1 MET 1 999.9900 .8529 999.9900 .9587 .5203 .7773 .6739 .5104 .5847 .7032 2 GLY 2 -1.3427 999.9900 999.9900 999.9900 .7883 -.2772 .5692 .4582 .5075 .1183 3 HIS 3 -3.0884 .6586 999.9900 999.9900 .6686 -.5871 .6750 .3179 .4667 -.1537 4 HIS 4 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6726 .3221 .4681 -.7928 5 HIS 5 -.3517 -3.1083 999.9900 999.9900 .6686 -.9305 .6784 .3290 .4746 -.3568 6 HIS 6 .0561 -3.1083 999.9900 999.9900 .6686 -.7945 .6773 .3134 .4650 -.2786 7 HIS 7 -3.0884 -1.1713 999.9900 999.9900 .6686 -1.1970 .6767 .3233 .4706 -.5182 8 HIS 8 -1.9498 -.9211 999.9900 999.9900 .6686 -.7341 .6745 .3217 .4687 -.2412 9 LEU 9 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .6796 .1513 .3714 -.9058 10 GLU 10 -.4497 -1.5476 999.9900 1.1588 .6899 -.0372 .6765 .5202 .5853 .1747 11 MET 11 -.2922 -1.1064 999.9900 .9587 .5203 .0201 .6793 .5240 .5887 .2139 12 ALA 12 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6660 .3177 .4628 -.3348 13 SER 13 -.2118 999.9900 .8786 999.9900 .6705 .4458 .6802 .5364 .5963 .5108 14 GLU 14 -1.1136 -2.8418 999.9900 -1.0323 .6899 -1.0745 .6794 .5148 .5834 -.5173 15 GLU 15 -2.3953 -.4584 999.9900 .3501 .6899 -.4534 .6821 .5313 .5941 -.1000 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5825 .4674 .5185 .7174 17 GLN 17 -.9041 -2.6982 999.9900 1.3059 .5113 -.4463 .6819 .5190 .5869 -.0974 18 VAL 18 .2313 999.9900 .7395 999.9900 .7810 .5840 .6528 .1127 .3378 .5035 19 ILE 19 -.9523 -1.4972 999.9900 999.9900 .6034 -.6154 .6601 .0445 .3010 -.2283 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6683 .3295 .4706 .2462 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6765 .3093 .4623 .3009 22 HIS 22 -1.1973 1.1207 999.9900 999.9900 .6686 .1974 .6845 .3295 .4774 .3212 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6600 -.2736 .1154 -.1211 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6569 .1156 .3411 .2402 25 GLU 25 .8604 -1.7714 999.9900 -1.0323 .6899 -.3134 .6778 .5218 .5868 -.0090 26 THR 26 .9379 999.9900 .6346 999.9900 .4476 .6734 .6547 -.2708 .1148 .4808 27 TRP 27 .3500 -1.3095 999.9900 999.9900 .9378 -.0073 .6829 .1908 .3958 .1704 28 ASN 28 1.0488 -.9481 999.9900 999.9900 .7518 .2842 .6753 .3794 .5027 .3815 29 GLU 29 .8604 -.7564 999.9900 1.1588 .6899 .4882 .6764 .5218 .5862 .5251 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6778 .5190 .5852 .1755 31 LEU 31 .8182 -2.5464 999.9900 999.9900 .9565 -.2572 .6755 .1731 .3824 .0154 32 GLN 32 .7451 -1.9601 999.9900 1.3059 .5113 .1506 .6800 .5318 .5935 .3023 33 LYS 33 .8536 -1.9682 999.9900 -.4035 .7460 -.2351 .6748 .1571 .3728 -.0491 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6742 .3246 .4703 .5703 35 ASN 35 -.1896 -1.8756 999.9900 999.9900 .7518 -.4378 .6771 .3788 .5031 -.0515 36 GLU 36 .1449 -1.6501 999.9900 1.1588 .6899 .0859 .6772 .5147 .5824 .2559 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6785 .5312 .5926 .1601 38 LYS 38 -1.2247 -1.1755 999.9900 .4411 .7460 -.1544 .6731 .1438 .3644 .0064 39 THR 39 .2086 999.9900 -.8810 999.9900 .4476 -.0750 .6556 -.2452 .1301 .0371 40 LEU 40 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6786 .1578 .3748 -.3602 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6545 .1321 .3498 .1131 42 VAL 42 .3894 999.9900 .9224 999.9900 .7810 .6976 .6530 .1208 .3425 .5733 43 VAL 43 .2313 999.9900 .9747 999.9900 .7810 .6623 .6604 .1298 .3509 .5554 44 ASP 44 -.6569 -.3302 999.9900 999.9900 .8104 -.0589 .6778 .3746 .5010 .1751 45 PHE 45 -.2560 .3498 999.9900 999.9900 .7573 .2837 .6789 .1019 .3423 .3264 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6579 -.2497 .1285 -.0186 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6628 .3128 .4586 .2952 48 SER 48 .6980 999.9900 .6576 999.9900 .6705 .6754 .6847 .5342 .5969 .6490 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6719 .1822 .3862 -.2382 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6738 .3091 .4610 -.1565 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3454 .4809 .4207 -.0072 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5444 -.3899 -.0006 -.1274 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6823 .3210 .4715 .2486 54 ARG 54 .6041 -.9348 999.9900 .6901 .8581 .3815 .6735 .5183 .5830 .4428 55 PHE 55 .1779 -.8691 999.9900 999.9900 .7573 .0220 .6701 .1050 .3405 .1682 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6605 .0324 .2941 -.6596 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4866 .3168 .3875 .4782 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5530 -.3605 .0201 -.1179 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6729 .0953 .3359 .1919 60 PHE 60 .6090 -1.0405 999.9900 999.9900 .7573 .1086 .6782 .0936 .3372 .2195 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6708 .3223 .4675 .5256 62 ASP 62 1.0149 -1.6521 999.9900 999.9900 .8104 .0577 .6761 .3782 .5023 .2455 63 LEU 63 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6843 .1571 .3768 -.1327 64 ALA 64 .0470 999.9900 999.9900 999.9900 .7458 .3964 .6609 .3182 .4610 .4430 65 LYS 65 .1686 -.9566 999.9900 .1140 .7460 .0372 .6807 .1526 .3726 .1456 66 LYS 66 .0419 -2.4344 999.9900 -.4035 .7460 -.4907 .6767 .1522 .3707 -.2321 67 LEU 67 -1.7747 -2.9612 999.9900 999.9900 .9565 -1.2598 .5009 .1599 .3020 -.6237 68 PRO 68 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5288 -.3818 -.0024 -.1293 69 ASN 69 -1.0675 -2.0766 999.9900 999.9900 .7518 -.7974 .6701 .3726 .4965 -.2699 70 VAL 70 -.3682 999.9900 .8055 999.9900 .7810 .4061 .6527 .1274 .3463 .3997 71 LEU 71 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6723 .1515 .3685 -.2515 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6778 .1086 .3458 -.1810 73 LEU 73 -.5127 -3.3760 999.9900 999.9900 .9565 -.9774 .6724 .1647 .3763 -.4190 74 LYS 74 -.1867 -1.8181 999.9900 -.4035 .7460 -.4132 .6733 .1511 .3687 -.1774 75 VAL 75 .1158 999.9900 .5873 999.9900 .7810 .4947 .6525 .1155 .3393 .4504 76 ASP 76 -.3017 -1.9171 999.9900 999.9900 .8104 -.4695 .6741 .3760 .5002 -.0717 77 THR 77 -.3004 999.9900 -.8810 999.9900 .4476 -.2446 .6570 -.2392 .1342 -.0632 78 ASP 78 .2994 -3.7306 999.9900 999.9900 .8104 -.8736 .6723 .3818 .5028 -.3133 79 GLU 79 -2.3953 -2.3808 999.9900 .3501 .6899 -.9340 .6768 .5260 .5888 -.4222 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6748 .1542 .3711 -.8334 81 LYS 81 .6780 -2.4344 999.9900 .2495 .7460 -.1023 .6782 .1410 .3648 .0440 82 SER 82 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6810 .5389 .5981 .4102 83 VAL 83 .9834 999.9900 .3968 999.9900 .7810 .7204 .6561 .1249 .3463 .5884 84 ALA 84 .5799 999.9900 999.9900 999.9900 .7458 .6629 .6673 .3268 .4687 .5800 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6802 .5310 .5932 .4063 86 ASP 86 1.3227 -.5463 999.9900 999.9900 .8104 .5289 .6722 .3801 .5018 .5278 87 TRP 87 -.7409 -.0877 999.9900 999.9900 .9378 .0364 .6762 .1942 .3950 .1959 88 ALA 88 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6652 .3216 .4648 -.0283 89 ILE 89 -1.5964 -.4959 999.9900 999.9900 .6034 -.4963 .6639 .0399 .2999 -.1570 90 GLN 90 -1.0351 -1.7668 999.9900 2.7911 .5113 .1251 .6758 .5192 .5844 .2826 91 ALA 91 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6684 .3236 .4672 .2384 92 MET 92 -.6588 -.9517 999.9900 2.2863 -1.9874 -.3279 .4896 .5104 .5017 -.0519 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5464 -.3824 .0046 .2583 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6558 -.2647 .1188 .0890 95 PHE 95 -.2986 -.3840 999.9900 999.9900 .7573 .0249 .6773 .1098 .3462 .1724 96 MET 96 -.2651 .5321 999.9900 .9587 .5203 .4365 .6764 .5190 .5846 .4902 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6818 .1021 .3436 -.6123 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6763 .1546 .3720 -.5480 99 LYS 99 -.4529 -.2831 999.9900 -.4035 .7460 -.1594 .6795 .1522 .3719 .0050 100 GLU 100 -1.9096 -.3559 999.9900 -1.0323 .6899 -.6520 .6836 .5260 .5917 -.2330 101 GLY 101 .8169 999.9900 999.9900 999.9900 .7883 .8026 .5800 .4673 .5174 .6631 102 LYS 102 -.3543 -2.1617 999.9900 .2495 .7460 -.2542 .6816 .1532 .3734 -.0623 103 ILE 103 -.8418 -.2679 999.9900 999.9900 .6034 -.1688 .6541 .0338 .2923 .0363 104 LEU 104 -3.3085 -.3814 999.9900 999.9900 .9565 -.9111 .6700 .1435 .3629 -.3840 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6799 .3745 .5017 -.3899 106 LYS 106 -.2978 -1.0793 999.9900 -.4035 .7460 -.2876 .6821 .1602 .3776 -.0851 107 VAL 107 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6609 .1203 .3455 .0335 108 VAL 108 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6591 .1188 .3439 .1635 109 GLY 109 -.3145 999.9900 999.9900 999.9900 .7883 .2369 .5909 .4881 .5338 .3882 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6628 .3257 .4662 .0711 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6768 .1553 .3726 -.3399 112 LYS 112 1.2214 -1.9682 999.9900 .1140 .7460 .0455 .6779 .1467 .3680 .1503 113 ASP 113 .6354 -.7152 999.9900 999.9900 .8104 .2435 .6747 .3864 .5065 .3583 114 GLU 114 .8733 -2.3808 999.9900 1.1588 .6899 .0853 .6800 .5220 .5878 .2572 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6805 .1534 .3730 -.0774 116 GLN 116 .1632 -2.2325 999.9900 1.3059 .5113 -.0630 .6783 .5220 .5871 .1580 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6814 .5315 .5940 .4088 118 THR 118 .7717 999.9900 .0483 999.9900 .4476 .4225 .6577 -.2628 .1208 .3325 119 ILE 119 .6852 .4983 999.9900 999.9900 .6034 .5956 .6605 .0507 .3048 .4996 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6682 .3146 .4620 .5663 121 LYS 121 1.0429 -2.9005 999.9900 .3240 .7460 -.0927 .6806 .1523 .3724 .0528 122 HIS 122 .1567 1.0622 999.9900 999.9900 .6686 .6292 .6794 .3292 .4751 .5792 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6801 .1526 .3724 -.6139 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6614 .2460 .4240 .4537 Means: -.3243 -1.6541 -.2003 .3351 .7026 -.1821 .6592 .2384 .4142 .0624 2.00 analyzed_8