131 .3424 .4140 43 VAL 43 -.3818 999.9900 .6672 999.9900 .7810 .3555 .6583 .1198 .3442 .3689 44 ASP 44 -.2609 -.1954 999.9900 999.9900 .8104 .1180 .6752 .3742 .4996 .2807 45 PHE 45 -.2560 -.1035 999.9900 999.9900 .7573 .1326 .6792 .1042 .3438 .2363 46 THR 46 .2973 999.9900 -.8810 999.9900 .4476 -.0454 .6588 -.2541 .1263 .0537 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6604 .3249 .4647 .2976 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6704 .5272 .5868 .3701 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6782 .1841 .3900 -.5800 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6750 .3162 .4657 -.1552 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3674 .4738 .4265 -.0035 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5340 -.3647 .0097 -.1237 53 CYS 53 -.1941 -1.0630 999.9900 .2382 .9108 -.0270 .6812 .3071 .4630 .1467 54 ARG 54 .6041 .5490 999.9900 .6901 .8581 .6783 .6738 .5153 .5813 .6543 55 PHE 55 .1779 -.8310 999.9900 999.9900 .7573 .0347 .6779 .1168 .3506 .1798 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6527 .0396 .2951 -.6597 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4927 .3273 .3962 .4824 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5543 -.3614 .0201 -.1178 59 PHE 59 .4032 -1.6164 999.9900 999.9900 .7573 -.1519 .6717 .1107 .3444 .0653 60 PHE 60 .6259 .5389 999.9900 999.9900 .7573 .6407 .6763 .1010 .3407 .5399 61 ALA 61 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6613 .3310 .4686 .6815 62 ASP 62 1.1285 -1.5978 999.9900 999.9900 .8104 .1137 .6704 .3851 .5040 .2793 63 LEU 63 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6757 .1579 .3737 -.2701 64 ALA 64 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6634 .3152 .4603 .6371 65 LYS 65 .4938 -.2178 999.9900 -.4035 .7460 .0430 .6776 .1594 .3753 .1503 66 LYS 66 -.4760 -2.9005 999.9900 -.0397 .7460 -.5420 .6750 .1591 .3741 -.2680 67 LEU 67 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .4988 .1524 .2968 -.6256 68 PRO 68 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .5412 -.3721 .0085 .1173 69 ASN 69 .0970 -.8859 999.9900 999.9900 .7518 -.0124 .6758 .3751 .5004 .2027 70 VAL 70 .4158 999.9900 .9224 999.9900 .7810 .7064 .6580 .1146 .3410 .5784 71 LEU 71 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6826 .1472 .3703 -.3027 72 PHE 72 .1097 -2.3327 999.9900 999.9900 .7573 -.4886 .6731 .1041 .3412 -.1377 73 LEU 73 -.1655 -2.9612 999.9900 999.9900 .9565 -.7234 .6809 .1487 .3705 -.2681 74 LYS 74 -.3286 -2.4344 999.9900 -.4035 .7460 -.5648 .6791 .1507 .3709 -.2849 75 VAL 75 .3758 999.9900 .9747 999.9900 .7810 .7105 .6609 .1250 .3483 .5835 76 ASP 76 -.1512 -2.8653 999.9900 999.9900 .8104 -.7354 .6796 .3873 .5091 -.2278 77 THR 77 .1314 999.9900 .0483 999.9900 .4476 .2091 .6598 -.2680 .1186 .2038 78 ASP 78 .6201 -1.5978 999.9900 999.9900 .8104 -.0558 .6736 .3803 .5025 .1773 79 GLU 79 -2.5676 -1.3804 999.9900 -1.0323 .6899 -1.0726 .6734 .5177 .5826 -.5165 80 LEU 80 -2.3851 -3.3760 999.9900 999.9900 .9565 -1.6015 .6783 .1458 .3677 -.7961 81 LYS 81 1.2214 -1.5918 999.9900 -.4035 .7460 -.0863 .6820 .1548 .3745 .0579 82 SER 82 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6768 .5336 .5933 .4232 83 VAL 83 .9834 999.9900 .4980 999.9900 .7810 .7542 .6465 .1218 .3405 .6062 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6660 .3145 .4610 .6376 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6778 .5394 .5971 .4075 86 ASP 86 1.1285 -.3515 999.9900 999.9900 .8104 .5292 .6735 .3808 .5028 .5283 87 TRP 87 -1.3140 .9467 999.9900 999.9900 .9378 .1902 .6723 .1805 .3854 .2846 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6663 .3291 .4696 -.3319 89 ILE 89 -2.2875 -.2003 999.9900 999.9900 .6034 -.6281 .6607 .0451 .3016 -.2357 90 GLN 90 -1.2769 .4599 999.9900 1.3059 .5113 .2501 .6821 .5231 .5893 .3676 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6642 .3234 .4654 .1740 92 MET 92 -.6588 -2.0676 999.9900 2.2863 -1.9874 -.6069 .4869 .5241 .5086 -.2361 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5589 -.3639 .0206 .2661 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6519 -.2398 .1317 .0932 95 PHE 95 -.2255 .8160 999.9900 999.9900 .7573 .4493 .6704 .1072 .3418 .4251 96 MET 96 -.2651 .2906 999.9900 .9587 .5203 .3761 .6743 .5245 .5869 .4506 97 PHE 97 -.4973 -3.6820 999.9900 999.9900 .7573 -1.1407 .6736 .1009 .3395 -.5295 98 LEU 98 -1.1512 -2.9612 999.9900 999.9900 .9565 -1.0520 .6779 .1562 .3736 -.4644 99 LYS 99 -.6960 .4083 999.9900 .4411 .7460 .2681 .6795 .1500 .3706 .3100 100 GLU 100 -1.2742 -1.9198 999.9900 .3501 .6899 -.5385 .6759 .5202 .5851 -.1597 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5955 .4799 .5313 .7444 102 LYS 102 -.3350 -2.4344 999.9900 -.4035 .7460 -.5661 .6780 .1603 .3760 -.2846 103 ILE 103 -1.3252 -.2084 999.9900 999.9900 .6034 -.3100 .6537 .0452 .2987 -.0463 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6758 .1490 .3685 -.2718 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6773 .3823 .5052 -.3888 106 LYS 106 -1.5497 -1.9682 999.9900 -.4035 .7460 -.7158 .6803 .1519 .3721 -.3924 107 VAL 107 -.0463 999.9900 1.1539 999.9900 .7810 .6295 .6615 .1303 .3517 .5361 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6598 .1190 .3443 .0180 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5818 .4614 .5149 .3545 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6777 .3207 .4695 .0736 111 LYS 111 -.9887 -1.9682 999.9900 .4411 .7460 -.2657 .6757 .1609 .3754 -.0703 112 LYS 112 1.0838 -2.4344 999.9900 -.4035 .7460 -.2823 .6836 .1555 .3755 -.0818 113 ASP 113 1.0815 -2.1980 999.9900 999.9900 .8104 -.1021 .6746 .3831 .5046 .1503 114 GLU 114 .8604 -1.1891 999.9900 -1.0323 .6899 -.1678 .6734 .5157 .5814 .0863 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6730 .1589 .3731 -.1389 116 GLN 116 .1632 -.7562 999.9900 1.3059 .5113 .3060 .6790 .5280 .5909 .4052 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6747 .5330 .5921 .4078 118 THR 118 .7717 999.9900 .0483 999.9900 .4476 .4225 .6521 -.2614 .1192 .3317 119 ILE 119 .6852 .4983 999.9900 999.9900 .6034 .5956 .6580 .0359 .2951 .4962 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6700 .3207 .4662 .5682 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6796 .1554 .3738 -.1548 122 HIS 122 .2028 .6357 999.9900 999.9900 .6686 .5024 .6738 .3208 .4679 .5003 123 LEU 123 -1.4828 -2.9612 999.9900 999.9900 .9565 -1.1625 .6767 .1580 .3741 -.5305 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6669 .2466 .4267 .4567 Means: -.3024 -1.7119 -.1716 .1545 .7026 -.2061 .6590 .2399 .4151 .0479 2.00 analyzed_18