1 GLU 1 999.9900 -.3402 999.9900 -1.0323 .2865 -.3620 .5528 .6112 .5847 .0156 2 ALA 2 -1.5214 999.9900 999.9900 999.9900 .3801 -.5706 -.2844 .6502 .2608 -.1939 3 GLU 3 -.4325 .8034 999.9900 1.7325 .3568 .6150 -.0742 .4870 .2532 .4788 4 VAL 4 -.7790 999.9900 .6672 999.9900 -.0858 -.0659 .3168 .4883 .4168 .1215 5 HIS 5 -.6701 .1724 999.9900 999.9900 -1.6368 -.7115 -.3424 .2362 -.0049 -.4481 6 ASN 6 -1.3289 .1037 999.9900 999.9900 .3127 -.3042 .2872 -.5621 -.2083 -.2375 7 GLN 7 -.8581 1.0195 999.9900 1.3059 .6133 .5201 -1.2911 .0558 -.5054 .1409 8 LEU 8 .0762 -3.3760 999.9900 999.9900 -.2242 -1.1747 -.0020 .1293 .0746 -.6793 9 GLU 9 -.4325 -.7281 999.9900 -1.0323 1.0761 -.2792 -1.2159 .0999 -.4483 -.3721 10 ILE 10 .3059 .6227 999.9900 999.9900 -.7199 .0696 -.9674 .5488 -.0830 -.0420 11 LYS 11 -.2345 .1550 999.9900 .1731 -.5755 -.0618 -.9541 .3218 -.2098 -.1344 12 PHE 12 .0490 .8396 999.9900 999.9900 -.4285 .1534 -.4182 .5366 .1387 .1157 13 ARG 13 -.4343 .8164 999.9900 .1593 -1.7309 -.2060 -.3765 .2378 -.0181 -.1670 14 LEU 14 -1.2495 .8730 999.9900 999.9900 .5293 .0509 .4106 .4353 .4250 .1997 15 THR 15 .1314 999.9900 -.2947 999.9900 .1092 -.0180 .5577 .4960 .5217 .1999 16 ASP 16 .1806 -.2224 999.9900 999.9900 -.7687 -.2702 .5008 .5424 .5251 .0465 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .4101 .7620 .3708 .5610 .4765 .6140 18 SER 18 -.5057 999.9900 -.0289 999.9900 -.8619 -.4655 .4223 .2227 .3059 -.1503 19 ASP 19 -.9954 -1.2961 999.9900 999.9900 .2628 -.6762 -.1517 .4355 .1908 -.3490 20 ILE 20 -.2252 .6227 999.9900 999.9900 .4089 .2688 .4348 .0621 .2174 .2607 21 GLY 21 -.5849 999.9900 999.9900 999.9900 .0351 -.2749 .6044 .4654 .5272 .1300 22 PRO 22 .6201 999.9900 999.9900 999.9900 .7618 .6910 -.1879 .2980 .0956 .3730 23 LYS 23 -.2345 .8596 999.9900 -.4035 .7460 .1128 -.1049 .1136 .0225 .0818 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .0817 -.3731 .2504 .6200 .4660 .0311 25 PHE 25 -.0017 -.0090 999.9900 999.9900 -.0075 -.0060 -.1395 -.1555 -.1488 -.0626 26 PRO 26 .5449 999.9900 999.9900 999.9900 -.4005 .0722 -.0598 .0503 .0044 .0337 27 ASP 27 1.1285 -1.1062 999.9900 999.9900 .5121 .1781 .5464 .1390 .3087 .2440 28 ALA 28 -.6749 999.9900 999.9900 999.9900 .6390 -.0180 .3483 .6427 .5200 .2388 29 THR 29 .0286 999.9900 .2916 999.9900 .3342 .2181 .4702 .3934 .4254 .3036 30 THR 30 -.1761 999.9900 -.2947 999.9900 .4826 .0039 .4734 .6019 .5484 .2174 31 VAL 31 -.2252 999.9900 .7395 999.9900 .1768 .2304 .5897 .6005 .5960 .3763 32 SER 32 .9076 999.9900 1.0592 999.9900 .7151 .8940 .3578 .6008 .4996 .7281 33 ALA 33 .2107 999.9900 999.9900 999.9900 -.6283 -.2088 .6446 .6528 .6494 .2199 34 LEU 34 .9913 .3419 999.9900 999.9900 .4227 .5853 .0713 .0606 .0651 .3776 35 LYS 35 .8536 .8596 999.9900 .1731 .8457 .5810 .1790 .6142 .4328 .5283 36 GLU 36 .6116 .6687 999.9900 -1.0323 .6899 .2345 .2953 .5639 .4520 .2995 37 THR 37 1.1372 999.9900 1.1473 999.9900 .2504 .8450 .2383 .6118 .4562 .6770 38 VAL 38 .3707 999.9900 -.2457 999.9900 .6025 .2425 .3169 .4577 .3990 .3004 39 ILE 39 1.0115 -.0414 999.9900 999.9900 -1.0155 -.0151 .0928 .5206 .3424 .1136 40 SER 40 .8760 999.9900 -.7153 999.9900 -.0193 .0471 .4270 .5512 .4994 .2239 41 GLU 41 -.4919 .6194 999.9900 .3501 .5923 .2675 .1477 .6389 .4342 .3094 42 TRP 42 -.2197 .2071 999.9900 999.9900 -1.6678 -.5601 .5199 .5318 .5269 -.1257 43 PRO 43 -1.9661 999.9900 999.9900 999.9900 -.5244 -1.2453 .0449 .6042 .3711 -.4604 44 ARG 44 .2784 .7037 999.9900 .1593 .8581 .4318 .4402 .6267 .5490 .4608 45 GLU 45 -.5936 1.1195 999.9900 -1.0323 .3223 -.0460 .5242 .6325 .5873 .1621 46 LYS 46 -.4682 -2.9005 999.9900 .2495 -1.0384 -.7816 .0549 .1828 .1295 -.5243 47 GLU 47 -3.2255 .3905 999.9900 -1.0323 .3899 -.8694 -1.5207 -.3360 -.8296 -.8890 48 ASN 48 -3.4329 -.2921 999.9900 999.9900 .4840 -1.0803 -.6930 -.9677 -.8533 -.9803 49 GLY 49 -2.4582 999.9900 999.9900 999.9900 -.3452 -1.4017 -.9442 .3780 -.2096 -.8424 50 PRO 50 .1879 999.9900 999.9900 999.9900 .2426 .2152 -.3373 .1597 -.0474 .0632 51 LYS 51 -3.5196 .4325 999.9900 .6506 .7872 -.1998 .0094 -.0129 -.0036 -.1432 52 THR 52 -.4045 999.9900 .2916 999.9900 .2056 .0309 .0567 .6071 .3778 .1513 53 VAL 53 1.0462 999.9900 .5873 999.9900 -.5257 .3693 .4366 .2869 .3493 .3663 54 LYS 54 .7090 1.1634 999.9900 .1731 -2.0338 .0369 .5797 .4051 .4778 .1671 55 GLU 55 -.4919 -1.0866 999.9900 -1.0323 -.1867 -.6994 .4538 .4101 .4283 -.3223 56 VAL 56 .3894 999.9900 .4980 999.9900 .0545 .3140 .4312 .6650 .5676 .4076 57 LYS 57 -.2512 -1.9682 999.9900 .6506 .8827 -.0071 .4623 .5169 .4942 .1348 58 LEU 58 -.0977 -1.8410 999.9900 999.9900 .7348 -.4013 .0114 .4833 .2867 -.1419 59 ILE 59 .1962 .6227 999.9900 999.9900 .3195 .3795 .2114 .5738 .4228 .3847 60 SER 60 -.4057 999.9900 -.7153 999.9900 .5215 -.1999 .3083 .4437 .3873 .0305 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 -.1879 -1.1986 .3200 .5197 .4365 -.3894 62 GLY 62 .7683 999.9900 999.9900 999.9900 .7185 .7434 .2797 .6676 .4952 .6085 63 LYS 63 -.1867 -.2178 999.9900 .1140 .6576 .0962 -.1465 .4673 .2115 .1146 64 VAL 64 -.4842 999.9900 .5873 999.9900 -.0858 .0058 .0250 .6179 .3708 .1320 65 LEU 65 -.7510 .5280 999.9900 999.9900 .5787 .1186 .0706 .6886 .4311 .2230 66 GLU 66 -.4497 1.1195 999.9900 -1.0323 -.1867 -.1373 .2049 .6341 .4553 .0483 67 ASN 67 .1528 -1.8756 999.9900 999.9900 .3587 -.4547 .5166 .5451 .5332 -.0605 68 SER 68 .1093 999.9900 -.0289 999.9900 .3088 .1297 .4135 .5612 .4997 .2728 69 LYS 69 -.8956 1.2989 999.9900 .3546 .6340 .3493 .0803 .5902 .3777 .3453 70 THR 70 -.6608 999.9900 .9776 999.9900 -.3332 -.0055 .1176 .5522 .3711 .1307 71 VAL 71 .7683 999.9900 .6672 999.9900 .2144 .5500 .4654 .6422 .5686 .5515 72 LYS 72 .7090 .7020 999.9900 .1140 -.1497 .2979 .5574 .5412 .5479 .3697 73 ASP 73 .6418 -.2224 999.9900 999.9900 .6856 .3683 .3966 .6491 .5439 .4301 74 TYR 74 -.4658 .8463 999.9900 999.9900 -.4027 -.0074 -.0899 .5875 .3053 .0951 75 ARG 75 -.5733 .3358 999.9900 .1593 -1.7309 -.3300 -.9351 .0744 -.3462 -.3586 76 SER 76 -.3484 999.9900 -.7153 999.9900 -1.9795 -1.0144 -.6312 -.1020 -.3225 -.7553 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 -.6674 -2.2758 -.4517 .2212 -.0592 -1.1956 78 VAL 78 -1.0844 999.9900 .8055 999.9900 .3827 .0346 -1.2245 .6032 -.1583 -.1035 79 SER 79 -2.0349 999.9900 1.0592 999.9900 -1.9795 -.9851 .1066 .3723 .2616 -.4953 80 ASN 80 -.5106 -.4258 999.9900 999.9900 .7518 -.0615 .5891 .4608 .5143 .1731 81 LEU 81 -1.7747 .8730 999.9900 999.9900 .7348 -.0557 -.7699 -.1150 -.3879 -.2104 82 ALA 82 -3.0686 999.9900 999.9900 999.9900 .8018 -1.1334 -1.0573 .4352 -.1867 -.7222 83 GLY 83 -2.2927 999.9900 999.9900 999.9900 -.2990 -1.2959 -.1520 .4663 .1915 -.5694 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .4419 -.3370 .3256 .6092 .4911 .0652 85 VAL 85 -.3682 999.9900 -1.0788 999.9900 -.1376 -.5282 -.5414 .4951 .0632 -.3262 86 THR 86 -.0475 999.9900 .8779 999.9900 .7246 .5183 -.0307 .3534 .1933 .3755 87 THR 87 .1734 999.9900 .2916 999.9900 -.3332 .0439 .0170 .6031 .3589 .1504 88 MET 88 -.2651 -1.7864 999.9900 .9587 .9122 -.0452 -.5059 .5017 .0819 -.0308 89 HIS 89 -.5132 .8055 999.9900 999.9900 -.6493 -.1190 -1.6264 .3521 -.4723 -.3263 90 VAL 90 -.0288 999.9900 .1416 999.9900 .6734 .2621 -2.8691 .4310 -.9440 -.3304 91 ILE 91 -.3198 -.3653 999.9900 999.9900 -2.1444 -.9432 -2.4505 .0956 -.9653 -1.0369 92 ILE 92 -.0918 -.0177 999.9900 999.9900 -.8571 -.3222 -2.1403 .6218 -.5291 -.4970 93 GLN 93 -.7185 1.0195 999.9900 1.3059 -.4029 .3010 -.4815 .3066 -.0217 .1715 94 ALA 94 -1.1448 999.9900 999.9900 999.9900 .6708 -.2370 .3882 .6501 .5410 .1411 95 PRO 95 .0321 999.9900 999.9900 999.9900 .8563 .4442 -.0290 .3659 .2014 .3063 96 VAL 96 -4.3409 999.9900 -1.0788 999.9900 .5258 -1.6313 -.1381 -.2911 -.2274 -1.0646 97 THR 97 -3.0201 999.9900 -.8810 999.9900 .3342 -1.1890 -.9580 -.0886 -.4508 -.9227 98 GLU 98 -1.4621 1.1195 999.9900 -1.0323 .0339 -.3352 .1563 .5450 .3831 -.1066 99 LYS 99 -.2075 -.0529 999.9900 .3546 -1.2036 -.1509 -.1305 .4484 .2072 -.0624 100 GLU 100 -1.9096 -.3559 999.9900 .3501 -1.2865 -.8005 .4533 .4235 .4359 -.3875 101 LYS 101 999.9900 .8596 999.9900 -.4035 999.9900 .0175 .2833 -1.2672 -.6027 -.1863 Means: -.5085 .0545 .1708 .0705 .0000 -.1219 -.0738 .3777 .1889 -.0174 2.00 refined_18