1 GLU 1 999.9900 -1.3804 999.9900 -1.0323 .6899 -.5743 .6720 .5064 .5817 -.1089 2 ALA 2 -.9755 999.9900 999.9900 999.9900 .7458 -.1149 .6609 .3120 .4574 .1858 3 GLU 3 -3.2255 -1.9198 999.9900 .3501 .6899 -1.0263 .6794 .5284 .5913 -.4829 4 VAL 4 -.7202 999.9900 -.2457 999.9900 .7810 -.0616 .6578 .1243 .3466 .1195 5 HIS 5 -.6280 -1.7284 999.9900 999.9900 .6686 -.5626 .6792 .3180 .4685 -.1381 6 ASN 6 -2.5793 -2.7010 999.9900 999.9900 .7518 -1.5095 .6831 .3916 .5131 -.6908 7 GLN 7 -1.5899 -.8787 999.9900 1.3059 .5113 -.1629 .6709 .5226 .5844 .0903 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6787 .1519 .3714 -.1672 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6745 .5178 .5831 -.4070 10 ILE 10 -.1366 -.3653 999.9900 999.9900 .6034 .0338 .6571 .0472 .3013 .1611 11 LYS 11 -.1715 -.8858 999.9900 -.4035 .7460 -.2237 .6828 .1524 .3734 -.0404 12 PHE 12 .0900 -.1815 999.9900 999.9900 .7573 .2219 .6781 .0850 .3321 .2858 13 ARG 13 -.4063 -1.6149 999.9900 .5548 .8581 -.0107 .6816 .5214 .5881 .1642 14 LEU 14 -1.2495 -2.4128 999.9900 999.9900 .9565 -.9020 .6734 .1460 .3658 -.3773 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6614 -.2736 .1160 .0869 16 ASP 16 .0771 -1.3712 999.9900 999.9900 .8104 -.1612 .6802 .3874 .5094 .1168 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5744 .4693 .5160 .7365 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6748 .5262 .5881 .2811 19 ASP 19 -.9509 -3.1847 999.9900 999.9900 .8104 -1.1084 .6790 .3932 .5123 -.4506 20 ILE 20 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6564 .0435 .2988 -.2975 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3392 .4611 .4069 .0149 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5484 -.3350 .0331 .2594 23 LYS 23 -.3414 -1.3520 999.9900 -.4035 .7460 -.3509 .6729 .1638 .3759 -.1311 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6671 .3252 .4677 .2510 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4896 .1075 .2667 .1251 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5546 -.3432 .0309 .2702 27 ASP 27 .2994 -1.2961 999.9900 999.9900 .8104 -.0621 .6742 .3761 .5003 .1728 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6691 .3175 .4640 .2144 29 THR 29 -.1023 999.9900 -.8810 999.9900 .4476 -.1786 .6649 -.2585 .1263 -.0259 30 THR 30 .0286 999.9900 -.8810 999.9900 .4476 -.1349 .6521 -.2531 .1241 -.0012 31 VAL 31 -1.6906 999.9900 -1.0788 999.9900 .7810 -.6628 .6559 .1292 .3486 -.2407 32 SER 32 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6745 .5241 .5867 .4490 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6683 .3226 .4667 .2847 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6758 .1495 .3688 -.1431 35 LYS 35 .8536 -2.4344 999.9900 .3546 .7460 -.0251 .6769 .1458 .3671 .0996 36 GLU 36 .8733 -1.2470 999.9900 .3501 .6899 .1666 .6835 .5212 .5888 .3118 37 THR 37 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6555 -.2634 .1194 .1461 38 VAL 38 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6554 .1130 .3390 .2394 39 ILE 39 .4667 .4983 999.9900 999.9900 .6034 .5228 .6564 .0335 .2930 .4517 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6748 .5278 .5891 .4068 41 GLU 41 1.0761 -1.2470 999.9900 -1.0323 .6899 -.1283 .6769 .5269 .5894 .1151 42 TRP 42 -.6038 -2.6463 999.9900 999.9900 .9378 -.7708 .4968 .1951 .3208 -.3241 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5479 -.3924 -.0006 -.2020 44 ARG 44 .3315 -.7463 999.9900 .1593 .8581 .1524 .6771 .5208 .5859 .2800 45 GLU 45 .0765 -.8169 999.9900 -1.0323 .6899 -.2707 .6700 .5259 .5859 .0189 46 LYS 46 -3.5196 -1.1257 999.9900 -.0770 .7460 -.8106 .6689 .1524 .3676 -.4617 47 GLU 47 -2.8104 -1.9198 999.9900 -1.0323 .6899 -1.2682 .6817 .5181 .5863 -.6455 48 ASN 48 -.9968 .0199 999.9900 999.9900 .7518 -.0750 .6797 .3767 .5030 .1663 49 GLY 49 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .3505 .4704 .4171 .2406 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5508 -.3789 .0085 .0812 51 LYS 51 -3.5196 -1.1755 999.9900 -.4035 .7460 -.9512 .6705 .1599 .3726 -.5608 52 THR 52 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6601 -.2593 .1238 -.0834 53 VAL 53 1.0462 999.9900 .7395 999.9900 .7810 .8556 .6597 .1295 .3504 .6712 54 LYS 54 .0195 -1.5918 999.9900 -.4035 .7460 -.3267 .6802 .1541 .3733 -.1142 55 GLU 55 -1.3222 .3642 999.9900 -1.0323 .6899 -.3251 .6702 .5170 .5809 -.0189 56 VAL 56 .3116 999.9900 .8055 999.9900 .7810 .6327 .6601 .1358 .3542 .5388 57 LYS 57 -.2512 -2.4344 999.9900 -.0397 .7460 -.4038 .6778 .1595 .3754 -.1688 58 LEU 58 -.0411 -3.3760 999.9900 999.9900 .9565 -.8202 .6752 .1616 .3756 -.3248 59 ILE 59 .0187 -1.4972 999.9900 999.9900 .6034 -.2917 .6571 .0452 .3001 -.0346 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6831 .5354 .5970 .0020 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .6628 .3131 .4588 -.0009 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5829 .4749 .5229 .4939 63 LYS 63 -.3099 -1.6955 999.9900 -.4035 .7460 -.4133 .6813 .1525 .3728 -.1761 64 VAL 64 -.4485 999.9900 -.5532 999.9900 .7810 -.0735 .6568 .1259 .3471 .1124 65 LEU 65 -.4416 -.9670 999.9900 999.9900 .9565 -.1507 .6794 .1457 .3680 .0746 66 GLU 66 -.7442 -1.6501 999.9900 -1.0323 .6899 -.6842 .6709 .5201 .5829 -.2576 67 ASN 67 .6639 -3.3254 999.9900 999.9900 .7518 -.6365 .6774 .3857 .5073 -.1693 68 SER 68 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6744 .5283 .5892 .3712 69 LYS 69 -.2345 -1.9682 999.9900 .1731 .7460 -.2221 .6756 .1543 .3715 -.0401 70 THR 70 -.6082 999.9900 -.8810 999.9900 .4476 -.3472 .6590 -.2507 .1283 -.1267 71 VAL 71 .5660 999.9900 .5873 999.9900 .7810 .6448 .6619 .1239 .3481 .5440 72 LYS 72 .8536 -2.9005 999.9900 -.0770 .7460 -.2910 .6727 .1470 .3660 -.0908 73 ASP 73 1.1359 -1.8420 999.9900 999.9900 .8104 .0348 .6825 .3860 .5095 .2346 74 TYR 74 -.7788 -4.1972 999.9900 999.9900 .5630 -1.4710 .6712 -.1797 .1749 -.7843 75 ARG 75 -.3457 -2.8571 999.9900 .1593 .8581 -.4052 .6831 .5219 .5891 -.1173 76 SER 76 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .4806 .5309 .5100 .1237 77 PRO 77 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5494 -.3652 .0159 .0097 78 VAL 78 -3.2710 999.9900 -1.0788 999.9900 .7810 -1.1896 .6644 .1236 .3490 -.5561 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6768 .5305 .5915 -.5195 80 ASN 80 -.4415 -.9481 999.9900 999.9900 .7518 -.2126 .6765 .3812 .5043 .0840 81 LEU 81 -3.7702 -2.3037 999.9900 999.9900 .9565 -1.7058 .6759 .1559 .3726 -.8571 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6661 .3203 .4644 -.4331 83 GLY 83 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .5837 .4668 .5188 .0774 84 ALA 84 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6654 .3144 .4606 .2064 85 VAL 85 -.7345 999.9900 -.5532 999.9900 .7810 -.1689 .6628 .1179 .3449 .0548 86 THR 86 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6553 -.2539 .1250 .0609 87 THR 87 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6581 -.2781 .1120 .0281 88 MET 88 -.1902 -.1452 999.9900 .9587 .5203 .2859 .6794 .5189 .5858 .3903 89 HIS 89 -.5497 -1.1713 999.9900 999.9900 .6686 -.3508 .6786 .3298 .4751 -.0088 90 VAL 90 .0764 999.9900 -.2457 999.9900 .7810 .2039 .6509 .1131 .3372 .2751 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6575 .0330 .2932 -.2803 92 ILE 92 .2768 -2.1272 999.9900 999.9900 .6034 -.4157 .6554 .0362 .2942 -.1111 93 GLN 93 -1.2769 -1.2219 999.9900 1.3059 .5113 -.1704 .6768 .5206 .5857 .0860 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4767 .3245 .3879 .1465 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5381 -.3575 .0157 .0834 96 VAL 96 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6580 .1289 .3494 -.7703 97 THR 97 .1734 999.9900 -.8810 999.9900 .4476 -.0867 .6549 -.2816 .1086 .0227 98 GLU 98 -.7937 -.8834 999.9900 -1.0323 .6899 -.5049 .6802 .5272 .5910 -.1354 99 LYS 99 -2.1934 -1.9682 999.9900 -.4035 .7460 -.8445 .6740 .1588 .3735 -.4843 100 GLU 100 -.4497 -.5578 999.9900 -1.0323 .6899 -.3375 .6764 .5195 .5849 -.0257 101 LYS 101 999.9900 -2.1617 999.9900 .3240 999.9900 -.5045 .6729 -.0329 .2696 -.1747 Means: -.5459 -1.6787 -.6192 -.1545 .6979 -.3080 .6480 .2050 .3902 -.0261 2.00 analyzed_14