1 GLU 1 999.9900 -.2533 999.9900 1.1588 .6899 .5318 .6720 .5101 .5837 .5555 2 ALA 2 -.9332 999.9900 999.9900 999.9900 .7458 -.0937 .6720 .3156 .4641 .2001 3 GLU 3 -3.2255 -2.8418 999.9900 .3501 .6899 -1.2568 .6823 .5326 .5950 -.6354 4 VAL 4 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6564 .1184 .3426 -.4173 5 HIS 5 -.1684 1.2411 999.9900 999.9900 .6686 .5804 .6769 .3338 .4768 .5504 6 ASN 6 -.5865 -2.3357 999.9900 999.9900 .7518 -.7235 .6822 .3885 .5109 -.2199 7 GLN 7 -1.5899 -2.2325 999.9900 1.3059 .5113 -.5013 .6753 .5183 .5837 -.1353 8 LEU 8 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6802 .1632 .3786 -.2476 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6822 .5253 .5906 -.4044 10 ILE 10 -.1366 .2838 999.9900 999.9900 .6034 .2502 .6570 .0314 .2921 .2878 11 LYS 11 -.1715 -2.9005 999.9900 -.4035 .7460 -.6266 .6698 .1569 .3706 -.3295 12 PHE 12 -.0721 .9147 999.9900 999.9900 .7573 .5333 .6758 .0985 .3391 .4749 13 ARG 13 -.6502 -1.3337 999.9900 .6901 .8581 .0509 .6741 .5167 .5823 .2064 14 LEU 14 -2.0617 -2.9612 999.9900 999.9900 .9565 -1.3554 .6778 .1705 .3819 -.6436 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6538 -.2629 .1191 .0875 16 ASP 16 .0771 -2.8653 999.9900 999.9900 .8104 -.6593 .6786 .3815 .5053 -.1836 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5920 .4710 .5248 .7207 18 SER 18 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .6745 .5242 .5868 .2275 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6782 .3747 .5011 -.3395 20 ILE 20 -.4035 -3.0500 999.9900 999.9900 .6034 -.9500 .6546 .0401 .2962 -.4311 21 GLY 21 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .3559 .4781 .4238 -.0391 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5398 -.3632 .0130 .2502 23 LYS 23 -.2799 -2.1617 999.9900 -.4035 .7460 -.5005 .6759 .1632 .3768 -.2376 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6643 .3113 .4584 .2468 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4969 .0797 .2535 .1210 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5374 -.3593 .0143 .2619 27 ASP 27 .2994 .5558 999.9900 999.9900 .8104 .5552 .6786 .3798 .5043 .5448 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6648 .3255 .4669 .2153 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6582 -.2566 .1246 -.0511 30 THR 30 -.6210 999.9900 .4804 999.9900 .4476 .1023 .6502 -.2460 .1274 .1422 31 VAL 31 -.8511 999.9900 .3968 999.9900 .7810 .1089 .6571 .1296 .3494 .2227 32 SER 32 .8349 999.9900 -.0289 999.9900 .6705 .4922 .6725 .5245 .5862 .5347 33 ALA 33 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6684 .3047 .4563 .5639 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6793 .1442 .3672 -.1555 35 LYS 35 1.2214 -.5094 999.9900 .3240 .7460 .4212 .6715 .1539 .3695 .4188 36 GLU 36 1.0761 -.7859 999.9900 1.1588 .6899 .5347 .6802 .5216 .5877 .5568 37 THR 37 1.1372 999.9900 .4804 999.9900 .4476 .6884 .6564 -.2545 .1250 .4934 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6548 .1228 .3445 .3052 39 ILE 39 .7069 .5468 999.9900 999.9900 .6034 .6190 .6604 .0470 .3026 .5129 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6780 .5332 .5936 .4063 41 GLU 41 1.0761 -1.3804 999.9900 1.7325 .6899 .5295 .6738 .5274 .5884 .5532 42 TRP 42 -.0620 -3.3859 999.9900 999.9900 .9378 -.8367 .4971 .1946 .3206 -.3637 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5497 -.3660 .0155 -.4208 44 ARG 44 .2784 -2.3766 999.9900 1.0005 .8581 .1522 .6794 .5171 .5847 .2796 45 GLU 45 -.1289 -1.9198 999.9900 -1.0323 .6899 -.5978 .6765 .5313 .5918 -.1972 46 LYS 46 -2.5748 -1.4228 999.9900 -.4035 .7460 -.8117 .6786 .1623 .3774 -.4597 47 GLU 47 -3.2255 1.0486 999.9900 -1.0323 .6899 -.6298 .6756 .5252 .5879 -.2198 48 ASN 48 -2.5793 .0416 999.9900 999.9900 .7518 -.5953 .6756 .3788 .5025 -.1463 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .3396 .4731 .4138 .0308 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5364 -.3850 -.0011 .1972 51 LYS 51 -3.5196 -.9203 999.9900 -.4035 .7460 -.9002 .6730 .1575 .3723 -.5244 52 THR 52 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6619 -.2618 .1231 .0337 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6622 .1121 .3413 .2085 54 LYS 54 .0195 -.7632 999.9900 -.0397 .7460 -.0154 .6747 .1590 .3739 .1081 55 GLU 55 -1.6450 .8793 999.9900 1.1588 .6899 .2707 .6743 .5169 .5825 .3790 56 VAL 56 .0429 999.9900 .5873 999.9900 .7810 .4704 .6578 .1126 .3398 .4363 57 LYS 57 -.1867 -.9566 999.9900 -.4035 .7460 -.2409 .6775 .1525 .3712 -.0535 58 LEU 58 -.0977 -2.9612 999.9900 999.9900 .9565 -.7008 .6765 .1585 .3744 -.2535 59 ILE 59 .1962 .6227 999.9900 999.9900 .6034 .4741 .6604 .0485 .3035 .4262 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6812 .5351 .5960 -.0081 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6684 .3216 .4661 -.0043 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5898 .4730 .5249 .6229 63 LYS 63 -.3099 -1.0359 999.9900 -.4035 .7460 -.2814 .6748 .1600 .3745 -.0817 64 VAL 64 -.5725 999.9900 .5873 999.9900 .7810 .2653 .6570 .1261 .3473 .3158 65 LEU 65 -.4282 -2.7185 999.9900 999.9900 .9565 -.7301 .6761 .1449 .3662 -.2738 66 GLU 66 -.7937 -2.3808 999.9900 -1.0323 .6899 -.8792 .6796 .5171 .5848 -.3867 67 ASN 67 .1528 -1.5725 999.9900 999.9900 .7518 -.2226 .6757 .3768 .5013 .0769 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6717 .5193 .5828 .2528 69 LYS 69 -.8956 1.1188 999.9900 .2495 .7460 .2937 .6760 .1552 .3722 .3285 70 THR 70 -.5003 999.9900 -.8810 999.9900 .4476 -.3112 .6561 -.2325 .1377 -.1020 71 VAL 71 .3707 999.9900 .9224 999.9900 .7810 .6914 .6555 .1245 .3457 .5708 72 LYS 72 .8536 -2.1617 999.9900 .4778 .7460 .0787 .6789 .1590 .3756 .1759 73 ASP 73 .6418 -2.3194 999.9900 999.9900 .8104 -.2891 .6760 .3838 .5056 .0385 74 TYR 74 -1.2852 -4.1972 999.9900 999.9900 .5630 -1.6398 .6791 -.1837 .1758 -.8848 75 ARG 75 -1.4842 -1.4154 999.9900 .1593 .8581 -.3446 .6784 .5279 .5906 -.0738 76 SER 76 -.2118 999.9900 -.7153 999.9900 .6705 -.0855 .4940 .5202 .5093 .1515 77 PRO 77 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5522 -.3769 .0102 -.4042 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6507 .1151 .3383 -.7746 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6846 .5316 .5953 -.5177 80 ASN 80 -3.4329 -1.8756 999.9900 999.9900 .7518 -1.5189 .6801 .3859 .5085 -.6981 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6676 .1622 .3728 -.9890 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6678 .3211 .4655 -.4325 83 GLY 83 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5745 .4644 .5133 -.1578 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6708 .3313 .4728 .3817 85 VAL 85 -.7345 999.9900 .1416 999.9900 .7810 .0627 .6570 .1291 .3491 .1949 86 THR 86 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .6600 -.2594 .1237 .0419 87 THR 87 .1937 999.9900 .4804 999.9900 .4476 .3739 .6642 -.2608 .1246 .3050 88 MET 88 -.3657 -2.5481 999.9900 .9587 .5203 -.3587 .6757 .5179 .5836 -.0402 89 HIS 89 -.2420 -.6348 999.9900 999.9900 .6686 -.0694 .6812 .3170 .4688 .1580 90 VAL 90 -.3161 999.9900 .4980 999.9900 .7810 .3210 .6582 .1336 .3522 .3510 91 ILE 91 .2866 -3.0500 999.9900 999.9900 .6034 -.7200 .6521 .0557 .3042 -.2904 92 ILE 92 -.1621 -1.6252 999.9900 999.9900 .6034 -.3946 .6641 .0568 .3099 -.0926 93 GLN 93 -1.6601 -1.7668 999.9900 1.3059 .5113 -.4024 .6752 .5164 .5825 -.0697 94 ALA 94 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .4895 .3155 .3880 .2077 95 PRO 95 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5374 -.3741 .0057 .2582 96 VAL 96 .2188 999.9900 -.2457 999.9900 .7810 .2514 .6519 .1334 .3494 .3079 97 THR 97 -.0150 999.9900 -.2947 999.9900 .4476 .0460 .6649 -.2533 .1293 .1099 98 GLU 98 -3.2255 -.9977 999.9900 -1.0323 .6899 -1.1414 .6725 .5139 .5800 -.5632 99 LYS 99 -3.5196 -2.9005 999.9900 -.4035 .7460 -1.2962 .6860 .1562 .3769 -.8056 100 GLU 100 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6737 .5182 .5830 -.7160 101 LYS 101 999.9900 -2.9005 999.9900 -.0397 999.9900 -.9933 .6774 -.0325 .2718 -.4670 Means: -.6930 -1.5540 -.3119 .0666 .6979 -.2762 .6482 .2058 .3908 -.0063 2.00 analyzed_5