1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6703 .5044 .5798 .0211 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6695 .3280 .4703 -.4303 3 ASP 3 -.0277 -.8253 999.9900 999.9900 .8104 -.0142 .6774 .3821 .5052 .2034 4 THR 4 -.3004 999.9900 -.2947 999.9900 .4476 -.0492 .6475 -.2563 .1203 .0487 5 GLY 5 -.3145 999.9900 999.9900 999.9900 .7883 .2369 .5759 .4742 .5194 .3810 6 GLU 6 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6743 .5191 .5838 -.8694 7 VAL 7 -.0463 999.9900 -.0276 999.9900 .7810 .2357 .6617 .1182 .3446 .2974 8 GLN 8 -1.0957 -2.6982 999.9900 1.3059 .5113 -.4942 .6742 .5170 .5825 -.1309 9 PHE 9 -.1228 .5902 999.9900 999.9900 .7573 .4082 .6755 .0984 .3389 .3997 10 MET 10 -.2922 .5072 999.9900 .9587 .5203 .4235 .6772 .5171 .5838 .4814 11 LYS 11 -.2345 -2.9005 999.9900 .2495 .7460 -.3780 .4819 .1662 .2978 -.1774 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5347 -.3882 -.0036 .2427 13 PHE 13 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6768 .1043 .3429 -.5324 14 ILE 14 -.1796 -.5821 999.9900 999.9900 .6034 -.0528 .6543 .0422 .2973 .1076 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6788 .5355 .5952 .2616 16 GLU 16 .8171 -1.9198 999.9900 -1.0323 .6899 -.3613 .6784 .5229 .5877 -.0406 17 LYS 17 -1.4779 -1.5918 999.9900 -.4035 .7460 -.6262 .6811 .1496 .3710 -.3286 18 SER 18 -.6212 999.9900 -.7153 999.9900 .6705 -.2220 .6727 .5351 .5924 .1083 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6763 .5378 .5955 .2656 20 LYS 20 -3.5196 -1.5020 999.9900 -.0770 .7460 -.8859 .6785 .1584 .3751 -.5132 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6762 .5339 .5932 .1553 22 LEU 22 -.0411 -3.3760 999.9900 999.9900 .9565 -.8202 .6785 .1425 .3658 -.3279 23 GLU 23 -.7937 -2.1111 999.9900 .3501 .6899 -.4662 .6838 .5206 .5886 -.1101 24 ILE 24 -.1408 -.3653 999.9900 999.9900 .6034 .0324 .4512 .0438 .2135 .1185 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5481 -.3499 .0243 .1650 26 LEU 26 -.5228 -2.4128 999.9900 999.9900 .9565 -.6597 .6717 .1535 .3694 -.2308 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5731 .4572 .5087 .4980 28 PHE 28 -1.3242 -2.5581 999.9900 999.9900 .7573 -1.0417 .6783 .0987 .3402 -.4696 29 ASN 29 .6990 -.7732 999.9900 999.9900 .7518 .2259 .6823 .3892 .5113 .3498 30 GLU 30 .0468 -1.6501 999.9900 .3501 .6899 -.1408 .6746 .5235 .5865 .1058 31 TYR 31 .6431 -4.1972 999.9900 999.9900 .5630 -.9971 .6773 -.1725 .1816 -.4973 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .5011 .1032 .2690 -.5491 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5562 -.3449 .0305 .2588 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4721 .3187 .3826 .2733 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5374 -.3734 .0061 .2583 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4761 .0931 .2527 -.8971 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5327 -.3934 -.0075 .1942 38 ILE 38 -1.4718 -1.4972 999.9900 999.9900 .6034 -.7885 .6592 .0374 .2965 -.3338 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6572 -.2506 .1277 -.1195 40 VAL 40 -.0463 999.9900 .8055 999.9900 .7810 .5134 .6575 .1285 .3489 .4652 41 ASP 41 -.5526 -.3198 999.9900 999.9900 .8104 -.0207 .6738 .3708 .4970 .1965 42 LEU 42 -.1897 -.3814 999.9900 999.9900 .9565 .1285 .6830 .1515 .3730 .2440 43 LEU 43 -.1655 -2.1315 999.9900 999.9900 .9565 -.4469 .6773 .1533 .3716 -.1020 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6782 .3810 .5048 -.5034 45 TYR 45 -2.5417 -2.9749 999.9900 999.9900 .5630 -1.6512 .6745 -.1750 .1789 -.8909 46 SER 46 -3.7598 999.9900 -.0289 999.9900 .6705 -1.0394 .6800 .5393 .5979 -.3798 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5932 .4806 .5307 -.4061 48 ARG 48 -.5733 -1.5080 999.9900 .9503 .8581 .1355 .6740 .5126 .5798 .2663 49 SER 49 .0374 999.9900 -.0289 999.9900 .6705 .2264 .6754 .5266 .5886 .3762 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6778 .1811 .3880 .1905 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6542 -.2476 .1281 -.0517 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6545 .1176 .3413 .0920 53 ARG 53 -.5383 -2.3766 999.9900 .1593 .8581 -.3476 .6724 .5096 .5774 -.0794 54 MET 54 -.1902 -2.5481 999.9900 .9587 .5203 -.3148 .6772 .5221 .5867 -.0100 55 LYS 55 -.3223 -.5289 999.9900 .6506 .7460 .2392 .6824 .1534 .3738 .2903 56 LYS 56 -.1765 -2.1617 999.9900 -.0770 .7460 -.3492 .6738 .1613 .3748 -.1302 57 ARG 57 -.9010 -2.3766 999.9900 .1593 .8581 -.4202 .6810 .5210 .5877 -.1284 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5740 .4697 .5161 .0133 59 GLU 59 -1.0162 -1.5476 999.9900 -1.0323 .6899 -.7266 .6786 .5161 .5838 -.2853 60 LYS 60 -.1867 -1.1755 999.9900 -.4035 .7460 -.2846 .6825 .1422 .3673 -.0855 61 VAL 61 .4158 999.9900 -.2457 999.9900 .7810 .3171 .6592 .1218 .3457 .3464 62 PHE 62 -.3916 .0697 999.9900 999.9900 .7573 .1451 .6764 .1182 .3508 .2460 63 LEU 63 -.1479 -2.3037 999.9900 999.9900 .9565 -.4984 .6827 .1643 .3803 -.1296 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6548 -.2629 .1195 -.6616 65 VAL 65 -1.2071 999.9900 .8662 999.9900 .7810 .1467 .6551 .1183 .3420 .2427 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5944 .4647 .5223 -.2812 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6733 .1849 .3884 -.4565 68 GLU 68 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6790 .5273 .5905 -.1841 69 ASN 69 .9642 .4487 999.9900 999.9900 .7518 .7216 .6770 .3828 .5054 .6449 70 PHE 70 .8041 -2.6964 999.9900 999.9900 .7573 -.3783 .6747 .1155 .3485 -.0690 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6618 .1186 .3449 .2932 72 LYS 72 .6780 -.5910 999.9900 -.4035 .7460 .0052 .6785 .1562 .3738 .1230 73 ASP 73 1.3227 -2.0928 999.9900 999.9900 .8104 .0134 .6750 .3768 .5010 .2184 74 ASN 74 .2400 -.4258 999.9900 999.9900 .7518 .1887 .6778 .3826 .5056 .3253 75 ASN 75 -2.1824 -1.0148 999.9900 999.9900 .7518 -.8151 .6773 .3761 .5016 -.2784 76 LEU 76 -1.1512 -2.5464 999.9900 999.9900 .9565 -.9137 .6744 .1568 .3725 -.3820 77 GLU 77 -1.3743 -2.8418 999.9900 1.1588 .6899 -.5919 .6755 .5281 .5895 -.1940 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6724 .3742 .4984 -.6790 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5784 .4694 .5179 -.2840 80 LYS 80 -.5681 -.3555 999.9900 -.4035 .7460 -.1969 .6826 .1464 .3698 -.0222 81 TYR 81 -.0710 -.6967 999.9900 999.9900 .5630 -.0682 .6775 -.1690 .1837 .0608 82 LEU 82 -.5178 -2.7185 999.9900 999.9900 .9565 -.7599 .6747 .1674 .3788 -.2875 83 GLN 83 -.1966 .6219 999.9900 1.3059 .5113 .5606 .6720 .5236 .5854 .5730 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6797 .1062 .3452 -.6013 85 ILE 85 .4877 -.6653 999.9900 999.9900 .6034 .1419 .6651 .0533 .3082 .2288 86 TYR 86 .4043 -1.3592 999.9900 999.9900 .5630 -.1307 .6762 -.2000 .1651 .0168 87 ASP 87 -1.7533 -.5326 999.9900 999.9900 .8104 -.4918 .6739 .3797 .5023 -.0844 88 ARG 88 -1.7561 -1.6149 999.9900 .1593 .8581 -.4388 .6747 .5079 .5774 -.1445 89 ASP 89 -3.3417 -1.0260 999.9900 999.9900 .8104 -1.1858 .6732 .3790 .5016 -.5010 90 ARG 90 -1.6758 -2.8571 999.9900 .1593 .8581 -.6712 .6858 .5255 .5923 -.3064 91 THR 91 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6531 -.2718 .1135 .0568 92 PHE 92 -.0244 -.6308 999.9900 999.9900 .7573 .0340 .6796 .0947 .3384 .1753 93 TYR 93 .3730 .1342 999.9900 999.9900 .5630 .3567 .6727 -.1871 .1712 .3111 94 VAL 94 -.5494 999.9900 .3968 999.9900 .7810 .2095 .6588 .1342 .3528 .2843 95 ILE 95 -.6113 .5691 999.9900 999.9900 .6034 .1871 .6641 .0408 .3005 .2532 96 ILE 96 .3543 -.7023 999.9900 999.9900 .6034 .0851 .6621 .0392 .2988 .1913 97 TYR 97 .6005 -.3337 999.9900 999.9900 .5630 .2766 .6759 -.1758 .1791 .2660 98 GLY 98 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .5696 .4746 .5168 .2964 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6768 .3201 .4687 -.9062 100 ASN 100 -.1102 -1.0869 999.9900 999.9900 .7518 -.1484 .6746 .3733 .4988 .1205 101 MET 101 -2.6662 -.2378 999.9900 .9587 .5203 -.3563 .6748 .5099 .5786 -.0401 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6757 .2381 .4257 .3478 Means: -.6681 -1.6341 -.3669 .1440 .7095 -.3331 .6514 .2110 .3953 -.0391 2.00 analyzed_7