1 MET 1 999.9900 -1.4323 999.9900 .9587 .5203 .0156 .6739 .5003 .5792 .2442 2 GLY 2 -.3903 999.9900 999.9900 999.9900 .7883 .1990 .5692 .4689 .5135 .3590 3 HIS 3 -1.4902 1.3140 999.9900 999.9900 .6686 .1641 .6772 .3260 .4723 .2991 4 HIS 4 -.4125 -3.1083 999.9900 999.9900 .6686 -.9507 .6772 .3208 .4693 -.3708 5 HIS 5 .1408 -.2881 999.9900 999.9900 .6686 .1738 .6825 .3304 .4771 .3069 6 HIS 6 -.6701 -.3484 999.9900 999.9900 .6686 -.1166 .6781 .3239 .4715 .1304 7 HIS 7 -.3815 -3.1083 999.9900 999.9900 .6686 -.9404 .6825 .3289 .4762 -.3620 8 HIS 8 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6766 .3181 .4675 -.7687 9 LEU 9 -3.7702 -1.4497 999.9900 999.9900 .9565 -1.4211 .6795 .1599 .3764 -.6848 10 GLU 10 -2.1524 -1.9198 999.9900 -1.0323 .6899 -1.1037 .6766 .5253 .5883 -.5355 11 MET 11 -1.8017 -2.5481 999.9900 1.7963 .5203 -.5083 .6732 .5151 .5810 -.1408 12 ALA 12 -1.2649 999.9900 999.9900 999.9900 .7458 -.2596 .6607 .3279 .4666 .1174 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6804 .5322 .5940 -.5184 14 GLU 14 -.5863 -2.3808 999.9900 -1.0323 .6899 -.8274 .6655 .5179 .5794 -.3543 15 GLU 15 -2.3953 -1.9198 999.9900 .3501 .6899 -.8188 .6796 .5238 .5887 -.3453 16 GLY 16 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5810 .4666 .5174 .6767 17 GLN 17 -.4306 -2.6982 999.9900 1.3059 .5113 -.3279 .6711 .5145 .5798 -.0210 18 VAL 18 -.1817 999.9900 .9747 999.9900 .7810 .5247 .6608 .1220 .3465 .4714 19 ILE 19 -.4647 .2821 999.9900 999.9900 .6034 .1403 .6525 .0341 .2918 .2215 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6635 .3137 .4594 .2347 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6749 .3088 .4613 .3298 22 HIS 22 -.6280 1.0771 999.9900 999.9900 .6686 .3726 .6729 .3224 .4684 .4226 23 THR 23 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6564 -.2582 .1229 -.1212 24 VAL 24 -.2954 999.9900 -1.0788 999.9900 .7810 -.1977 .6520 .1239 .3439 .0366 25 GLU 25 .7157 -1.1891 999.9900 .3501 .6899 .1416 .6807 .5261 .5905 .2956 26 THR 26 .8748 999.9900 .6346 999.9900 .4476 .6523 .6579 -.2595 .1227 .4711 27 TRP 27 .9545 -3.3859 999.9900 999.9900 .9378 -.4978 .6786 .1921 .3948 -.1246 28 ASN 28 1.1678 -2.7010 999.9900 999.9900 .7518 -.2604 .6752 .3716 .4981 .0531 29 GLU 29 .7157 -.9194 999.9900 -1.0323 .6899 -.1365 .6794 .5251 .5894 .1097 30 GLN 30 .9732 -2.2325 999.9900 2.7911 .5113 .5108 .6742 .5285 .5892 .5410 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6780 .1431 .3659 .2177 32 GLN 32 .7451 -.9251 999.9900 1.3059 .5113 .4093 .6795 .5268 .5904 .4739 33 LYS 33 .8536 -1.6955 999.9900 -.4035 .7460 -.1806 .6695 .1595 .3720 -.0106 34 ALA 34 -.2135 999.9900 999.9900 999.9900 .7458 .2661 .6651 .3175 .4623 .3787 35 ASN 35 .2867 -3.3254 999.9900 999.9900 .7518 -.7623 .6772 .3850 .5068 -.2449 36 GLU 36 .1449 .0298 999.9900 -1.0323 .6899 -.0419 .6756 .5109 .5795 .1698 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6774 .5199 .5855 .0969 38 LYS 38 -1.2247 -1.9682 999.9900 .1140 .7460 -.4438 .6821 .1509 .3722 -.1980 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6553 -.2605 .1211 -.0476 40 LEU 40 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6818 .1552 .3746 -.3601 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6602 .1247 .3478 .1127 42 VAL 42 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6568 .1294 .3491 .2114 43 VAL 43 -.1306 999.9900 .8662 999.9900 .7810 .5055 .6612 .1281 .3502 .4612 44 ASP 44 -.2609 .0784 999.9900 999.9900 .8104 .2093 .6739 .3834 .5044 .3370 45 PHE 45 -.3673 .8190 999.9900 999.9900 .7573 .4030 .6735 .1044 .3416 .3974 46 THR 46 .5049 999.9900 -.8810 999.9900 .4476 .0238 .6567 -.2461 .1301 .0964 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6615 .3169 .4605 .2959 48 SER 48 .6980 999.9900 1.0592 999.9900 .6705 .8092 .6730 .5344 .5921 .7270 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6725 .1913 .3918 -.2362 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6832 .3134 .4675 -.1543 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3465 .4696 .4149 -.0098 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5344 -.3634 .0107 -.1233 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6810 .3163 .4683 .2476 54 ARG 54 .6041 -1.0788 999.9900 .6901 .8581 .3527 .6705 .5213 .5835 .4222 55 PHE 55 -.3554 -.1288 999.9900 999.9900 .7573 .0910 .6815 .0984 .3414 .2106 56 ILE 56 -1.3063 -2.2551 999.9900 999.9900 .6034 -.9860 .6622 .0494 .3047 -.4493 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4970 .3197 .3936 .4816 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5391 -.3711 .0081 -.1240 59 PHE 59 1.0502 -.8499 999.9900 999.9900 .7573 .3192 .6810 .0958 .3396 .3469 60 PHE 60 .6090 -.2975 999.9900 999.9900 .7573 .3563 .6778 .1042 .3432 .3702 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6615 .3184 .4613 .5223 62 ASP 62 1.3227 -2.4630 999.9900 999.9900 .8104 -.1100 .6727 .3832 .5038 .1452 63 LEU 63 .8786 -2.1315 999.9900 999.9900 .9565 -.0988 .6787 .1650 .3790 .1094 64 ALA 64 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6677 .3302 .4709 .6829 65 LYS 65 .0195 .3079 999.9900 -.0397 .7460 .1988 .6797 .1593 .3761 .2619 66 LYS 66 .0419 -1.1755 999.9900 -.0770 .7460 -.1083 .6764 .1471 .3676 .0403 67 LEU 67 -2.0123 -1.8889 999.9900 999.9900 .9565 -.9816 .4895 .1498 .2913 -.4611 68 PRO 68 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .5391 -.3718 .0077 .0207 69 ASN 69 .1214 -.7732 999.9900 999.9900 .7518 .0334 .6830 .3876 .5107 .2341 70 VAL 70 -.3682 999.9900 .9224 999.9900 .7810 .4451 .6557 .1190 .3426 .4220 71 LEU 71 -.1775 -2.5464 999.9900 999.9900 .9565 -.5891 .6757 .1463 .3669 -.1891 72 PHE 72 .1161 -.4548 999.9900 999.9900 .7573 .1395 .6790 .1078 .3458 .2411 73 LEU 73 -.5178 -2.3037 999.9900 999.9900 .9565 -.6217 .6776 .1647 .3784 -.2045 74 LYS 74 -.3286 -2.4344 999.9900 -.4035 .7460 -.5648 .6689 .1533 .3681 -.2860 75 VAL 75 .3894 999.9900 .4980 999.9900 .7810 .5561 .6538 .1264 .3462 .4897 76 ASP 76 -.2530 -2.4630 999.9900 999.9900 .8104 -.6352 .6747 .3807 .5032 -.1700 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6596 -.2695 .1176 .0874 78 ASP 78 .9921 -.1779 999.9900 999.9900 .8104 .5415 .6750 .3795 .5026 .5358 79 GLU 79 -.8591 -2.3808 999.9900 .3501 .6899 -.5500 .6797 .5247 .5893 -.1659 80 LEU 80 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .6827 .1596 .3776 -.9035 81 LYS 81 .6780 -2.1617 999.9900 -.0397 .7460 -.1634 .6777 .1529 .3716 .0019 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6769 .5362 .5948 .4709 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6596 .1099 .3390 .1381 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6569 .3083 .4536 .6338 85 SER 85 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6770 .5289 .5906 .4695 86 ASP 86 .2706 -1.4992 999.9900 999.9900 .8104 -.1394 .6772 .3700 .4980 .1258 87 TRP 87 -.3273 -1.9067 999.9900 999.9900 .9378 -.4321 .6787 .1815 .3887 -.0872 88 ALA 88 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6726 .3327 .4743 -.0237 89 ILE 89 -.0918 -.4959 999.9900 999.9900 .6034 .0052 .6552 .0355 .2937 .1413 90 GLN 90 -1.3658 -2.6982 999.9900 1.3059 .5113 -.5617 .6839 .5267 .5922 -.1727 91 ALA 91 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6622 .3198 .4625 .2372 92 MET 92 -.5247 -.9517 999.9900 .9587 -1.9874 -.6263 .4905 .5156 .5052 -.2498 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5591 -.3620 .0218 .2666 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6562 -.2514 .1268 .0925 95 PHE 95 -.2255 -.1035 999.9900 999.9900 .7573 .1428 .6722 .1094 .3439 .2420 96 MET 96 -.2520 -1.5870 999.9900 .9587 .5203 -.0900 .6782 .5153 .5832 .1389 97 PHE 97 -.2986 -3.0602 999.9900 999.9900 .7573 -.8672 .6751 .1147 .3482 -.3623 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6719 .1622 .3746 -.5764 99 LYS 99 -.1919 .4083 999.9900 -.4035 .7460 .0311 .6798 .1530 .3725 .1412 100 GLU 100 -1.4621 -.6022 999.9900 .3501 .6899 -.2561 .6784 .5272 .5902 .0302 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5824 .4624 .5158 .7368 102 LYS 102 -.3543 -.8217 999.9900 -.4035 .7460 -.2474 .6772 .1562 .3733 -.0577 103 ILE 103 -1.3252 -1.3043 999.9900 999.9900 .6034 -.6754 .6583 .0383 .2966 -.2659 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6758 .1597 .3748 -.2696 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6843 .3945 .5152 -.3850 106 LYS 106 -.2455 -2.9005 999.9900 -.0770 .7460 -.5108 .6806 .1589 .3763 -.2449 107 VAL 107 .0429 999.9900 .3968 999.9900 .7810 .4069 .6567 .1184 .3427 .3992 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6625 .1271 .3502 .0794 109 GLY 109 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5710 .4651 .5122 .4308 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6652 .3184 .4629 .0699 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6711 .1583 .3720 -.3403 112 LYS 112 1.2214 -1.5918 999.9900 .4411 .7460 .2516 .6705 .1595 .3724 .2983 113 ASP 113 .6354 -2.8653 999.9900 999.9900 .8104 -.4732 .6825 .3852 .5090 -.0704 114 GLU 114 .7157 -2.8418 999.9900 1.1588 .6899 -.0694 .6771 .5197 .5853 .1532 115 LEU 115 .2355 -1.4996 999.9900 999.9900 .9565 -.1025 .6708 .1582 .3718 .1043 116 GLN 116 .4537 -1.2219 999.9900 1.3059 .5113 .2622 .6756 .5193 .5844 .3740 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6809 .5361 .5964 .4074 118 THR 118 .7717 999.9900 -.2947 999.9900 .4476 .3082 .6612 -.2527 .1281 .2666 119 ILE 119 .6852 -1.4972 999.9900 999.9900 .6034 -.0695 .6554 .0430 .2982 .0980 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6699 .3277 .4703 .5700 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6742 .1404 .3628 -.0911 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6752 .3213 .4688 .4915 123 LEU 123 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6705 .1714 .3794 -.3815 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6602 .2430 .4218 .4516 Means: -.2379 -1.5675 -.3412 .1907 .7026 -.1636 .6585 .2395 .4146 .0738 2.00 analyzed_17