1 MET 1 999.9900 -1.5870 999.9900 .9587 .5203 -.0360 .6766 .5025 .5816 .2142 2 ALA 2 -2.5451 999.9900 999.9900 999.9900 .7458 -.8997 .6686 .3181 .4641 -.2032 3 ASP 3 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6768 .3756 .5011 -.8688 4 THR 4 -.3275 999.9900 .4804 999.9900 .4476 .2001 .6591 -.2599 .1230 .1999 5 GLY 5 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .5792 .4758 .5217 .2991 6 GLU 6 -3.2255 -.7281 999.9900 -1.0323 .6899 -1.0740 .6762 .5216 .5860 -.5164 7 VAL 7 -.0463 999.9900 -.2457 999.9900 .7810 .1630 .6521 .1185 .3408 .2519 8 GLN 8 -.6834 -2.2325 999.9900 1.3059 .5113 -.2747 .6796 .5170 .5848 .0163 9 PHE 9 .1225 -.9090 999.9900 999.9900 .7573 -.0097 .6770 .1063 .3441 .1508 10 MET 10 -.2651 -1.5870 999.9900 .9587 .5203 -.0933 .6766 .5162 .5830 .1366 11 LYS 11 -.8267 -2.9005 999.9900 .1140 .7460 -.5506 .4797 .1698 .2989 -.3005 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5335 -.3911 -.0059 .2416 13 PHE 13 .0900 -3.0602 999.9900 999.9900 .7573 -.7376 .6770 .0972 .3388 -.2877 14 ILE 14 -.0918 -1.7297 999.9900 999.9900 .6034 -.4061 .6568 .0393 .2966 -.1044 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6762 .5260 .5886 .3589 16 GLU 16 1.0761 -2.8418 999.9900 -1.0323 .6899 -.5271 .6759 .5261 .5885 -.1510 17 LYS 17 -2.0221 -1.5020 999.9900 -.4035 .7460 -.7170 .6722 .1601 .3735 -.3933 18 SER 18 -.6212 999.9900 -.7153 999.9900 .6705 -.2220 .6730 .5289 .5890 .1072 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6807 .5297 .5926 .2649 20 LYS 20 -3.5196 -.7918 999.9900 .3240 .7460 -.5835 .6758 .1655 .3781 -.2966 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6817 .5364 .5970 .1569 22 LEU 22 -.2022 -2.9612 999.9900 999.9900 .9565 -.7356 .6786 .1564 .3740 -.2744 23 GLU 23 -.7347 -2.8418 999.9900 1.1588 .6899 -.4320 .6798 .5320 .5936 -.0860 24 ILE 24 .2593 -1.2776 999.9900 999.9900 .6034 -.1383 .4632 .0361 .2140 .0169 25 PRO 25 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5412 -.3696 .0099 .2023 26 LEU 26 1.1349 -2.2115 999.9900 999.9900 .9565 -.0400 .6796 .1592 .3760 .1437 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5672 .4664 .5112 .4988 28 PHE 28 -1.3242 -2.5581 999.9900 999.9900 .7573 -1.0417 .6737 .1076 .3435 -.4687 29 ASN 29 1.1272 -.1488 999.9900 999.9900 .7518 .5768 .6808 .3850 .5082 .5592 30 GLU 30 -.2702 -2.8418 999.9900 -1.0323 .6899 -.8636 .6837 .5286 .5932 -.3737 31 TYR 31 .3981 -2.9749 999.9900 999.9900 .5630 -.6713 .6810 -.1815 .1778 -.3029 32 PHE 32 -3.6149 -1.2830 999.9900 999.9900 .7573 -1.3802 .4780 .1081 .2622 -.7109 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5386 -.3600 .0144 .2507 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4797 .3239 .3888 .2765 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5428 -.3694 .0107 .2607 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .5056 .0974 .2675 -.2114 37 PRO 37 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5453 -.3826 .0040 .1561 38 ILE 38 .2963 -1.4972 999.9900 999.9900 .6034 -.1992 .6635 .0408 .3003 .0214 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6543 -.2471 .1285 -.1670 40 VAL 40 -.0523 999.9900 .1416 999.9900 .7810 .2901 .6568 .1189 .3430 .3292 41 ASP 41 -.4836 .5924 999.9900 999.9900 .8104 .3064 .6740 .3817 .5035 .3950 42 LEU 42 .1006 .1975 999.9900 999.9900 .9565 .4182 .6793 .1564 .3743 .4181 43 LEU 43 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6777 .1441 .3664 -.3043 44 ASP 44 -1.5212 -2.6388 999.9900 999.9900 .8104 -1.1165 .6797 .3730 .5008 -.4594 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6734 -.1713 .1807 -1.3664 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6722 .5228 .5851 -.5219 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5880 .4794 .5277 -.4077 48 ARG 48 -.5733 -1.2607 999.9900 .1593 .8581 -.1315 .6696 .5188 .5816 .0759 49 SER 49 -.0526 999.9900 .6576 999.9900 .6705 .4252 .6776 .5287 .5907 .4964 50 TRP 50 -.5632 -.6490 999.9900 999.9900 .9378 -.0915 .6744 .1819 .3871 .1164 51 THR 51 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6542 -.2507 .1263 .1500 52 VAL 52 -.1853 999.9900 -.5532 999.9900 .7810 .0142 .6617 .1178 .3444 .1644 53 ARG 53 -.5160 -2.3766 999.9900 .1593 .8581 -.3432 .6806 .5159 .5845 -.0742 54 MET 54 -.2520 .1642 999.9900 .9587 .5203 .3478 .6788 .5193 .5858 .4316 55 LYS 55 -.5771 -2.1617 999.9900 -.4035 .7460 -.5600 .6706 .1379 .3599 -.2845 56 LYS 56 -.3543 -.9203 999.9900 -.0397 .7460 -.1216 .6806 .1702 .3829 .0347 57 ARG 57 -.7228 -1.6149 999.9900 .1593 .8581 -.2322 .6779 .5260 .5893 .0061 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5880 .4722 .5237 .3558 59 GLU 59 -1.0162 -.7564 999.9900 -1.0323 .6899 -.5288 .6832 .5312 .5945 -.1501 60 LYS 60 -.8956 -2.9005 999.9900 -.4035 .7460 -.7714 .6756 .1516 .3700 -.4328 61 VAL 61 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6547 .1302 .3488 .1060 62 PHE 62 -.3916 -3.3183 999.9900 999.9900 .7573 -.9842 .6794 .1100 .3473 -.4326 63 LEU 63 -.7582 -2.9612 999.9900 999.9900 .9565 -.9210 .6726 .1583 .3726 -.3864 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6596 -.2554 .1258 -.8472 65 VAL 65 -1.2071 999.9900 .4980 999.9900 .7810 .0240 .6549 .1270 .3470 .1708 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5812 .4679 .5183 -.2837 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6770 .1786 .3862 -.4570 68 GLU 68 .6116 -.2138 999.9900 -1.0323 .6899 .0138 .6819 .5241 .5898 .2102 69 ASN 69 1.0488 .8320 999.9900 999.9900 .7518 .8775 .6793 .3788 .5040 .7381 70 PHE 70 .8041 -.6308 999.9900 999.9900 .7573 .3102 .6762 .0953 .3373 .3404 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6592 .1250 .3476 .2940 72 LYS 72 .6780 -.8858 999.9900 -.4035 .7460 -.0538 .6793 .1472 .3689 .0797 73 ASP 73 .9921 -3.1847 999.9900 999.9900 .8104 -.4607 .6733 .3684 .4954 -.0681 74 ASN 74 .3666 -3.3254 999.9900 999.9900 .7518 -.7356 .6799 .3856 .5082 -.2283 75 ASN 75 -3.4329 .3924 999.9900 999.9900 .7518 -.7629 .6758 .3849 .5061 -.2456 76 LEU 76 -.1655 -.9358 999.9900 999.9900 .9565 -.0483 .6767 .1487 .3687 .1361 77 GLU 77 -1.3743 -2.8418 999.9900 -1.0323 .6899 -1.1396 .6683 .5180 .5806 -.5620 78 ASP 78 -.5899 -2.1980 999.9900 999.9900 .8104 -.6592 .6805 .3826 .5067 -.1829 79 GLY 79 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5838 .4710 .5211 -.1538 80 LYS 80 -.7762 -.9951 999.9900 -.0770 .7460 -.2359 .6765 .1448 .3663 -.0511 81 TYR 81 .4043 .0668 999.9900 999.9900 .5630 .3447 .6724 -.1667 .1829 .3080 82 LEU 82 -.3571 -1.7966 999.9900 999.9900 .9565 -.3991 .6741 .1547 .3711 -.0737 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6789 .5171 .5845 .0197 84 PHE 84 -.2457 -3.3183 999.9900 999.9900 .7573 -.9355 .6759 .0968 .3381 -.4068 85 ILE 85 .1597 -2.6526 999.9900 999.9900 .6034 -.6298 .6591 .0444 .3005 -.2372 86 TYR 86 .5504 -1.3246 999.9900 999.9900 .5630 -.0704 .6776 -.1662 .1854 .0600 87 ASP 87 -1.6875 -.2133 999.9900 999.9900 .8104 -.3635 .6731 .3914 .5087 -.0052 88 ARG 88 -2.0927 -.8531 999.9900 .5548 .8581 -.1956 .6756 .5190 .5843 .0309 89 ASP 89 -2.5838 -1.3712 999.9900 999.9900 .8104 -1.0482 .6760 .3732 .4993 -.4191 90 ARG 90 -1.3391 -1.5080 999.9900 .1593 .8581 -.3341 .6804 .5179 .5856 -.0674 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6596 -.2706 .1170 .0928 92 PHE 92 .0766 .5589 999.9900 999.9900 .7573 .4643 .6807 .1069 .3459 .4361 93 TYR 93 .3730 .2608 999.9900 999.9900 .5630 .3989 .6727 -.1820 .1741 .3375 94 VAL 94 -1.1939 999.9900 -.5532 999.9900 .7810 -.3220 .6580 .1292 .3495 -.0358 95 ILE 95 -.7007 -2.6526 999.9900 999.9900 .6034 -.9166 .6588 .0384 .2969 -.4105 96 ILE 96 -.6670 -1.5368 999.9900 999.9900 .6034 -.5335 .6587 .0254 .2893 -.1833 97 TYR 97 -.0495 -1.3246 999.9900 999.9900 .5630 -.2704 .6774 -.1956 .1681 -.0659 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5800 .4726 .5203 -.2077 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6782 .3235 .4713 -.9053 100 ASN 100 -1.5699 -1.2512 999.9900 999.9900 .7518 -.6897 .6785 .3796 .5042 -.2022 101 MET 101 -2.6662 -1.1990 999.9900 .9587 .5203 -.5965 .6718 .5157 .5807 -.1998 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6734 .2512 .4321 .3514 Means: -.7192 -1.6770 -.4272 .0310 .7095 -.3746 .6516 .2110 .3954 -.0646 2.00 analyzed_4