1 MET 1 999.9900 .5321 999.9900 .9587 .9122 .8010 .5206 .6652 .5995 .7177 2 ALA 2 -1.8806 999.9900 999.9900 999.9900 .6390 -.6208 .1099 .6524 .4263 -.1198 3 ASP 3 -.1859 -.9533 999.9900 999.9900 .5431 -.1987 -.0078 .5535 .3196 -.0101 4 THR 4 .9379 999.9900 -.8810 999.9900 .9813 .3461 -.3113 .4778 .1490 .2409 5 GLY 5 -1.4779 999.9900 999.9900 999.9900 .3016 -.5881 -1.3329 .5467 -.2887 -.4906 6 GLU 6 -.6897 -.9977 999.9900 -1.0323 .2865 -.6083 -.0604 .6094 .3303 -.3140 7 VAL 7 -.9687 999.9900 -1.0788 999.9900 -2.9040 -1.6505 -.8155 .4370 -.0849 -1.0660 8 GLN 8 -.3746 .4660 999.9900 1.3059 .1188 .3790 .1523 .4691 .3371 .3562 9 PHE 9 .1414 .8308 999.9900 999.9900 .6382 .5368 -.2481 .3457 .0983 .3416 10 MET 10 -.0824 -.2135 999.9900 2.2863 .6113 .6504 .4831 .5882 .5444 .6122 11 LYS 11 -.5771 .0381 999.9900 -.0397 -1.6664 -.4570 .4107 .5429 .4878 -.1902 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .2989 .0192 -.2286 .5416 .2207 .0878 13 PHE 13 -.6534 -.1118 999.9900 999.9900 .8956 .0435 .2909 .4820 .4024 .1806 14 ILE 14 -.2299 .6227 999.9900 999.9900 -2.1444 -.5839 -.2772 .3342 .0795 -.3389 15 SER 15 .8760 999.9900 -.7153 999.9900 .5740 .2449 .2250 .6476 .4715 .3214 16 GLU 16 .8733 .7809 999.9900 -1.0323 -.6780 -.0140 .3933 .6372 .5356 .1624 17 LYS 17 -2.0221 1.1634 999.9900 .4411 -2.0338 -.4020 -.2314 .5132 .2030 -.2469 18 SER 18 .4640 999.9900 -.7153 999.9900 .1597 -.0305 .2869 .6194 .4809 .1629 19 SER 19 .8651 999.9900 -.0289 999.9900 -.6377 .0662 .5367 .6395 .5967 .2750 20 LYS 20 -.9253 .1550 999.9900 .6506 .7669 .2595 .2679 .6063 .4653 .3103 21 SER 21 -.4229 999.9900 -.7153 999.9900 -.3810 -.5064 .2886 .0637 .1574 -.2334 22 LEU 22 -.2787 -1.8410 999.9900 999.9900 -.2242 -.7813 -.7578 -.2403 -.4559 -.6684 23 GLU 23 -.9070 -.3402 999.9900 -1.0323 .2865 -.4983 -.5069 .5925 .1344 -.3179 24 ILE 24 -.0022 -.0177 999.9900 999.9900 -.7199 -.2466 .3481 .4620 .4145 .0140 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .8563 .3133 .4728 .0635 .2340 .2907 26 LEU 26 .8786 .3261 999.9900 999.9900 .6926 .6324 .4078 -.0956 .1141 .4419 27 GLY 27 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .6207 .6672 .6465 .4157 28 PHE 28 -.0970 .5902 999.9900 999.9900 -.5721 -.0263 .6342 .4079 .5022 .1926 29 ASN 29 1.0488 -1.2512 999.9900 999.9900 .2129 .0035 .5633 .5170 .5363 .2182 30 GLU 30 .8733 .6046 999.9900 -1.0323 .7127 .2896 .5344 .5809 .5615 .3789 31 TYR 31 .3338 .7421 999.9900 999.9900 .4594 .5118 .0582 .2553 .1732 .3698 32 PHE 32 -3.6149 -.0709 999.9900 999.9900 -2.2412 -1.9756 -.1208 .1119 .0149 -1.1872 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.6674 -.6955 -1.1851 .3548 -.2868 -.5553 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.3426 -.8681 .3531 .4156 .3896 -.2419 35 PRO 35 .4049 999.9900 999.9900 999.9900 -.1935 .1057 .1046 .5278 .3515 .2110 36 PHE 36 -.8715 .1164 999.9900 999.9900 .3416 -.1378 -.4616 .3987 .0402 -.0953 37 PRO 37 -1.0936 999.9900 999.9900 999.9900 .8563 -.1187 -1.2722 .6371 -.1584 -.2181 38 ILE 38 -1.3252 -1.6252 999.9900 999.9900 .7362 -.7381 -.0693 .3731 .1888 -.3821 39 THR 39 .0643 999.9900 -.8810 999.9900 -.0562 -.2910 .4451 .5341 .4970 .0212 40 VAL 40 -.3909 999.9900 .6672 999.9900 .7810 .3524 -.1821 -.3852 -.3006 .0980 41 ASP 41 -1.0681 -.7868 999.9900 999.9900 -.1878 -.6809 .4273 .5334 .4892 -.2164 42 LEU 42 .0291 .8847 999.9900 999.9900 -.0758 .2793 -1.7995 .0945 -.6947 -.1734 43 LEU 43 -.4738 .8730 999.9900 999.9900 .1683 .1891 -1.9658 .5496 -.4985 -.1697 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 -.8877 -1.7584 -.5031 .3742 .0087 -1.0808 45 TYR 45 .3981 .2884 999.9900 999.9900 .6556 .4474 .1828 .4485 .3378 .3947 46 SER 46 -.5057 999.9900 -.0289 999.9900 .1994 -.1117 .2440 .4318 .3536 .0681 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .6270 -1.4297 .2527 .4105 .3404 -.5491 48 ARG 48 -.5733 .1897 999.9900 1.3169 .7064 .5913 .4704 .6365 .5673 .5805 49 SER 49 .1980 999.9900 -.7153 999.9900 .7576 .0801 .6335 .6634 .6509 .3074 50 TRP 50 -.6038 -.0877 999.9900 999.9900 .4467 -.0816 -.4742 .2647 -.0432 -.0909 51 THR 51 .4171 999.9900 .2916 999.9900 -1.6680 -.3198 .4596 .3974 .4233 -.0205 52 VAL 52 -.0582 999.9900 -.2457 999.9900 -.3121 -.2053 -.5720 .6172 .1217 -.1142 53 ARG 53 -.4063 1.0858 999.9900 .1593 -.0022 .1992 .0490 .5879 .3634 .2333 54 MET 54 -.3503 .5321 999.9900 .9587 -.1136 .2567 -.4113 .5553 .1526 .1952 55 LYS 55 -.1765 -2.1617 999.9900 .5131 -2.0338 -.6691 -.3596 .3180 .0356 -.4839 56 LYS 56 -.4232 .2033 999.9900 .1731 -1.0384 -.1824 -3.1033 -.1719 -1.3933 -.5982 57 ARG 57 -1.5415 .8024 999.9900 1.2696 .2455 .4091 .0818 .6324 .4030 .3943 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .3016 -1.1850 -.3205 .6733 .2316 -.5043 59 GLU 59 -.7734 -.2011 999.9900 .3501 -1.0906 -.4288 .3574 .6230 .5123 -.1224 60 LYS 60 -.3038 -.0529 999.9900 .7496 .7872 .3859 .4881 .6079 .5580 .4323 61 VAL 61 .0429 999.9900 .7395 999.9900 .1768 .3198 .3345 .6644 .5269 .3916 62 PHE 62 -.1316 .8160 999.9900 999.9900 -2.2412 -.5189 .1735 .4944 .3607 -.1778 63 LEU 63 -.7094 .8730 999.9900 999.9900 -2.5031 -.7798 -.7856 .0450 -.3011 -.6160 64 THR 64 -4.2065 999.9900 .0483 999.9900 .2504 -1.3026 -.7551 .3855 -.0897 -.8555 65 VAL 65 -.6396 999.9900 -1.0788 999.9900 -1.3636 -1.0273 .1438 .3471 .2624 -.5182 66 GLY 66 -1.1938 999.9900 999.9900 999.9900 -1.5458 -1.3698 -.1064 .2248 .0776 -.6553 67 TRP 67 .4280 .5502 999.9900 999.9900 1.0323 .6702 .0401 .4726 .2924 .5047 68 GLU 68 .3258 -2.8418 999.9900 -1.0323 -1.8950 -1.3608 -.2611 -1.5800 -1.0304 -1.2141 69 ASN 69 1.3908 -.1488 999.9900 999.9900 .1006 .4475 -1.1662 .3954 -.2552 .1144 70 PHE 70 .6586 -.6308 999.9900 999.9900 -1.2178 -.3967 .3657 .0902 .2050 -.1468 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .4426 .1367 -.1220 .6397 .3223 .1856 72 LYS 72 .8536 .2165 999.9900 .5368 -1.0384 .2211 .6601 .2891 .4437 .2935 73 ASP 73 .9921 -.2599 999.9900 999.9900 .8104 .5142 .2537 .2908 .2753 .4174 74 ASN 74 -.1320 -.8278 999.9900 999.9900 .1585 -.2671 .6706 .3646 .4921 .0468 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .6279 -1.2733 .2705 -.3168 -.0721 -.7732 76 LEU 76 -.3075 .8730 999.9900 999.9900 .7139 .4265 .1777 .6676 .4635 .4249 77 GLU 77 -1.1499 .7809 999.9900 -1.0323 -1.0906 -.6230 .0318 .1727 .1140 -.3812 78 ASP 78 -.2149 -1.0518 999.9900 999.9900 .1337 -.3777 -.5060 .3347 -.0156 -.2609 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.2133 -.7579 -.0379 .6383 .3378 -.2289 80 LYS 80 -.7292 1.1488 999.9900 1.2407 -.6710 .4460 .1390 .5085 .3546 .4111 81 TYR 81 .5758 .8258 999.9900 999.9900 .1301 .5106 -1.0175 .5429 -.1072 .2114 82 LEU 82 -.6392 -2.1315 999.9900 999.9900 .7139 -.6856 -1.7339 .1814 -.6166 -.7219 83 GLN 83 -.1966 .6315 999.9900 1.3059 -1.6155 .0313 -.6687 .3427 -.0787 -.0335 84 PHE 84 -.2457 .7639 999.9900 999.9900 .2172 .2451 -.0866 .1996 .0804 .1697 85 ILE 85 .4877 -3.0500 999.9900 999.9900 -.0740 -.8788 -.4523 .5774 .1483 -.5022 86 TYR 86 -.0287 .2264 999.9900 999.9900 .1301 .1093 -.0452 .5079 .2774 .1581 87 ASP 87 -3.3417 -.5059 999.9900 999.9900 .6310 -1.0722 .2933 .4668 .3945 -.4913 88 ARG 88 -2.9267 -1.1343 999.9900 .1593 -2.3710 -1.2227 .5093 .0847 .2616 -.7885 89 ASP 89 -2.3854 -2.8653 999.9900 999.9900 -.2530 -1.8346 -.4785 -.0115 -.2061 -1.1987 90 ARG 90 -.7709 .7238 999.9900 .1593 -.3418 -.0141 .2112 .3874 .3140 .0755 91 THR 91 .1314 999.9900 -.8810 999.9900 -1.0006 -.5834 -.4570 .3492 .0133 -.3716 92 PHE 92 .1161 .4802 999.9900 999.9900 -.0075 .1963 -.6472 .3188 -.0837 .0521 93 TYR 93 .0406 .4149 999.9900 999.9900 .2066 .2207 -.2625 .5079 .1869 .1815 94 VAL 94 .3116 999.9900 -1.0788 999.9900 -.2503 -.3392 .4060 .5450 .4871 -.0133 95 ILE 95 .3543 .6227 999.9900 999.9900 .4912 .4894 .3067 .5685 .4594 .4687 96 ILE 96 .0813 .4983 999.9900 999.9900 .4509 .3435 .1555 .5760 .4008 .3524 97 TYR 97 -.5773 .8258 999.9900 999.9900 .2769 .1751 .4407 .4692 .4573 .2871 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .3466 -1.3129 .5715 .3750 .4624 -.4198 99 HIS 99 -2.5191 1.0771 999.9900 999.9900 .5967 -.2818 -.1934 .2320 .0548 -.1613 100 ASN 100 -1.0675 .1037 999.9900 999.9900 -1.3432 -.7690 -.3402 .5695 .1905 -.4155 101 MET 101 -1.5488 .5321 999.9900 1.7963 .4206 .3001 -.5961 .3859 -.0233 .1650 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .0746 .3097 .2090 .1713 Means: -.5189 -.0883 -.4340 .4469 -.1634 -.1991 -.0985 .3900 .1855 -.0662 2.00 refined_17