1 ASP 1 999.9900 -3.7306 999.9900 999.9900 .8104 -1.4601 .4791 .3431 .4049 -.5245 2 PRO 2 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5409 -.3741 .0071 .0799 3 ASN 3 .1528 -1.4522 999.9900 999.9900 .7518 -.1825 .6733 .3850 .5051 .1021 4 ALA 4 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6651 .3181 .4627 -.3349 5 GLU 5 -2.5676 -1.4588 999.9900 -1.0323 .6899 -1.0922 .6720 .5166 .5814 -.5300 6 PHE 6 -3.6149 -.5318 999.9900 999.9900 .7573 -1.1298 .6801 .1124 .3489 -.5194 7 ASP 7 -3.3417 -2.1980 999.9900 999.9900 .8104 -1.5764 .4863 .3903 .4303 -.7705 8 PRO 8 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5396 -.3539 .0184 -.4203 9 ASP 9 -.8696 -.9768 999.9900 999.9900 .8104 -.3453 .6821 .3888 .5110 .0070 10 LEU 10 -.4416 -1.3608 999.9900 999.9900 .9565 -.2820 .4870 .1621 .2975 -.0394 11 PRO 11 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5481 -.3748 .0098 .2027 12 GLY 12 -1.7079 999.9900 999.9900 999.9900 .7883 -.4598 .5782 .4693 .5177 .0320 13 GLY 13 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5839 .4692 .5202 -.0257 14 GLY 14 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5889 .4735 .5248 .2555 15 LEU 15 -1.8089 -.6635 999.9900 999.9900 .9565 -.5053 .6785 .1500 .3702 -.1375 16 HIS 16 -.8643 -1.5062 999.9900 999.9900 .6686 -.5673 .6719 .3191 .4661 -.1422 17 ARG 17 -.5052 -2.8571 999.9900 .1593 .8581 -.4371 .6737 .5198 .5839 -.1417 18 CYS 18 .0411 999.9900 .1296 999.9900 .9108 .3605 .6738 .3045 .4584 .4120 19 LEU 19 .8442 -2.5464 999.9900 999.9900 .9565 -.2485 .6755 .1593 .3744 .0178 20 ALA 20 .0579 999.9900 999.9900 999.9900 .7458 .4018 .6735 .3277 .4718 .4512 21 CYS 21 -.6995 999.9900 .1296 999.9900 .9108 .1136 .6714 .3008 .4552 .2626 22 ALA 22 -2.1491 999.9900 999.9900 999.9900 .7458 -.7016 .6647 .3184 .4627 -.1050 23 ARG 23 -.7228 -1.1946 999.9900 .1593 .8581 -.1481 .6767 .5179 .5841 .0649 24 TYR 24 -.9465 -.3337 999.9900 999.9900 .5630 -.2391 .6785 -.1794 .1781 -.0436 25 PHE 25 -.7849 -.1548 999.9900 999.9900 .7573 -.0608 .6759 .1169 .3498 .1221 26 ILE 26 -1.3252 -1.5793 999.9900 999.9900 .6034 -.7670 .6552 .0479 .3009 -.3196 27 ASP 27 -.5288 -1.3712 999.9900 999.9900 .8104 -.3632 .6704 .3749 .4980 -.0089 28 SER 28 .2739 999.9900 -.7153 999.9900 .6705 .0763 .6715 .5254 .5863 .2852 29 THR 29 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6640 -.2473 .1324 .1656 30 ASN 30 .6990 -2.0766 999.9900 999.9900 .7518 -.2086 .6790 .3892 .5100 .0885 31 LEU 31 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6771 .1626 .3770 -.2689 32 LYS 32 .7090 -1.6955 999.9900 -.4035 .7460 -.2095 .6767 .1413 .3644 -.0328 33 THR 33 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6496 -.2469 .1266 .1482 34 HIS 34 .9933 -2.4183 999.9900 999.9900 .6686 -.2521 .6719 .3104 .4610 .0452 35 PHE 35 .0766 -.8889 999.9900 999.9900 .7573 -.0183 .6725 .1082 .3433 .1451 36 ARG 36 -.7545 -2.3766 999.9900 1.0005 .8581 -.0544 .6811 .5252 .5901 .1335 37 SER 37 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6770 .5357 .5946 -.5184 38 LYS 38 .7090 -2.9005 999.9900 -.0397 .7460 -.3050 .6766 .1419 .3647 -.1009 39 ASP 39 .9343 -3.7306 999.9900 999.9900 .8104 -.6620 .6796 .3805 .5051 -.1852 40 HIS 40 .6603 .8055 999.9900 999.9900 .6686 .7115 .6747 .3265 .4716 .6271 41 LYS 41 .7090 1.0637 999.9900 -.4035 .7460 .3423 .6753 .1584 .3738 .3636 42 LYS 42 .8536 -1.0359 999.9900 -.4035 .7460 -.0487 .6791 .1664 .3800 .0860 43 ARG 43 .3315 -2.0954 999.9900 .1593 .8581 -.1174 .6748 .5264 .5882 .0877 44 LEU 44 .6296 -2.9612 999.9900 999.9900 .9565 -.4584 .6758 .1438 .3655 -.1111 45 LYS 45 .9451 -1.8181 999.9900 -.4035 .8827 -.1595 .6750 .1624 .3760 .0057 46 GLN 46 1.0381 -2.2325 999.9900 1.3059 .5113 .1557 .6734 .5168 .5820 .3022 47 LEU 47 .4996 -2.7185 999.9900 999.9900 .9565 -.4208 .6777 .1605 .3760 -.0848 48 SER 48 -.4865 999.9900 -.0289 999.9900 .6705 .0517 .6760 .5300 .5908 .2722 49 VAL 49 -1.8264 999.9900 .3968 999.9900 .7810 -.2162 .6593 .1162 .3425 .0254 50 GLU 50 -1.2088 -1.7714 999.9900 -1.0323 .6899 -.8307 .4889 .5150 .5041 -.3865 51 PRO 51 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5445 -.3737 .0089 -.1364 52 TYR 52 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6737 -.1940 .1676 -1.3709 53 SER 53 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6753 .5216 .5856 -.5215 54 GLN 54 -3.1236 -1.9601 999.9900 1.3059 .5113 -.8166 .6760 .5158 .5825 -.3458 55 GLU 55 -2.0601 -2.1111 999.9900 -1.0323 .6899 -1.1284 .6784 .5279 .5906 -.5512 56 GLU 56 -2.8104 -1.5476 999.9900 -1.0323 .6899 -1.1751 .6820 .5262 .5911 -.5820 57 ALA 57 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6615 .3210 .4629 -.1561 58 GLU 58 -2.8104 -.3719 999.9900 -1.0323 .6899 -.8812 .6762 .5195 .5848 -.3882 59 ARG 59 -2.5097 -1.0788 999.9900 .6901 .8581 -.2701 .6746 .5082 .5776 -.0239 60 ALA 60 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6603 .3200 .4618 -.2366 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6630 .3217 .4639 -.4335 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5825 .4705 .5203 -.4113 63 MET 63 -.6588 -2.5481 999.9900 .9587 .5203 -.4320 .6700 .5038 .5731 -.0924 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5824 .4787 .5248 -.4092 65 SER 65 -2.4175 999.9900 1.2119 999.9900 .6705 -.1784 .6809 .5271 .5912 .1346 66 TYR 66 -.3370 -.3789 999.9900 999.9900 .5630 -.0510 .6766 -.1783 .1779 .0691 67 VAL 67 999.9900 999.9900 .9747 999.9900 999.9900 .9747 .6502 -.0970 .2232 .5093 Means: -1.0306 -1.7155 -.0995 -.0201 .7285 -.4308 .6481 .2583 .4216 -.0872 2.00 analyzed_3