1 GLU 1 999.9900 -.5796 999.9900 -1.0323 .6899 -.3074 .6757 .5049 .5825 .0517 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6720 .3242 .4691 -.4307 3 GLU 3 -2.8104 -1.5476 999.9900 -1.0323 .6899 -1.1751 .6759 .5209 .5855 -.5839 4 VAL 4 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6577 .1307 .3503 -.7700 5 HIS 5 -3.0884 -.5551 999.9900 999.9900 .6686 -.9916 .6781 .3308 .4755 -.3932 6 ASN 6 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6743 .3848 .5054 -.7397 7 GLN 7 -1.6601 -1.9601 999.9900 1.3059 .5113 -.4507 .6833 .5220 .5892 -.0996 8 LEU 8 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6786 .1612 .3768 -.1348 9 GLU 9 -.4857 -2.8418 999.9900 -1.0323 .6899 -.9175 .6781 .5293 .5913 -.4104 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6578 .0427 .2990 .3283 11 LYS 11 -.1715 -.8858 999.9900 -.4035 .7460 -.2237 .6811 .1653 .3802 -.0388 12 PHE 12 .0490 .8190 999.9900 999.9900 .7573 .5418 .6815 .0974 .3408 .4808 13 ARG 13 -.4343 -2.3766 999.9900 .7862 .8581 -.0761 .6763 .5220 .5863 .1168 14 LEU 14 -.6961 -2.1315 999.9900 999.9900 .9565 -.6237 .6783 .1653 .3791 -.2055 15 THR 15 .3736 999.9900 -.8810 999.9900 .4476 -.0200 .6535 -.2444 .1298 .0699 16 ASP 16 -.2770 -2.0928 999.9900 999.9900 .8104 -.5198 .6807 .3886 .5103 -.0980 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5800 .4744 .5214 .7185 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6786 .5342 .5944 .2918 19 ASP 19 -1.5723 -2.4630 999.9900 999.9900 .8104 -1.0750 .6767 .3897 .5093 -.4317 20 ILE 20 -.4035 .8778 999.9900 999.9900 .6034 .3592 .6560 .0456 .2999 .3559 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3530 .4688 .4174 .0203 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5364 -.3661 .0099 .2486 23 LYS 23 -.2799 -2.1617 999.9900 .3240 .7460 -.2095 .6787 .1651 .3791 -.0291 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6681 .3140 .4615 .2372 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .5008 .0966 .2650 .1868 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5405 -.3831 .0018 .2567 27 ASP 27 .2994 -1.0518 999.9900 999.9900 .8104 .0193 .6703 .3734 .4971 .2203 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6635 .3240 .4654 .2912 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6516 -.2532 .1238 -.0517 30 THR 30 -.2075 999.9900 .4804 999.9900 .4476 .2401 .6619 -.2417 .1348 .2281 31 VAL 31 -1.6906 999.9900 -.5532 999.9900 .8960 -.4493 .6612 .1229 .3472 -.1127 32 SER 32 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6759 .5335 .5928 .4511 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6628 .3188 .4621 .5228 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6814 .1476 .3700 -.1424 35 LYS 35 .8536 -2.4344 999.9900 .5368 .7460 .0478 .6775 .1527 .3713 .1527 36 GLU 36 .8733 -1.5476 999.9900 .3501 .6899 .0914 .6738 .5204 .5843 .2600 37 THR 37 1.1372 999.9900 -.8810 999.9900 .4476 .2346 .6562 -.2578 .1230 .2204 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6594 .1154 .3421 .3047 39 ILE 39 1.0115 .6122 999.9900 999.9900 .6034 .7424 .6561 .0536 .3046 .5873 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6774 .5309 .5919 .4057 41 GLU 41 .0765 -1.3804 999.9900 -1.0323 .6899 -.4116 .6785 .5225 .5875 -.0742 42 TRP 42 -.0620 -1.3095 999.9900 999.9900 .9378 -.1446 .4909 .1901 .3154 .0494 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5573 -.3479 .0293 -.4143 44 ARG 44 .2784 .7317 999.9900 .1593 .8581 .4374 .6783 .5233 .5879 .4841 45 GLU 45 -.1289 -1.3104 999.9900 -1.0323 .6899 -.4454 .6787 .5155 .5835 -.0979 46 LYS 46 -3.5196 -1.4228 999.9900 .8769 .7460 -.4885 .6808 .1583 .3760 -.2291 47 GLU 47 -1.2516 -.9977 999.9900 -1.0323 .6899 -.6479 .6756 .5227 .5864 -.2323 48 ASN 48 -.2782 .3167 999.9900 999.9900 .7518 .2634 .6798 .3790 .5043 .3698 49 GLY 49 -.5142 999.9900 999.9900 999.9900 .7883 .1370 .3326 .4681 .4079 .2687 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5442 -.3805 .0048 -.1382 51 LYS 51 -3.5196 -2.4344 999.9900 -.4035 .7460 -1.2030 .6805 .1549 .3739 -.7399 52 THR 52 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6565 -.2549 .1249 -.0893 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6642 .1211 .3474 .1357 54 LYS 54 .0195 -1.5918 999.9900 .2495 .7460 -.0654 .6731 .1565 .3718 .0718 55 GLU 55 -1.4945 1.0212 999.9900 .3501 .6899 .1417 .6794 .5219 .5875 .2947 56 VAL 56 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6608 .1130 .3413 .1575 57 LYS 57 -.2512 -1.3520 999.9900 -.4035 .7460 -.3328 .6803 .1545 .3736 -.1185 58 LEU 58 -.0792 -3.3760 999.9900 999.9900 .9565 -.8329 .6833 .1603 .3782 -.3310 59 ILE 59 -.2113 .9074 999.9900 999.9900 .6034 .4332 .6544 .0466 .2998 .4001 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6774 .5294 .5911 -.0003 61 ALA 61 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6692 .3060 .4573 -.0312 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5768 .4675 .5161 .4146 63 LYS 63 -.3099 -2.9005 999.9900 -.4035 .7460 -.6543 .6786 .1527 .3718 -.3486 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6573 .1190 .3433 .0060 65 LEU 65 -.2022 -2.3037 999.9900 999.9900 .9565 -.5165 .6777 .1491 .3693 -.1445 66 GLU 66 -1.4621 -1.1891 999.9900 -1.0323 .6899 -.7484 .6771 .5264 .5892 -.2983 67 ASN 67 .1528 -1.2512 999.9900 999.9900 .7518 -.1155 .6768 .3790 .5031 .1419 68 SER 68 .4533 999.9900 .3727 999.9900 .6705 .4988 .6698 .5300 .5883 .5393 69 LYS 69 -.8010 -1.5020 999.9900 .1140 .7460 -.2658 .6780 .1482 .3690 -.0718 70 THR 70 -.6884 999.9900 -.2947 999.9900 .4476 -.1785 .6615 -.2631 .1221 -.0274 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6605 .1236 .3473 .3065 72 LYS 72 .9480 .3782 999.9900 -.4035 .7460 .2530 .6814 .1649 .3801 .3017 73 ASP 73 .8349 -3.1847 999.9900 999.9900 .8104 -.5131 .6770 .3873 .5080 -.0950 74 TYR 74 -1.2400 -.6325 999.9900 999.9900 .5630 -.4365 .6762 -.1620 .1873 -.1591 75 ARG 75 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .6753 .5223 .5861 -.4184 76 SER 76 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .4829 .5299 .5103 .1903 77 PRO 77 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5389 -.3503 .0202 -1.1221 78 VAL 78 -2.0685 999.9900 -.0276 999.9900 .7810 -.4383 .6549 .1297 .3485 -.1061 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6808 .5354 .5960 -.5177 80 ASN 80 -1.8173 -2.7010 999.9900 999.9900 .7518 -1.2555 .6810 .3787 .5046 -.5414 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6846 .1494 .3724 -.9882 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6664 .3201 .4644 -.4331 83 GLY 83 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5827 .4763 .5236 -.0775 84 ALA 84 -.4016 999.9900 999.9900 999.9900 .7458 .1721 .6678 .3255 .4681 .3344 85 VAL 85 -.7345 999.9900 .9224 999.9900 .7810 .3230 .6542 .1119 .3379 .3470 86 THR 86 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6562 -.2653 .1187 .0932 87 THR 87 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6563 -.2509 .1271 .0331 88 MET 88 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6831 .5233 .5899 -.0213 89 HIS 89 -.2420 -1.0384 999.9900 999.9900 .6686 -.2039 .6729 .3262 .4706 .0775 90 VAL 90 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6644 .1243 .3493 .1145 91 ILE 91 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6504 .0344 .2910 -.2482 92 ILE 92 -.1621 -1.4972 999.9900 999.9900 .6034 -.3520 .6611 .0451 .3018 -.0700 93 GLN 93 -1.6601 -2.6982 999.9900 1.3059 .5113 -.6353 .6767 .5122 .5807 -.2254 94 ALA 94 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .4835 .3152 .3853 .1777 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5535 -.3781 .0101 .0821 96 VAL 96 -2.3041 999.9900 .6672 999.9900 .7810 -.2853 .6547 .1367 .3525 -.0129 97 THR 97 -3.6133 999.9900 -.2947 999.9900 .4476 -1.1535 .6546 -.2492 .1274 -.6110 98 GLU 98 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6775 .5137 .5819 -.6711 99 LYS 99 -3.5196 -.0243 999.9900 -.4035 .7460 -.7210 .6827 .1546 .3747 -.3954 100 GLU 100 -2.3953 -1.4588 999.9900 -1.0323 .6899 -1.0491 .6742 .5196 .5840 -.5004 101 LYS 101 999.9900 .6318 999.9900 .3240 999.9900 .4266 .6791 -.0240 .2773 .3870 Means: -.8121 -1.3804 -.5873 -.0637 .6991 -.3233 .6486 .2065 .3913 -.0352 2.00 analyzed_10