1 MET 1 999.9900 -1.5870 999.9900 .9587 .5203 -.0360 .6750 .5078 .5838 .2150 2 GLY 2 -.0138 999.9900 999.9900 999.9900 .7883 .3873 .5703 .4722 .5158 .4543 3 HIS 3 -1.2838 -3.1083 999.9900 999.9900 .6686 -1.2412 .6764 .3383 .4792 -.5417 4 HIS 4 -.0795 -.9211 999.9900 999.9900 .6686 -.1107 .6707 .3346 .4747 .1347 5 HIS 5 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6778 .3239 .4714 -.6110 6 HIS 6 -1.1190 -3.1083 999.9900 999.9900 .6686 -1.1862 .6782 .3294 .4747 -.5102 7 HIS 7 -3.0884 -.9211 999.9900 999.9900 .6686 -1.1136 .6727 .3232 .4688 -.4690 8 HIS 8 -.0795 .0128 999.9900 999.9900 .6686 .2006 .6801 .3214 .4709 .3207 9 LEU 9 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6815 .1428 .3673 -1.0731 10 GLU 10 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6744 .5154 .5817 -.7482 11 MET 11 -2.6662 -1.3058 999.9900 .9587 .5203 -.6233 .6800 .5155 .5841 -.2163 12 ALA 12 -.5544 999.9900 999.9900 999.9900 .7458 .0957 .6693 .3078 .4584 .2921 13 SER 13 -1.7828 999.9900 -.7153 999.9900 .6705 -.6092 .6748 .5259 .5879 -.1254 14 GLU 14 -.5863 -1.3804 999.9900 -1.0323 .6899 -.5773 .6754 .5201 .5848 -.1856 15 GLU 15 -2.8104 -2.3808 999.9900 -1.0323 .6899 -1.3834 .6798 .5250 .5895 -.7215 16 GLY 16 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .5687 .4688 .5132 .7426 17 GLN 17 -.5591 -2.6982 999.9900 1.3059 .5113 -.3600 .6754 .5206 .5851 -.0407 18 VAL 18 .3372 999.9900 -.0276 999.9900 .7810 .3636 .6624 .1159 .3436 .3738 19 ILE 19 -.1621 -1.7297 999.9900 999.9900 .6034 -.4295 .6589 .0271 .2904 -.1205 20 ALA 20 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6678 .3223 .4663 .0715 21 CYS 21 -.0010 999.9900 .8629 999.9900 .9108 .5909 .6791 .3180 .4685 .5540 22 HIS 22 -.9209 -.9211 999.9900 999.9900 .6686 -.3912 .6734 .3253 .4703 -.0350 23 THR 23 -.5585 999.9900 .6346 999.9900 .4476 .1745 .6574 -.2530 .1263 .1856 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6590 .1191 .3441 .2413 25 GLU 25 .7157 -2.8418 999.9900 -1.0323 .6899 -.6171 .6726 .5177 .5823 -.2130 26 THR 26 1.2375 999.9900 .4804 999.9900 .4476 .7218 .6580 -.2512 .1276 .5144 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6801 .2014 .4009 .5558 28 ASN 28 .9310 -2.3357 999.9900 999.9900 .7518 -.2176 .6812 .3878 .5101 .0832 29 GLU 29 .7157 -.8493 999.9900 -1.0323 .6899 -.1190 .6745 .5136 .5806 .1187 30 GLN 30 .7370 -2.6982 999.9900 2.7911 .5113 .3353 .6810 .5254 .5902 .4246 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6808 .1529 .3728 .1856 32 GLN 32 1.0064 -1.9601 999.9900 1.3059 .5113 .2159 .6796 .5288 .5916 .3453 33 LYS 33 .6780 .5334 999.9900 -.4035 .7460 .2301 .6729 .1612 .3744 .2835 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6576 .3147 .4575 .5636 35 ASN 35 -.1896 -2.7010 999.9900 999.9900 .7518 -.7129 .6835 .3858 .5098 -.2139 36 GLU 36 .1449 -1.2470 999.9900 -1.0323 .6899 -.3611 .6785 .5309 .5924 -.0392 37 SER 37 -.0687 999.9900 -.7153 999.9900 .6705 -.0378 .6786 .5371 .5960 .2204 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6830 .1561 .3756 -.2317 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6572 -.2575 .1236 -.0467 40 LEU 40 -.1625 -3.3760 999.9900 999.9900 .9565 -.8607 .6792 .1622 .3776 -.3481 41 VAL 41 .0764 999.9900 -.5532 999.9900 .7810 .1014 .6577 .1309 .3504 .2186 42 VAL 42 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6543 .1318 .3495 .1208 43 VAL 43 -.0288 999.9900 .3968 999.9900 .7810 .3830 .6522 .1277 .3462 .3858 44 ASP 44 -.3633 -1.1348 999.9900 999.9900 .8104 -.2292 .6825 .3831 .5078 .0756 45 PHE 45 -.2457 -.1035 999.9900 999.9900 .7573 .1361 .6765 .0921 .3356 .2354 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6575 -.2713 .1157 -.0230 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6674 .3058 .4565 .2946 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6781 .5241 .5883 .3812 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6760 .1898 .3924 -.5792 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6756 .3176 .4667 -.1548 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3440 .4748 .4167 -.1714 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5431 -.3760 .0070 -.1242 53 CYS 53 -.1941 -2.0054 999.9900 .2382 .9108 -.2626 .6753 .3199 .4680 -.0092 54 ARG 54 .9556 -2.3766 999.9900 1.0005 .8581 .2876 .6806 .5125 .5826 .3759 55 PHE 55 .1779 -.1118 999.9900 999.9900 .7573 .2745 .6754 .0969 .3380 .3191 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6587 .0391 .2973 -.6586 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4811 .3170 .3854 .4769 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5465 -.3684 .0128 -.1215 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6773 .1105 .3467 .1958 60 PHE 60 .6090 -2.0028 999.9900 999.9900 .7573 -.2122 .6796 .0995 .3412 .0285 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6687 .3240 .4676 .5256 62 ASP 62 1.3227 -2.1980 999.9900 999.9900 .8104 -.0216 .6748 .3748 .4998 .1969 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6780 .1509 .3705 -.0256 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6620 .3097 .4565 .6203 65 LYS 65 .1686 .7114 999.9900 -.4035 .7460 .1638 .6824 .1558 .3752 .2367 66 LYS 66 .0419 -2.9005 999.9900 .4411 .7460 -.2461 .6780 .1746 .3844 -.0540 67 LEU 67 -3.0384 -3.3760 999.9900 999.9900 .9565 -1.8193 .4916 .1477 .2910 -.9637 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5516 -.3597 .0200 .0591 69 ASN 69 -1.0675 -.9481 999.9900 999.9900 .7518 -.4212 .6790 .3775 .5031 -.0414 70 VAL 70 -.3682 999.9900 -.0276 999.9900 .7810 .1284 .6618 .1079 .3387 .2310 71 LEU 71 -.4065 -3.3760 999.9900 999.9900 .9565 -.9420 .6803 .1565 .3748 -.3978 72 PHE 72 .1161 -2.4384 999.9900 999.9900 .7573 -.5216 .6770 .0903 .3347 -.1595 73 LEU 73 -.5178 -3.3760 999.9900 999.9900 .9565 -.9791 .6740 .1508 .3688 -.4225 74 LYS 74 -.2858 -1.2879 999.9900 .3240 .7460 -.0359 .6820 .1480 .3705 .0929 75 VAL 75 .3758 999.9900 .1416 999.9900 .7810 .4328 .6481 .1228 .3417 .4139 76 ASP 76 -.1054 -2.1980 999.9900 999.9900 .8104 -.4977 .6746 .3756 .5002 -.0886 77 THR 77 .3736 999.9900 .0483 999.9900 .4476 .2898 .6527 -.2435 .1299 .2557 78 ASP 78 .6418 -2.3194 999.9900 999.9900 .8104 -.2891 .6781 .3816 .5051 .0385 79 GLU 79 -2.2616 -1.5476 999.9900 -1.0323 .6899 -1.0379 .6809 .5188 .5864 -.4920 80 LEU 80 -2.5767 -1.4497 999.9900 999.9900 .9565 -1.0233 .6779 .1502 .3701 -.4483 81 LYS 81 .9480 -2.4344 999.9900 -.4035 .7460 -.3095 .6805 .1494 .3707 -.1025 82 SER 82 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .6729 .5345 .5922 .1314 83 VAL 83 1.0462 999.9900 .6672 999.9900 .7810 .8315 .6520 .1414 .3542 .6576 84 ALA 84 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6595 .3302 .4674 .6808 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6738 .5275 .5884 .4495 86 ASP 86 .6201 -.2893 999.9900 999.9900 .8104 .3804 .6744 .3816 .5036 .4395 87 TRP 87 -.7409 -1.0414 999.9900 999.9900 .9378 -.2815 .6739 .1838 .3880 .0026 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6592 .3193 .4609 -.4351 89 ILE 89 -3.1479 -.2003 999.9900 999.9900 .6034 -.9149 .6571 .0511 .3036 -.4073 90 GLN 90 -1.4152 -2.6982 999.9900 1.3059 .5113 -.5740 .6789 .5220 .5874 -.1825 91 ALA 91 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .6654 .3165 .4619 .2410 92 MET 92 -.5247 -1.1064 999.9900 .9587 -1.9874 -.6649 .4912 .5146 .5049 -.2757 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5522 -.3495 .0262 .2680 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6606 -.2424 .1339 .0951 95 PHE 95 -.2255 -.3840 999.9900 999.9900 .7573 .0493 .6719 .0968 .3364 .1833 96 MET 96 -.2520 .2906 999.9900 .9587 .5203 .3794 .6799 .5248 .5894 .4537 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6762 .0979 .3389 -.6539 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6712 .1582 .3719 -.5773 99 LYS 99 -.3099 -1.0359 999.9900 .1731 .7460 -.0507 .6784 .1610 .3765 .0837 100 GLU 100 -1.4621 -2.1111 999.9900 .3501 .6899 -.6333 .6730 .5239 .5860 -.2227 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5886 .4828 .5299 .7434 102 LYS 102 -.3543 -2.1617 999.9900 .1731 .7460 -.2848 .6750 .1630 .3763 -.0837 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6642 .0419 .3012 .1075 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6797 .1585 .3757 -.2691 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6685 .3750 .4973 -.3920 106 LYS 106 -1.5497 -2.4344 999.9900 -.0770 .7460 -.6784 .6818 .1571 .3757 -.3647 107 VAL 107 -.0463 999.9900 -.2457 999.9900 .7810 .1630 .6617 .1140 .3422 .2529 108 VAL 108 .1037 999.9900 -1.0788 999.9900 .7810 -.0647 .6495 .1219 .3417 .1155 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5746 .4655 .5140 .3537 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6694 .3220 .4667 .0718 111 LYS 111 -.9887 -1.2879 999.9900 -.4035 .7460 -.4675 .6755 .1671 .3789 -.2136 112 LYS 112 1.2214 -1.5020 999.9900 -.4035 .7460 -.0683 .6761 .1656 .3783 .0714 113 ASP 113 .9343 -1.6521 999.9900 999.9900 .8104 .0309 .6723 .3764 .4997 .2283 114 GLU 114 .0765 -1.7714 999.9900 .3501 .6899 -.1637 .6695 .5147 .5792 .0882 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6746 .1423 .3641 -.1419 116 GLN 116 .1632 .0182 999.9900 1.3059 .5113 .4996 .6851 .5202 .5889 .5340 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6781 .5276 .5903 .4074 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6603 -.2532 .1274 .1491 119 ILE 119 .6852 .0606 999.9900 999.9900 .6034 .4497 .6568 .0397 .2968 .4092 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6680 .3227 .4666 .5682 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6797 .1541 .3731 -.1550 122 HIS 122 .1567 .2086 999.9900 999.9900 .6686 .3447 .6774 .3188 .4682 .4061 123 LEU 123 -2.1729 -3.3760 999.9900 999.9900 .9565 -1.5308 .6764 .1549 .3722 -.7522 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6647 .2477 .4264 .4562 Means: -.3429 -1.7652 -.3614 .0917 .7026 -.2482 .6588 .2393 .4146 .0219 2.00 analyzed_5