1 MET 1 999.9900 .8373 999.9900 .9587 .5203 .7721 .3270 .5262 .4357 .6339 2 ALA 2 -1.7824 999.9900 999.9900 999.9900 .4419 -.6702 .4381 .4092 .4213 -.1233 3 ASP 3 -3.3417 -.3515 999.9900 999.9900 .8336 -.9532 .3419 .3067 .3214 -.4422 4 THR 4 -.3004 999.9900 -.8810 999.9900 .2932 -.2961 .2452 .4985 .3929 -.0289 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 .7039 -.7268 -1.3923 .1113 -.5570 -.6837 6 GLU 6 -2.1524 -.9977 999.9900 -1.0323 -.1261 -1.0772 -.2769 .3863 .1100 -.6999 7 VAL 7 .0764 999.9900 -.2457 999.9900 -.1376 -.1023 -.2255 .4115 .1461 -.0242 8 GLN 8 -.6665 -.7946 999.9900 1.3059 -.2736 -.1072 -1.2520 .5309 -.2119 -.1917 9 PHE 9 .1414 -.1460 999.9900 999.9900 -.0075 -.0040 -.4596 .3387 .0061 -.0266 10 MET 10 -.2922 -2.5481 999.9900 1.7963 .5203 -.1309 .1231 .6506 .4308 .0417 11 LYS 11 -.6340 1.2989 999.9900 .9443 -2.0338 .1039 .5057 .2006 .3277 .1751 12 PRO 12 -1.9661 999.9900 999.9900 999.9900 -.5244 -1.2453 -.5684 .3625 -.0254 -.6741 13 PHE 13 .0966 -.0709 999.9900 999.9900 .0736 .0331 .3894 .6601 .5473 .2298 14 ILE 14 -.4647 .6122 999.9900 999.9900 -1.0155 -.2893 -.0277 .1867 .0973 -.1418 15 SER 15 .8349 999.9900 -.7153 999.9900 -.1244 -.0016 .3300 .6607 .5229 .1972 16 GLU 16 1.0761 .7809 999.9900 .3501 -.1261 .5202 .5712 .5509 .5594 .5338 17 LYS 17 -.9253 .0208 999.9900 .3240 .6805 .0848 -.0753 .4157 .2111 .1092 18 SER 18 -.8144 999.9900 -.0289 999.9900 -2.5979 -1.1470 .0083 .3113 .1851 -.6243 19 SER 19 .6980 999.9900 -.7153 999.9900 .4364 .1397 .5124 .2152 .3390 .2293 20 LYS 20 -2.5748 .1550 999.9900 1.4618 -2.6618 -.4316 .3406 .6273 .5078 -.1700 21 SER 21 -.0420 999.9900 -.7153 999.9900 .2374 -.1733 .3848 .2450 .3033 .0220 22 LEU 22 -.4552 .5563 999.9900 999.9900 .0933 .0648 .3465 .6012 .4951 .2284 23 GLU 23 -.5578 .8793 999.9900 .3501 .2865 .2395 .3403 .4831 .4236 .2969 24 ILE 24 -.1408 -2.2551 999.9900 999.9900 .3195 -.6921 -.1839 .3465 .1255 -.3828 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .7618 .2661 .3107 .3484 .3327 .2978 26 LEU 26 1.1349 -1.4036 999.9900 999.9900 .7949 .1754 .1767 .3718 .2905 .2149 27 GLY 27 1.2494 999.9900 999.9900 999.9900 .8016 1.0255 .6216 .6422 .6331 .8287 28 PHE 28 .6090 .5902 999.9900 999.9900 .0736 .4243 .5468 .5885 .5711 .4816 29 ASN 29 1.1272 .2165 999.9900 999.9900 .6279 .6572 .3125 .5759 .4662 .5720 30 GLU 30 -.2702 .7809 999.9900 .3501 1.0761 .4842 .3570 .4105 .3882 .4507 31 TYR 31 .3338 .5582 999.9900 999.9900 .6984 .5302 .4825 .5853 .5425 .5317 32 PHE 32 -1.2101 -.0709 999.9900 999.9900 -.7419 -.6743 .2136 .2857 .2557 -.3047 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -1.6867 -1.2052 -2.3612 .0422 -.9592 -1.1823 34 ALA 34 -1.0797 999.9900 999.9900 999.9900 -2.5165 -1.7981 -.1631 .5296 .2410 -.8074 35 PRO 35 .6201 999.9900 999.9900 999.9900 -1.0436 -.2118 .0523 .0612 .0575 -.0775 36 PHE 36 -.8715 .1164 999.9900 999.9900 .5495 -.0685 -.2882 .4167 .1230 -.0154 37 PRO 37 .4197 999.9900 999.9900 999.9900 .1827 .3012 -.6481 .4629 .0000 .1043 38 ILE 38 -2.0621 -.0177 999.9900 999.9900 .4912 -.5296 -.3913 .3585 .0461 -.3243 39 THR 39 .3976 999.9900 -.8810 999.9900 -.5087 -.3307 -.4376 .6497 .1967 -.1560 40 VAL 40 -.0523 999.9900 -.2457 999.9900 -1.1891 -.4957 -1.3111 -.3093 -.7267 -.6215 41 ASP 41 -1.2415 -.4551 999.9900 999.9900 .5733 -.3744 -.1088 .3312 .1478 -.1802 42 LEU 42 .0986 .8730 999.9900 999.9900 -.1723 .2664 -.7722 .4130 -.0808 .0880 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -.8739 -.9448 -1.5959 .1861 -.5564 -.8489 44 ASP 44 -.5526 -3.7306 999.9900 999.9900 .2216 -1.3539 -.1347 .3707 .1601 -.7651 45 TYR 45 -.8045 -.4266 999.9900 999.9900 -.0463 -.4258 .4296 .1978 .2944 -.1300 46 SER 46 -1.2119 999.9900 -.0289 999.9900 .3088 -.3107 .4103 .4216 .4169 -.0200 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7185 -1.3839 .4479 .5566 .5083 -.4409 48 ARG 48 -.5733 .1897 999.9900 .5548 .4407 .2333 .1970 .6222 .4450 .2837 49 SER 49 -.2454 999.9900 1.0592 999.9900 .5740 .4626 -.1108 .6277 .3200 .3809 50 TRP 50 -.8485 -1.0414 999.9900 999.9900 .5918 -.4327 -.0473 .6463 .3573 -.1398 51 THR 51 -.2319 999.9900 -.2947 999.9900 -2.0584 -.8617 -.0931 .4204 .2064 -.4515 52 VAL 52 -.0582 999.9900 .1416 999.9900 .2505 .1113 .1961 .5534 .4045 .2167 53 ARG 53 -.5160 1.1699 999.9900 .1593 .7064 .3358 .5101 .5694 .5447 .3940 54 MET 54 -.6343 .5072 999.9900 .9587 .0476 .2198 .4440 .4195 .4297 .2904 55 LYS 55 -.4760 -1.8181 999.9900 .1140 -.0430 -.4218 .3086 .4854 .4117 -.1879 56 LYS 56 -.3414 .7798 999.9900 .7184 .1791 .4109 -.7356 -.0136 -.3144 .1865 57 ARG 57 -1.4318 -.1448 999.9900 .9503 -.0022 .0644 -.2105 .4026 .1472 .0734 58 GLY 58 -2.2927 999.9900 999.9900 999.9900 -.4997 -1.3962 -.6190 .4965 .0007 -.7287 59 GLU 59 -1.0629 1.0525 999.9900 -1.0323 -2.5035 -.8866 .0567 .4010 .2576 -.5148 60 LYS 60 -.6340 1.1488 999.9900 .3240 -2.6618 -.2998 .0512 .2961 .1941 -.1645 61 VAL 61 -.1817 999.9900 .5873 999.9900 -1.1891 -.2612 -1.4119 .1072 -.5258 -.4176 62 PHE 62 -.2058 .4845 999.9900 999.9900 .4513 .2433 -1.2744 .3242 -.3419 -.0440 63 LEU 63 -.1775 -2.0611 999.9900 999.9900 -1.3910 -1.2099 -.4311 -.0145 -.1881 -.8150 64 THR 64 -4.2065 999.9900 .4804 999.9900 -.3332 -1.3531 -.9178 .4951 -.0936 -.8964 65 VAL 65 -.7345 999.9900 -.5532 999.9900 .3827 -.3016 .5303 .1725 .3216 -.0404 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 .4883 -.4484 -.4209 .6448 .1712 -.1682 67 TRP 67 .2222 .5502 999.9900 999.9900 -.9146 -.0474 -.0302 .5072 .2833 .0670 68 GLU 68 .3258 -.1645 999.9900 .3501 .3223 .2084 .4393 .4522 .4468 .2875 69 ASN 69 1.0488 -1.5725 999.9900 999.9900 .4442 -.0265 -.8016 .3259 -.1439 -.1111 70 PHE 70 .6259 .6387 999.9900 999.9900 -2.2412 -.3255 .2683 .4298 .3625 -.0557 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .6025 .1690 .0330 .5435 .3308 .2167 72 LYS 72 .8536 -.1035 999.9900 1.3036 -1.2036 .4307 .2598 .1731 .2092 .3695 73 ASP 73 .9921 -.2599 999.9900 999.9900 -.1266 .2019 .2493 .3285 .2955 .2367 74 ASN 74 -.1320 .2165 999.9900 999.9900 -.1777 -.0311 .5396 .2813 .3889 .1455 75 ASN 75 -2.5793 -1.5725 999.9900 999.9900 .8607 -1.0970 .3719 .1436 .2388 -.5551 76 LEU 76 -.8682 -3.3760 999.9900 999.9900 .3346 -1.3032 -.0739 .4926 .2565 -.6982 77 GLU 77 -1.3743 .7809 999.9900 -1.0323 -.3984 -.5060 .2929 .4738 .3984 -.2096 78 ASP 78 -.9954 -2.4630 999.9900 999.9900 -.2530 -1.2371 .0058 .5714 .3358 -.6268 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .0656 -.9392 .3607 .5966 .4918 -.2303 80 LYS 80 -.3414 -1.9682 999.9900 1.1899 -.5755 -.1011 .2621 .5680 .4405 .0464 81 TYR 81 .6244 .8258 999.9900 999.9900 -.1498 .4335 -.5306 .6128 .1364 .2765 82 LEU 82 -.0977 -1.4996 999.9900 999.9900 .7348 -.2875 -.5991 .4938 .0384 -.1936 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 -1.6155 -.8011 -.3749 -.4299 -.4070 -.6682 84 PHE 84 -.2255 .3647 999.9900 999.9900 .7193 .2862 .2697 .6011 .4630 .3459 85 ILE 85 -.0022 .6227 999.9900 999.9900 -.5989 .0072 -.0833 .6741 .3585 .1225 86 TYR 86 -.0287 .5130 999.9900 999.9900 .6556 .3800 .0395 .4230 .2632 .3205 87 ASP 87 -2.8635 -1.1062 999.9900 999.9900 -1.5875 -1.8524 .5944 .3608 .4581 -.9204 88 ARG 88 -2.9267 -.7463 999.9900 .7862 .0662 -.4069 .2974 .1341 .2021 -.2290 89 ASP 89 -1.8260 -.2599 999.9900 999.9900 .9215 -.3881 -2.0828 -.2789 -1.0305 -.7052 90 ARG 90 -2.0927 -2.8571 999.9900 .1593 .6379 -.7987 -.0521 .5160 .2793 -.5042 91 THR 91 .3447 999.9900 .0483 999.9900 .6112 .3347 -.2066 .5928 .2597 .2781 92 PHE 92 .0900 .5510 999.9900 999.9900 .2172 .2860 -.6055 .5597 .0742 .1625 93 TYR 93 -.2386 .3309 999.9900 999.9900 -.2672 -.0583 -.5727 .3937 -.0090 -.0708 94 VAL 94 .0482 999.9900 .1416 999.9900 -.3121 -.0408 -.0870 .6492 .3424 .0880 95 ILE 95 .1597 -.0177 999.9900 999.9900 .2717 .1379 -.1309 .5471 .2646 .1660 96 ILE 96 .2768 -3.0500 999.9900 999.9900 -.7199 -1.1644 -.3228 .4121 .1059 -.6808 97 TYR 97 -.6832 .8463 999.9900 999.9900 -.5629 -.1333 -.3067 .3172 .0573 -.0779 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -1.1231 -2.3047 -.0619 .0439 -.0031 -1.1569 99 HIS 99 -3.0884 -.5551 999.9900 999.9900 -1.0138 -1.5524 -.0922 .3500 .1657 -.8799 100 ASN 100 -.3194 -.3237 999.9900 999.9900 .0387 -.2015 .1307 .5421 .3707 .0137 101 MET 101 -.9774 -1.5870 999.9900 .9587 .5203 -.2713 .3377 .5325 .4513 -.0359 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4341 .5011 .4724 .3550 Means: -.6120 -.3842 -.1998 .6043 -.1730 -.2604 -.0886 .3968 .1936 -.1009 2.00 refined_6