1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6774 .5060 .5839 .0228 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 .7458 -.6055 .6624 .3118 .4579 -.0592 3 ASP 3 -2.5838 -3.1847 999.9900 999.9900 .8104 -1.6527 .6792 .3761 .5024 -.7806 4 THR 4 -.6608 999.9900 -.2947 999.9900 .4476 -.1693 .6559 -.2572 .1233 -.0218 5 GLY 5 -1.0699 999.9900 999.9900 999.9900 .7883 -.1408 .5805 .4631 .5153 .1905 6 GLU 6 -3.2255 .5461 999.9900 -1.0323 .6899 -.7555 .6803 .5217 .5878 -.3033 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6584 .1287 .3494 .0886 8 GLN 8 -.5881 -1.1512 999.9900 2.7911 .5113 .3908 .6743 .5138 .5807 .4585 9 PHE 9 -.4296 .6387 999.9900 999.9900 .7573 .3221 .6797 .0956 .3390 .3484 10 MET 10 -.8637 -2.5481 999.9900 .9587 .5203 -.4832 .6772 .5152 .5827 -.1234 11 LYS 11 -.7523 -1.1257 999.9900 -.4035 .7460 -.3878 .4919 .1579 .2971 -.1842 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5392 -.3661 .0111 .2493 13 PHE 13 -.2255 -.8310 999.9900 999.9900 .7573 -.0997 .6764 .1156 .3493 .0986 14 ILE 14 .2866 -.2165 999.9900 999.9900 .6034 .2245 .6564 .0507 .3031 .2761 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6723 .5290 .5887 .3241 16 GLU 16 .1025 -1.4588 999.9900 .3501 .6899 -.0791 .6735 .5180 .5828 .1459 17 LYS 17 -1.1367 -.5094 999.9900 -.4035 .7460 -.3414 .6768 .1633 .3773 -.1239 18 SER 18 -.1309 999.9900 1.2119 999.9900 .6705 .5838 .6749 .5327 .5919 .5918 19 SER 19 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6883 .5413 .6026 .3842 20 LYS 20 -3.5196 -1.5918 999.9900 .1140 .7460 -.8275 .6723 .1521 .3689 -.4733 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6750 .5329 .5921 .2382 22 LEU 22 -.5178 -3.3760 999.9900 999.9900 .9565 -.9791 .6753 .1580 .3736 -.4208 23 GLU 23 -.6642 -1.1891 999.9900 .3501 .6899 -.2033 .6775 .5279 .5902 .0653 24 ILE 24 -.1408 -.2165 999.9900 999.9900 .6034 .0820 .4805 .0452 .2266 .1544 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5497 -.3624 .0176 .2528 26 LEU 26 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6846 .1537 .3749 -.1526 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5835 .4702 .5206 .3740 28 PHE 28 -1.2843 -1.6624 999.9900 999.9900 .7573 -.7298 .6794 .0988 .3408 -.2822 29 ASN 29 .1214 -2.3357 999.9900 999.9900 .7518 -.4875 .6710 .3798 .5011 -.0823 30 GLU 30 -.2702 -1.4588 999.9900 .3501 .6899 -.1722 .6734 .5259 .5874 .0851 31 TYR 31 -.5975 -4.1972 999.9900 999.9900 .5630 -1.4106 .6750 -.1754 .1790 -.7464 32 PHE 32 -3.6149 .0697 999.9900 999.9900 .7573 -.9293 .4931 .1057 .2672 -.4378 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5534 -.3833 .0070 .2485 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4699 .3137 .3788 .2715 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5610 -.3552 .0266 .2688 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4803 .0984 .2575 -.2162 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5459 -.3562 .0197 .2068 38 ILE 38 .5785 -1.4972 999.9900 999.9900 .6034 -.1051 .6620 .0413 .2999 .0776 39 THR 39 -.5707 999.9900 -.2947 999.9900 .4476 -.1393 .6576 -.2658 .1189 -.0052 40 VAL 40 .0764 999.9900 .4980 999.9900 .7810 .4518 .6581 .1145 .3410 .4256 41 ASP 41 -.5526 -2.0928 999.9900 999.9900 .8104 -.6117 .6775 .3859 .5074 -.1543 42 LEU 42 -.1897 -.0645 999.9900 999.9900 .9565 .2341 .6814 .1569 .3755 .3081 43 LEU 43 -.3896 -2.4128 999.9900 999.9900 .9565 -.6153 .6765 .1663 .3789 -.2006 44 ASP 44 -1.3478 -.3515 999.9900 999.9900 .8104 -.2963 .6732 .3849 .5050 .0338 45 TYR 45 -3.6999 -2.6175 999.9900 999.9900 .5630 -1.9181 .6827 -.1674 .1868 -1.0478 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6735 .5335 .5918 -.5195 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5837 .4793 .5257 -.1517 48 ARG 48 -.9903 -.8531 999.9900 .1593 .8581 -.1333 .6722 .5118 .5786 .0739 49 SER 49 -.5771 999.9900 -.0289 999.9900 .6705 .0215 .6740 .5270 .5883 .2531 50 TRP 50 -.0034 -1.0414 999.9900 999.9900 .9378 -.0357 .6826 .1868 .3934 .1525 51 THR 51 .2328 999.9900 -.2947 999.9900 .4476 .1286 .6595 -.2715 .1164 .1547 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6607 .1340 .3535 .0878 53 ARG 53 -.7228 -1.6149 999.9900 .1593 .8581 -.2322 .6766 .5145 .5820 .0043 54 MET 54 -.2142 .5321 999.9900 .9587 .5203 .4492 .6791 .5234 .5883 .4999 55 LYS 55 -.6340 -1.5020 999.9900 -.4035 .7460 -.4394 .6770 .1591 .3749 -.1944 56 LYS 56 -.3543 -.9203 999.9900 -.4035 .7460 -.2671 .6808 .1573 .3754 -.0711 57 ARG 57 -1.5415 -2.8571 999.9900 .1593 .8581 -.6444 .6746 .5160 .5821 -.2902 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5811 .4719 .5205 .3104 59 GLU 59 -.4382 -1.9198 999.9900 .3501 .6899 -.3295 .6775 .5154 .5830 -.0208 60 LYS 60 -.3038 -.2695 999.9900 -.4035 .7460 -.1269 .6727 .1509 .3683 .0270 61 VAL 61 .0764 999.9900 -.5532 999.9900 .7810 .1014 .6573 .1224 .3452 .2168 62 PHE 62 -.3916 -1.3471 999.9900 999.9900 .7573 -.3271 .6758 .1066 .3438 -.0398 63 LEU 63 -.7582 -2.9612 999.9900 999.9900 .9565 -.9210 .6832 .1462 .3700 -.3867 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6588 -.2411 .1338 -.5722 65 VAL 65 -.7790 999.9900 -1.0788 999.9900 .7810 -.3589 .6642 .1206 .3471 -.0584 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5865 .4628 .5178 -.2837 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6810 .1891 .3941 -.4541 68 GLU 68 .6116 -1.3104 999.9900 1.1588 .6899 .2875 .6777 .5225 .5872 .3917 69 ASN 69 1.3908 -2.7010 999.9900 999.9900 .7518 -.1861 .6758 .3762 .5010 .0987 70 PHE 70 .6259 -2.5581 999.9900 999.9900 .7573 -.3917 .6727 .0994 .3383 -.0806 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6626 .1111 .3409 .2919 72 LYS 72 .9480 -1.1257 999.9900 .4411 .7460 .2901 .6761 .1516 .3701 .3255 73 ASP 73 .9343 -2.8653 999.9900 999.9900 .8104 -.3735 .6824 .3867 .5099 -.0103 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6777 .3755 .5014 -.0807 75 ASN 75 -3.4329 -.2320 999.9900 999.9900 .7518 -.9710 .6800 .3813 .5058 -.3703 76 LEU 76 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .6793 .1493 .3701 -.9063 77 GLU 77 -1.1136 -1.7714 999.9900 -1.0323 .6899 -.8068 .6737 .5204 .5843 -.3389 78 ASP 78 -1.0430 -1.4992 999.9900 999.9900 .8104 -.5773 .6809 .3754 .5027 -.1351 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5981 .4805 .5328 -.4049 80 LYS 80 -.7762 -.5490 999.9900 -.0397 .7460 -.1317 .6751 .1475 .3673 .0234 81 TYR 81 .2346 -1.6488 999.9900 999.9900 .5630 -.2838 .6758 -.1662 .1846 -.0683 82 LEU 82 -.5757 -3.3760 999.9900 999.9900 .9565 -.9984 .6780 .1524 .3714 -.4330 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6801 .5241 .5891 .0211 84 PHE 84 -.2457 -3.3183 999.9900 999.9900 .7573 -.9355 .6778 .1048 .3435 -.4048 85 ILE 85 .0718 -3.0500 999.9900 999.9900 .6034 -.7916 .6553 .0447 .2991 -.3350 86 TYR 86 .4225 .6919 999.9900 999.9900 .5630 .5591 .6778 -.1663 .1854 .4378 87 ASP 87 -1.9072 -.6983 999.9900 999.9900 .8104 -.5984 .6753 .3741 .4996 -.1491 88 ARG 88 -2.9267 .1176 999.9900 .1593 .8581 -.3265 .6790 .5129 .5821 -.0629 89 ASP 89 -2.8635 -2.4630 999.9900 999.9900 .8104 -1.5054 .6815 .3838 .5079 -.6902 90 ARG 90 -1.5415 -.8531 999.9900 .1593 .8581 -.2436 .6759 .5135 .5812 -.0041 91 THR 91 .3531 999.9900 -.8810 999.9900 .4476 -.0268 .6578 -.2577 .1238 .0639 92 PHE 92 .1161 -1.4910 999.9900 999.9900 .7573 -.2058 .6780 .1064 .3446 .0334 93 TYR 93 .3730 -.9448 999.9900 999.9900 .5630 -.0030 .6703 -.1847 .1715 .0953 94 VAL 94 -.5494 999.9900 .7395 999.9900 .7810 .3237 .6575 .1182 .3429 .3494 95 ILE 95 -.7007 .8809 999.9900 999.9900 .6034 .2612 .6622 .0477 .3038 .2987 96 ILE 96 .3059 -.7023 999.9900 999.9900 .6034 .0690 .6538 .0312 .2906 .1784 97 TYR 97 -.1387 -.7135 999.9900 999.9900 .5630 -.0964 .6780 -.1800 .1775 .0418 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5785 .4618 .5137 -.0289 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6804 .3188 .4695 -.9058 100 ASN 100 -3.4329 .9797 999.9900 999.9900 .7518 -.5671 .6807 .3853 .5084 -.1271 101 MET 101 -1.3694 -2.5481 999.9900 .9587 .5203 -.6096 .6743 .5161 .5820 -.2080 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6788 .2474 .4323 .3520 Means: -.7839 -1.5071 -.3402 .1799 .7095 -.3359 .6528 .2115 .3962 -.0405 2.00 analyzed_12