1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6732 .5113 .5849 .1192 2 GLY 2 -.8931 999.9900 999.9900 999.9900 .7883 -.0524 .5862 .4666 .5197 .2370 3 HIS 3 -3.0884 .8438 999.9900 999.9900 .6686 -.5253 .6838 .3219 .4727 -.1141 4 HIS 4 -.6280 .2086 999.9900 999.9900 .6686 .0831 .6739 .3275 .4718 .2501 5 HIS 5 -.6280 -3.1083 999.9900 999.9900 .6686 -1.0226 .6786 .3245 .4720 -.4129 6 HIS 6 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6841 .3175 .4702 -.6776 7 HIS 7 -2.5191 -2.4183 999.9900 999.9900 .6686 -1.4229 .6802 .3218 .4711 -.6534 8 HIS 8 -.9818 -2.4183 999.9900 999.9900 .6686 -.9105 .6760 .3262 .4720 -.3458 9 LEU 9 -2.4740 -2.7185 999.9900 999.9900 .9565 -1.4120 .6795 .1681 .3812 -.6777 10 GLU 10 -.9196 -1.9198 999.9900 -1.0323 .6899 -.7955 .6803 .5322 .5939 -.3282 11 MET 11 -1.0666 -1.3058 999.9900 .9587 .5203 -.2234 .6755 .5250 .5877 .0512 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6645 .3278 .4681 -.4316 13 SER 13 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6808 .5405 .5990 .1361 14 GLU 14 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6696 .5206 .5827 -.6394 15 GLU 15 -2.3953 -2.3808 999.9900 -1.0323 .6899 -1.2796 .6833 .5272 .5922 -.6513 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5721 .4675 .5140 .7202 17 GLN 17 -.3854 -2.6982 999.9900 2.7911 .5113 .0547 .6756 .5293 .5902 .2373 18 VAL 18 .0815 999.9900 .6672 999.9900 .7810 .5099 .6574 .1340 .3521 .4642 19 ILE 19 -.3198 .9074 999.9900 999.9900 .6034 .3970 .6597 .0459 .3017 .3793 20 ALA 20 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6650 .3289 .4689 .2265 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6693 .3293 .4710 .3035 22 HIS 22 -.9209 .4588 999.9900 999.9900 .6686 .0688 .6747 .3270 .4719 .2416 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6570 -.2514 .1271 -.1673 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6591 .1220 .3458 .1708 25 GLU 25 .8733 -1.1891 999.9900 -1.0323 .6899 -.1646 .6756 .5187 .5841 .0893 26 THR 26 .7717 999.9900 .4804 999.9900 .4476 .5666 .6661 -.2558 .1283 .4220 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6759 .1882 .3914 .2894 28 ASN 28 1.0488 -1.1653 999.9900 999.9900 .7518 .2118 .6784 .3817 .5053 .3391 29 GLU 29 .8604 -.8493 999.9900 -1.0323 .6899 -.0828 .6776 .5173 .5841 .1439 30 GLN 30 .7370 -2.2325 999.9900 1.3059 .5113 .0804 .6774 .5274 .5899 .2544 31 LEU 31 .9913 -1.3019 999.9900 999.9900 .9565 .2153 .6757 .1467 .3671 .2936 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6771 .5338 .5935 .1792 33 LYS 33 .8536 .3574 999.9900 .3546 .7460 .5333 .6782 .1533 .3720 .4997 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6683 .3219 .4662 .3944 35 ASN 35 .6990 -1.1653 999.9900 999.9900 .7518 .0952 .6741 .3800 .5026 .2679 36 GLU 36 .1449 -.0968 999.9900 .3501 .6899 .2720 .6808 .5304 .5931 .3832 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6756 .5318 .5917 .1597 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6838 .1537 .3746 -.2320 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6549 -.2757 .1120 -.0508 40 LEU 40 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6744 .1547 .3712 -.3585 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6534 .1242 .3447 .1113 42 VAL 42 .3894 999.9900 .1416 999.9900 .7810 .4373 .6562 .1224 .3448 .4181 43 VAL 43 -.3818 999.9900 .6672 999.9900 .7810 .3555 .6572 .1295 .3494 .3706 44 ASP 44 -.2609 -2.3194 999.9900 999.9900 .8104 -.5900 .6832 .3779 .5051 -.1418 45 PHE 45 -.2560 -.6459 999.9900 999.9900 .7573 -.0482 .6778 .0987 .3400 .1264 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6593 -.2546 .1262 -.0193 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6686 .3124 .4608 .2966 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6803 .5298 .5925 .3828 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6828 .1908 .3958 -.5777 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6786 .3202 .4696 -.1539 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3363 .4759 .4138 -.0107 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5332 -.3753 .0032 -.1266 53 CYS 53 -.1941 -1.0630 999.9900 .2382 .9108 -.0270 .6750 .3134 .4641 .1467 54 ARG 54 .6041 -.0787 999.9900 .6901 .8581 .5527 .6714 .5108 .5777 .5637 55 PHE 55 .1779 -.8310 999.9900 999.9900 .7573 .0347 .6760 .0988 .3393 .1758 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6520 .0369 .2932 -.6604 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4721 .3102 .3777 .4730 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5501 -.3654 .0161 -.1199 59 PHE 59 .4032 -1.8165 999.9900 999.9900 .7573 -.2187 .6773 .0909 .3352 .0224 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6762 .0971 .3384 .3418 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6626 .3217 .4638 .5949 62 ASP 62 1.0815 -.9768 999.9900 999.9900 .8104 .3050 .6758 .3715 .4983 .3925 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6799 .1539 .3730 .0157 64 ALA 64 .5799 999.9900 999.9900 999.9900 .7458 .6629 .6601 .3235 .4638 .5773 65 LYS 65 .8536 -1.3520 999.9900 .4996 .7460 .2494 .6783 .1518 .3712 .2967 66 LYS 66 -.0957 -.5490 999.9900 .9312 .7460 .3928 .6858 .1628 .3807 .4018 67 LEU 67 -2.0123 -1.3019 999.9900 999.9900 .9565 -.7859 .4783 .1643 .2951 -.3430 68 PRO 68 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5478 -.3433 .0279 -.9629 69 ASN 69 -3.4329 .1804 999.9900 999.9900 .7518 -.8335 .6774 .3785 .5030 -.2889 70 VAL 70 .0429 999.9900 .3968 999.9900 .7810 .4069 .6513 .1061 .3333 .3956 71 LEU 71 -.0792 -2.5464 999.9900 999.9900 .9565 -.5563 .6832 .1602 .3781 -.1651 72 PHE 72 .1161 -2.5581 999.9900 999.9900 .7573 -.5616 .6731 .0984 .3378 -.1826 73 LEU 73 -.5178 -3.3760 999.9900 999.9900 .9565 -.9791 .6790 .1507 .3708 -.4215 74 LYS 74 -.1867 -2.9005 999.9900 -.4035 .7460 -.6297 .6794 .1488 .3699 -.3314 75 VAL 75 .1158 999.9900 .6672 999.9900 .7810 .5213 .6548 .1245 .3454 .4687 76 ASP 76 -.0277 -2.6388 999.9900 999.9900 .8104 -.6187 .6784 .3880 .5090 -.1579 77 THR 77 -.1166 999.9900 .4804 999.9900 .4476 .2705 .6479 -.2439 .1277 .2431 78 ASP 78 .8349 -1.7735 999.9900 999.9900 .8104 -.0427 .6790 .3761 .5023 .1854 79 GLU 79 -2.8104 -1.7714 999.9900 -1.0323 .6899 -1.2310 .6819 .5233 .5894 -.6198 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6793 .1621 .3776 -.8310 81 LYS 81 .8536 -1.1755 999.9900 .4411 .7460 .2613 .6772 .1725 .3828 .3080 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6772 .5356 .5946 .4709 83 VAL 83 .3041 999.9900 .1416 999.9900 .7810 .4089 .6533 .1235 .3442 .4007 84 ALA 84 .1446 999.9900 999.9900 999.9900 .7458 .4452 .6633 .3051 .4543 .4647 85 SER 85 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6795 .5320 .5935 .4085 86 ASP 86 1.1285 -.4551 999.9900 999.9900 .8104 .4946 .6768 .3871 .5078 .5095 87 TRP 87 -1.3140 1.1473 999.9900 999.9900 .9378 .2570 .6746 .1900 .3919 .3272 88 ALA 88 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6734 .3276 .4717 -.0089 89 ILE 89 -2.7096 -.4959 999.9900 999.9900 .6034 -.8674 .6567 .0458 .3003 -.3799 90 GLN 90 -1.2769 -1.1512 999.9900 1.3059 .5113 -.1527 .6751 .5211 .5853 .0976 91 ALA 91 -1.2183 999.9900 999.9900 999.9900 .7458 -.2362 .6708 .3178 .4649 .1290 92 MET 92 -.8637 -.9517 999.9900 .9587 -1.9874 -.7110 .4842 .5157 .5025 -.3074 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5352 -.3899 -.0045 .2537 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6568 -.2682 .1172 .0885 95 PHE 95 .0058 -.8889 999.9900 999.9900 .7573 -.0419 .6843 .1055 .3467 .1328 96 MET 96 -.2520 -2.0676 999.9900 .9587 .5203 -.2101 .6791 .5194 .5860 .0597 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6797 .1023 .3429 -.6524 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6800 .1548 .3736 -.5472 99 LYS 99 -.1919 -.2831 999.9900 .1731 .7460 .1234 .6745 .1545 .3712 .2066 100 GLU 100 -1.4621 .5971 999.9900 1.1588 .6899 .2459 .6749 .5218 .5856 .3634 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5834 .4693 .5200 .7387 102 LYS 102 -.3350 -1.1755 999.9900 .2868 .7460 -.0382 .6768 .1442 .3661 .0900 103 ILE 103 -1.3252 .5468 999.9900 999.9900 .6034 -.0583 .6516 .0324 .2904 .1018 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6817 .1605 .3777 -.2683 105 ASP 105 -.8696 -3.7306 999.9900 999.9900 .8104 -1.2633 .6727 .3731 .4979 -.5488 106 LYS 106 -.6340 -2.4344 999.9900 .1140 .7460 -.4189 .6769 .1538 .3717 -.1805 107 VAL 107 -.3161 999.9900 .4980 999.9900 .7810 .3210 .6592 .1269 .3487 .3498 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6583 .1281 .3490 .0195 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5858 .4847 .5296 .3613 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6643 .3133 .4596 .0684 111 LYS 111 -.9887 -1.2293 999.9900 -.4035 .7460 -.4558 .6727 .1575 .3721 -.2070 112 LYS 112 .8536 -1.8181 999.9900 -.4035 .7460 -.2051 .6815 .1531 .3733 -.0273 113 ASP 113 .9921 -1.0518 999.9900 999.9900 .8104 .2502 .6749 .3844 .5054 .3620 114 GLU 114 .8171 -.6748 999.9900 -1.0323 .6899 -.0500 .6802 .5159 .5844 .1660 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6753 .1437 .3652 -.1415 116 GLN 116 .1632 -1.2219 999.9900 1.3059 .5113 .1896 .6811 .5245 .5898 .3273 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6754 .5380 .5952 .4067 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6592 -.2658 .1196 .1463 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6611 .0535 .3066 .4847 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6690 .3258 .4688 .5692 121 LYS 121 1.0429 -2.4344 999.9900 .3240 .7460 .0005 .6716 .1509 .3678 .1179 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6729 .3266 .4709 .4921 123 LEU 123 -.4979 -3.3760 999.9900 999.9900 .9565 -.9725 .6769 .1492 .3691 -.4183 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6525 .2598 .4281 .4562 Means: -.3825 -1.4974 -.3193 .2393 .7026 -.1875 .6587 .2397 .4147 .0592 2.00 analyzed_9