1 GLU 1 999.9900 -.8493 999.9900 -1.0323 .6899 -.3973 .6739 .5135 .5864 -.0009 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6732 .3215 .4680 -.0647 3 GLU 3 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6783 .5203 .5862 -.6699 4 VAL 4 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6581 .1240 .3466 -.4159 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6815 .3260 .4741 -.9041 6 ASN 6 -3.4329 -1.0869 999.9900 999.9900 .7518 -1.2560 .6751 .3761 .5007 -.5433 7 GLN 7 -2.2003 -1.3011 999.9900 1.3059 .5113 -.4210 .6696 .5161 .5801 -.0831 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6764 .1596 .3749 -.3320 9 GLU 9 -.4497 -2.1111 999.9900 -1.0323 .6899 -.7258 .6764 .5230 .5869 -.2840 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6573 .0561 .3066 .3201 11 LYS 11 -.1715 -2.9005 999.9900 -.0397 .7460 -.4811 .6755 .1518 .3700 -.2254 12 PHE 12 -.0400 .5863 999.9900 999.9900 .7573 .4345 .6746 .0853 .3309 .4127 13 ARG 13 -.6502 -1.7413 999.9900 .5548 .8581 -.0848 .6757 .5107 .5794 .1089 14 LEU 14 -1.2495 -1.8410 999.9900 999.9900 .9565 -.7113 .6778 .1557 .3732 -.2601 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6547 -.2465 .1290 .0910 16 ASP 16 .0771 -3.7306 999.9900 999.9900 .8104 -.9477 .6805 .3701 .4994 -.3585 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5682 .4664 .5117 .7342 18 SER 18 .1748 999.9900 -.7153 999.9900 .6705 .0433 .6818 .5426 .6006 .2709 19 ASP 19 -.9509 -1.7105 999.9900 999.9900 .8104 -.6170 .6767 .3893 .5090 -.1570 20 ILE 20 -.2252 -.1471 999.9900 999.9900 .6034 .0770 .6580 .0439 .2997 .1866 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3491 .4716 .4172 .0200 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5440 -.3591 .0172 .2522 23 LYS 23 -.2799 -1.1755 999.9900 -.4035 .7460 -.3033 .6739 .1597 .3739 -.0976 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6681 .3215 .4659 .2391 25 PHE 25 -.1586 -.4548 999.9900 999.9900 .7573 .0480 .4887 .1047 .2647 .1475 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5488 -.3810 .0064 .2593 27 ASP 27 .2994 -.9533 999.9900 999.9900 .8104 .0522 .6718 .3769 .4998 .2410 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6621 .3208 .4630 .2134 29 THR 29 .0286 999.9900 -.8810 999.9900 .4476 -.1349 .6637 -.2571 .1266 .0004 30 THR 30 -.0745 999.9900 .2916 999.9900 .4476 .2216 .6584 -.2461 .1308 .2154 31 VAL 31 -1.6906 999.9900 .9224 999.9900 .7810 .0043 .6627 .1269 .3501 .1605 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6763 .5306 .5913 .4225 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6695 .3154 .4630 .5236 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6702 .1519 .3679 -.1438 35 LYS 35 .6780 -1.3520 999.9900 .6506 .7460 .2746 .6793 .1449 .3676 .3139 36 GLU 36 .6833 -.7859 999.9900 .3501 .6899 .2343 .6807 .5212 .5877 .3565 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6605 -.2777 .1132 .1589 38 VAL 38 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6612 .1294 .3510 .2118 39 ILE 39 1.0067 -.0414 999.9900 999.9900 .6034 .5229 .6546 .0390 .2955 .4524 40 SER 40 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6769 .5318 .5922 .4229 41 GLU 41 -.2326 -2.1111 999.9900 -1.0323 .6899 -.6716 .6803 .5242 .5892 -.2470 42 TRP 42 .1017 .0906 999.9900 999.9900 .9378 .3767 .4909 .1940 .3177 .3630 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5517 -.3673 .0156 .0098 44 ARG 44 .2784 .0154 999.9900 .1593 .8581 .2941 .6856 .5259 .5925 .3832 45 GLU 45 -.1289 -.2670 999.9900 -1.0323 .6899 -.1846 .6750 .5168 .5827 .0756 46 LYS 46 -3.5196 -1.9682 999.9900 -.4035 .7460 -1.1098 .6809 .1503 .3714 -.6739 47 GLU 47 -1.0469 -.8169 999.9900 -1.0323 .6899 -.5516 .6744 .5123 .5798 -.1699 48 ASN 48 .4497 -.5409 999.9900 999.9900 .7518 .2202 .6805 .3817 .5062 .3446 49 GLY 49 -.4622 999.9900 999.9900 999.9900 .7883 .1631 .3442 .4745 .4166 .2862 50 PRO 50 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5430 -.3944 -.0038 .2432 51 LYS 51 -2.1934 .2358 999.9900 -.0770 .7460 -.2731 .6791 .1403 .3648 -.0780 52 THR 52 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6598 -.2489 .1297 .0420 53 VAL 53 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6547 .1217 .3438 .1699 54 LYS 54 .7090 -.2178 999.9900 -.0397 .7460 .2315 .6823 .1434 .3679 .2833 55 GLU 55 -3.2255 -.2670 999.9900 -1.0323 .6899 -.9587 .6777 .5283 .5906 -.4382 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6665 .1240 .3501 .1072 57 LYS 57 -.2075 -.9951 999.9900 .1140 .7460 -.0457 .6746 .1403 .3629 .0838 58 LEU 58 -.0977 -3.3760 999.9900 999.9900 .9565 -.8391 .6761 .1586 .3742 -.3365 59 ILE 59 -.2113 .6122 999.9900 999.9900 .6034 .3348 .6611 .0391 .2983 .3409 60 SER 60 -1.1635 999.9900 -.0289 999.9900 .6705 -.1740 .6760 .5319 .5919 .1372 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6678 .3164 .4628 -.0058 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5877 .4796 .5276 .4962 63 LYS 63 -.2023 -.6131 999.9900 .1731 .7460 .0554 .6759 .1722 .3821 .1607 64 VAL 64 -.5725 999.9900 -1.0788 999.9900 .7810 -.2901 .6584 .1195 .3441 -.0184 65 LEU 65 .0762 -2.3037 999.9900 999.9900 .9565 -.4237 .6822 .1615 .3785 -.0855 66 GLU 66 -.9070 -1.7714 999.9900 .3501 .6899 -.4096 .6719 .5193 .5829 -.0745 67 ASN 67 .1528 -1.1653 999.9900 999.9900 .7518 -.0869 .6755 .3798 .5030 .1589 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6789 .5291 .5915 .2562 69 LYS 69 -.8956 .9554 999.9900 -.4035 .7460 -.0003 .6830 .1657 .3812 .1211 70 THR 70 -.6884 999.9900 -.8810 999.9900 .4476 -.3740 .6556 -.2552 .1243 -.1443 71 VAL 71 .9834 999.9900 .9224 999.9900 .7810 .8956 .6585 .1289 .3496 .6948 72 LYS 72 .9480 -1.3520 999.9900 -.4035 .7460 -.0930 .6782 .1506 .3704 .0520 73 ASP 73 .2251 -2.6388 999.9900 999.9900 .8104 -.5344 .6730 .3710 .4968 -.1119 74 TYR 74 -.8868 -2.2600 999.9900 999.9900 .5630 -.8613 .6721 -.1717 .1799 -.4167 75 ARG 75 -.4155 -1.8960 999.9900 .1593 .8581 -.2269 .6843 .5260 .5919 .0108 76 SER 76 -.3025 999.9900 -.7153 999.9900 .6705 -.1158 .4964 .5337 .5182 .1366 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5453 -.3533 .0212 .1634 78 VAL 78 -2.0289 999.9900 -1.0788 999.9900 .7810 -.7755 .6542 .1208 .3431 -.3103 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6760 .5380 .5955 -.5181 80 ASN 80 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6695 .3745 .4974 -.7427 81 LEU 81 -1.4412 -3.3760 999.9900 999.9900 .9565 -1.2869 .6805 .1603 .3771 -.6040 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6642 .3285 .4684 -.4315 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5835 .4681 .5194 -.2079 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6719 .3244 .4692 .1782 85 VAL 85 -.7345 999.9900 -.5532 999.9900 .7810 -.1689 .6558 .1127 .3390 .0524 86 THR 86 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6589 -.2591 .1234 .0622 87 THR 87 .1937 999.9900 .0483 999.9900 .4476 .2298 .6620 -.2700 .1184 .2163 88 MET 88 -.3503 -.4711 999.9900 .9587 .5203 .1644 .6808 .5181 .5859 .3094 89 HIS 89 -.4783 .5126 999.9900 999.9900 .6686 .2343 .6732 .3229 .4688 .3398 90 VAL 90 -.5494 999.9900 -1.0788 999.9900 .7810 -.2824 .6574 .1171 .3422 -.0145 91 ILE 91 .1962 -2.4201 999.9900 999.9900 .6034 -.5402 .6690 .0419 .3032 -.1819 92 ILE 92 -.3198 -1.4255 999.9900 999.9900 .6034 -.3806 .6564 .0544 .3053 -.0862 93 GLN 93 -1.6601 -2.6982 999.9900 2.7911 .5113 -.2640 .6831 .5289 .5931 .0260 94 ALA 94 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .4692 .3307 .3884 .2064 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5394 -.3434 .0245 .0873 96 VAL 96 -1.7973 999.9900 .3968 999.9900 .7810 -.2065 .6540 .1212 .3432 .0311 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6564 -.2592 .1223 -.8486 98 GLU 98 -.4269 -1.6501 999.9900 -1.0323 .6899 -.6049 .6752 .5140 .5812 -.2050 99 LYS 99 -3.5196 -2.1617 999.9900 -.4035 .7460 -1.1485 .6790 .1490 .3699 -.7020 100 GLU 100 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6745 .5240 .5867 -.7468 101 LYS 101 999.9900 -2.1617 999.9900 -.4035 999.9900 -.9896 .6723 -.0193 .2771 -.4632 Means: -.6650 -1.3705 -.5930 -.1152 .6979 -.2846 .6484 .2057 .3908 -.0115 2.00 analyzed_11