1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6700 .5071 .5812 .0216 2 THR 2 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .6622 -.2656 .1210 .0411 3 GLU 3 -1.3222 -2.3808 999.9900 .3501 .6899 -.6657 .6749 .5158 .5821 -.2454 4 VAL 4 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .6577 .1241 .3464 -.0458 5 TYR 5 .5758 -1.5559 999.9900 999.9900 .5630 -.1391 .6798 -.1792 .1787 .0167 6 ASP 6 -.1788 -3.7306 999.9900 999.9900 .8104 -1.0330 .6784 .3850 .5072 -.4071 7 LEU 7 -.7230 -3.3760 999.9900 999.9900 .9565 -1.0475 .6745 .1494 .3682 -.4637 8 GLU 8 -.4615 -1.7714 999.9900 -1.0323 .6899 -.6438 .6757 .5254 .5880 -.2290 9 ILE 9 -.6670 .4983 999.9900 999.9900 .6034 .1449 .6597 .0459 .3017 .2281 10 THR 10 .2973 999.9900 -.8810 999.9900 .4476 -.0454 .6619 -.2674 .1198 .0517 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6557 -.2632 .1197 -.1699 12 ASN 12 -.8722 -2.0766 999.9900 999.9900 .7518 -.7323 .6765 .3814 .5044 -.2278 13 ALA 13 -.2135 999.9900 999.9900 999.9900 .7458 .2661 .6649 .3351 .4725 .3831 14 THR 14 .2564 999.9900 -.8810 999.9900 .4476 -.0590 .6564 -.2656 .1186 .0428 15 ASP 15 -1.5723 -1.0518 999.9900 999.9900 .8104 -.6046 .6732 .3842 .5046 -.1513 16 PHE 16 -.8715 -2.6964 999.9900 999.9900 .7573 -.9369 .4821 .0961 .2569 -.4465 17 PRO 17 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5443 -.3382 .0295 .2575 18 MET 18 -.6343 -.6706 999.9900 1.7963 .5203 .2529 .6834 .5175 .5866 .3688 19 GLU 19 -.4269 -1.6501 999.9900 -1.0323 .6899 -.6049 .6768 .5190 .5847 -.2039 20 LYS 20 -.2978 -2.9005 999.9900 -.0770 .7460 -.5213 .6800 .1476 .3694 -.2541 21 LYS 21 -.2512 -1.6955 999.9900 -.4035 .7460 -.4015 .6745 .1451 .3657 -.1697 22 TYR 22 .0594 -1.1415 999.9900 999.9900 .5630 -.1731 .4919 -.1814 .0991 -.0418 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5427 -.3752 .0072 .1573 24 ALA 24 -.6970 999.9900 999.9900 999.9900 .7458 .0244 .6699 .3252 .4688 .2610 25 GLY 25 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5790 .4656 .5160 .0887 26 MET 26 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6783 .5183 .5850 -.3511 27 SER 27 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6735 .5285 .5889 .1618 28 LEU 28 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6809 .1641 .3794 -.2150 29 ASN 29 1.1272 -.6268 999.9900 999.9900 .7518 .4174 .6800 .3954 .5140 .4655 30 ASP 30 1.3227 -.9768 999.9900 999.9900 .8104 .3855 .6739 .3841 .5049 .4429 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .9565 -.3378 .6737 .1534 .3702 -.0373 32 LYS 32 1.0429 -.5697 999.9900 .2868 .7460 .3586 .6709 .1572 .3712 .3744 33 LYS 33 1.0838 -1.9682 999.9900 -.4035 .7460 -.1891 .6726 .1579 .3723 -.0164 34 LYS 34 1.2214 -1.9682 999.9900 -.4035 .7460 -.1616 .6822 .1626 .3791 .0053 35 LEU 35 .8442 -1.3818 999.9900 999.9900 .9565 .1396 .6739 .1577 .3728 .2501 36 GLU 36 .6116 -1.2470 999.9900 1.1588 .6899 .3033 .6810 .5242 .5895 .4031 37 LEU 37 1.1349 -2.5464 999.9900 999.9900 .9565 -.1517 .6762 .1647 .3778 .0772 38 VAL 38 .3707 999.9900 .2799 999.9900 .7810 .4772 .6616 .1219 .3468 .4430 39 VAL 39 -.6856 999.9900 -.2457 999.9900 .7810 -.0501 .6551 .1247 .3457 .1259 40 GLY 40 -.5849 999.9900 999.9900 999.9900 .7883 .1017 .5799 .4815 .5252 .3162 41 THR 41 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6564 -.2524 .1263 -.6591 42 THR 42 .3531 999.9900 .7650 999.9900 .4476 .5219 .6620 -.2676 .1197 .3920 43 VAL 43 .5660 999.9900 .5873 999.9900 .7810 .6448 .6641 .1235 .3488 .5444 44 ASP 44 .0055 -2.3194 999.9900 999.9900 .8104 -.5012 .6741 .3820 .5037 -.0895 45 SER 45 -1.8383 999.9900 -.7153 999.9900 .6705 -.6277 .6746 .5370 .5943 -.1343 46 MET 46 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6770 .5124 .5810 -.0334 47 ARG 47 -.7228 -1.1343 999.9900 .1593 .8581 -.1361 .6764 .5110 .5799 .0724 48 ILE 48 -.4035 -.2679 999.9900 999.9900 .6034 -.0227 .6582 .0549 .3063 .1290 49 GLN 49 -.2750 -2.6982 999.9900 1.3059 .5113 -.2890 .6780 .5242 .5883 .0077 50 LEU 50 -.4786 -1.4036 999.9900 999.9900 .9565 -.3086 .6754 .1588 .3740 -.0183 51 PHE 51 .0058 -.6308 999.9900 999.9900 .7573 .0441 .6794 .0995 .3411 .1822 52 ASP 52 -2.3854 -1.5978 999.9900 999.9900 .8104 -1.0576 .6747 .3714 .4977 -.4253 53 GLY 53 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5868 .4653 .5193 -.4115 54 ASP 54 -3.3417 -1.4992 999.9900 999.9900 .8104 -1.3435 .6845 .3903 .5129 -.5911 55 ASP 55 -3.3417 -2.6388 999.9900 999.9900 .8104 -1.7234 .6821 .3964 .5155 -.8183 56 GLN 56 -3.1236 .0854 999.9900 1.3059 .5113 -.3053 .6763 .5251 .5881 -.0033 57 LEU 57 -.3299 -1.0593 999.9900 999.9900 .9565 -.1442 .6767 .1549 .3723 .0798 58 LYS 58 -1.4779 -2.9005 999.9900 .4411 .7460 -.5500 .6806 .1622 .3782 -.2725 59 GLY 59 -.5417 999.9900 999.9900 999.9900 .7883 .1233 .5787 .4641 .5150 .3223 60 GLU 60 -.5239 -1.7714 999.9900 .3501 .6899 -.3138 .6768 .5226 .5868 -.0093 61 LEU 61 -3.7702 -.4539 999.9900 999.9900 .9565 -1.0892 .6752 .1544 .3714 -.4876 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6621 -.2618 .1231 -.8479 63 ASP 63 -2.8635 -1.6521 999.9900 999.9900 .8104 -1.2351 .6758 .3841 .5056 -.5291 64 GLY 64 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5868 .4774 .5260 .6323 65 ALA 65 -.1097 999.9900 999.9900 999.9900 .7458 .3180 .6678 .3201 .4650 .4060 66 LYS 66 -3.5196 -.4905 999.9900 -.4035 .7460 -.8142 .6812 .1594 .3768 -.4615 67 SER 67 -.6802 999.9900 -.7153 999.9900 .6705 -.2417 .6752 .5370 .5946 .0974 68 LEU 68 -.5228 -3.3760 999.9900 999.9900 .9565 -.9808 .6703 .1603 .3728 -.4223 69 LYS 69 .8536 -.1358 999.9900 -.0397 .7460 .2769 .6803 .1577 .3754 .3175 70 ASP 70 .9343 -1.1646 999.9900 999.9900 .8104 .1934 .6739 .3831 .5043 .3274 71 LEU 71 -.5757 -.7315 999.9900 999.9900 .9565 -.1169 .6782 .1627 .3775 .0980 72 GLY 72 .8124 999.9900 999.9900 999.9900 .7883 .8003 .5931 .4823 .5315 .6690 73 VAL 73 -4.3409 999.9900 .6672 999.9900 .7810 -.9642 .6536 .1245 .3449 -.4229 74 ARG 74 -2.9267 .0684 999.9900 .1593 .8581 -.3363 .6775 .5236 .5877 -.0686 75 ASP 75 -.5648 -3.7306 999.9900 999.9900 .8104 -1.1617 .6741 .3824 .5039 -.4857 76 GLY 76 .6821 999.9900 999.9900 999.9900 .7883 .7352 .5778 .4700 .5179 .6296 77 TYR 77 -.2520 -2.7782 999.9900 999.9900 .5630 -.8224 .6819 -.1738 .1827 -.3918 78 ARG 78 -.2265 -.0419 999.9900 1.0005 .8581 .5182 .6753 .5168 .5828 .5404 79 ILE 79 .2593 -.2084 999.9900 999.9900 .6034 .2181 .6532 .0448 .2983 .2705 80 HIS 80 -.2420 -.1773 999.9900 999.9900 .6686 .0831 .6836 .3218 .4726 .2509 81 ALA 81 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6582 .3230 .4627 .2067 82 VAL 82 -1.9553 999.9900 -1.0788 999.9900 .7810 -.7510 .6597 .1360 .3542 -.2915 83 ASP 83 -.3819 -3.7306 999.9900 999.9900 .8104 -1.1007 .6811 .3899 .5112 -.4462 84 VAL 84 .3707 999.9900 -.0276 999.9900 .7810 .3747 .6530 .1190 .3415 .3792 85 THR 85 -.6745 999.9900 -.8810 999.9900 .4476 -.3693 .6587 -.2454 .1313 -.1389 86 GLY 86 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5727 .4640 .5123 .3852 87 GLY 87 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5728 .4697 .5155 -.0283 88 ASN 88 -.3935 .3477 999.9900 999.9900 .7518 .2354 .6753 .3875 .5074 .3538 89 GLU 89 -3.2255 -.8834 999.9900 -1.0323 .6899 -1.1128 .6800 .5249 .5896 -.5411 90 ASP 90 999.9900 -2.6388 999.9900 999.9900 999.9900 -2.6388 .6776 .3616 .4970 -.5332 Means: -.6690 -1.6330 -.4691 .1964 .7218 -.3129 .6574 .2335 .4113 -.0187 2.00 analyzed_9