1 ASP 1 999.9900 -.9304 999.9900 999.9900 .6587 -.1359 .5935 .4473 .5138 .1923 2 PRO 2 -2.9776 999.9900 999.9900 999.9900 .1187 -1.4294 .2375 .5815 .4382 -.5100 3 ASN 3 .6639 -.3237 999.9900 999.9900 .3127 .2176 .6228 .3813 .4819 .3314 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 -.2694 -1.8670 -.1682 -.6994 -.4781 -1.1504 5 GLU 5 -1.6894 1.1195 999.9900 -1.0323 .5390 -.2658 -6.1307 .2265 -2.4223 -1.1612 6 PHE 6 .1289 .8396 999.9900 999.9900 -.0075 .3203 -.2409 .4229 .1464 .2286 7 ASP 7 -.1512 -1.1646 999.9900 999.9900 .0868 -.4097 .5895 .3694 .4611 -.0540 8 PRO 8 -2.3980 999.9900 999.9900 999.9900 -.5244 -1.4612 -.0375 .4679 .2573 -.6230 9 ASP 9 -.9091 -.2599 999.9900 999.9900 .7118 -.1524 -.1193 .4597 .2184 -.0234 10 LEU 10 -.1596 -1.1684 999.9900 999.9900 .4504 -.2925 .4100 .5292 .4795 .0123 11 PRO 11 .6201 999.9900 999.9900 999.9900 .6188 .6195 .4431 .4849 .4675 .5417 12 GLY 12 .6407 999.9900 999.9900 999.9900 .5943 .6175 .4746 .6180 .5543 .5819 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.0291 .3939 .5924 .6137 .6042 .4985 14 GLY 14 1.1448 999.9900 999.9900 999.9900 -.0631 .5409 .5555 .6809 .6252 .5795 15 LEU 15 -.7803 .8847 999.9900 999.9900 -1.8015 -.5657 .2716 .5279 .4211 -.1795 16 HIS 16 -.6701 .1724 999.9900 999.9900 .5185 .0069 -.4765 .4706 .0760 .0030 17 ARG 17 -.3294 -2.8571 999.9900 .1593 -2.3710 -1.0478 -1.1191 .1700 -.3671 -.8840 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 -.0499 .0880 .0305 -.3144 19 LEU 19 .8475 .8730 999.9900 999.9900 .4227 .7144 .1433 .6654 .4478 .5904 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .4999 .1951 .6557 .6378 .6452 .4209 21 CYS 21 -.9252 999.9900 1.2918 999.9900 .0994 .1553 .4799 .3316 .3934 .2555 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.3130 -1.2612 .4902 .5041 .4983 -.3820 23 ARG 23 -.6502 .1897 999.9900 .1593 .7064 .1129 -.9190 .5060 -.0878 .0216 24 TYR 24 -.0390 .0668 999.9900 999.9900 -.4027 -.1250 -1.6822 .4790 -.4215 -.3156 25 PHE 25 .0629 .5589 999.9900 999.9900 -1.2178 -.1986 .3765 .5842 .4977 .0730 26 ILE 26 .4667 -.1544 999.9900 999.9900 .3195 .2106 .4697 .5339 .5071 .3271 27 ASP 27 -.6293 -.5059 999.9900 999.9900 .8104 -.1083 .5642 .5882 .5782 .1655 28 SER 28 1.0911 999.9900 -.7153 999.9900 .7781 .3846 .5132 .6026 .5654 .4540 29 THR 29 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .4409 .6000 .5337 .3690 30 ASN 30 1.0488 -.2921 999.9900 999.9900 -.5831 .0579 .3234 .6232 .4983 .2240 31 LEU 31 .9913 -3.3760 999.9900 999.9900 -.0308 -.8052 -1.1227 .1299 -.3920 -.6817 32 LYS 32 1.0429 .7568 999.9900 .4411 -.4892 .4386 .3011 .3817 .3481 .4108 33 THR 33 .8748 999.9900 .7650 999.9900 .2056 .6151 .0872 .4984 .3271 .4862 34 HIS 34 .9933 -2.4183 999.9900 999.9900 .3381 -.3623 .3066 .3392 .3256 -.0882 35 PHE 35 -.9688 -.7766 999.9900 999.9900 -2.2412 -1.3289 .3525 -.0869 .0962 -.7442 36 ARG 36 -.6641 -2.3766 999.9900 .1593 -.0761 -.5596 .2311 .3500 .3005 -.3167 37 SER 37 -2.2020 999.9900 -.7153 999.9900 -.7427 -1.2200 -.1385 -.0344 -.0778 -.7666 38 LYS 38 .6780 -1.9682 999.9900 .3546 -.3378 -.1838 -.0972 .2934 .1306 -.1032 39 ASP 39 .9343 -.5059 999.9900 999.9900 .7866 .4050 -.1807 .5982 .2736 .3265 40 HIS 40 1.3920 -.8163 999.9900 999.9900 -.1902 .1285 -1.7859 .5805 -.4055 -.1640 41 LYS 41 .6780 .6560 999.9900 .1731 -2.0338 -.0707 -.6129 .4664 .0167 -.0715 42 LYS 42 1.2214 .4325 999.9900 .1140 .6340 .5032 .4286 .6157 .5378 .5086 43 ARG 43 .8469 -1.1343 999.9900 .1593 .7064 .1475 .4650 .3725 .4110 .2250 44 LEU 44 .6296 .8730 999.9900 999.9900 .3346 .6124 .2928 .3392 .3198 .4938 45 LYS 45 1.2214 .8596 999.9900 .3240 .8457 .7150 .5790 .3960 .4722 .6500 46 GLN 46 -.0365 -.1712 999.9900 1.3059 .0346 .2832 .5370 .6515 .6038 .3869 47 LEU 47 -.2311 -1.4036 999.9900 999.9900 .5293 -.3685 .5953 .1690 .3466 -.0682 48 SER 48 .2494 999.9900 -.7153 999.9900 -.7427 -.4029 .3880 .4891 .4470 -.0663 49 VAL 49 -1.4030 999.9900 .3968 999.9900 -1.5772 -.8611 .5917 .6765 .6412 -.2630 50 GLU 50 .1885 .7809 999.9900 -1.0323 .2491 .0465 -.0943 -.4692 -.3130 -.0629 51 PRO 51 .1879 999.9900 999.9900 999.9900 .4949 .3414 .5761 .4402 .4968 .4248 52 TYR 52 -3.1208 .8463 999.9900 999.9900 .2769 -.6659 .0480 .1061 .0819 -.3687 53 SER 53 -2.3021 999.9900 1.2119 999.9900 -.6377 -.5760 .0473 .3699 .2355 -.2621 54 GLN 54 -3.1236 .6267 999.9900 1.3059 -.5521 -.4358 .4349 -.0427 .1563 -.2252 55 GLU 55 -3.2255 1.2631 999.9900 -1.0323 .3223 -.6681 .1239 -1.5975 -.8803 -.6910 56 GLU 56 .0765 .4305 999.9900 -1.0323 -.3984 -.2309 .0898 .5807 .3762 -.0422 57 ALA 57 -1.9174 999.9900 999.9900 999.9900 .1657 -.8759 .1881 .5645 .4077 -.2498 58 GLU 58 -3.2255 .8793 999.9900 -1.0323 -1.5390 -1.2294 .5011 .3771 .4288 -.6732 59 ARG 59 -2.9267 .8164 999.9900 .5548 .0662 -.1869 -.1182 .2049 .0702 -.1211 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .8018 -1.3314 .2858 -.2130 -.0052 -.6475 61 ALA 61 -.6134 999.9900 999.9900 999.9900 .8018 .0942 .5395 .6827 .6231 .3526 62 GLY 62 .6767 999.9900 999.9900 999.9900 .0951 .3859 .5207 .5975 .5633 .4725 63 MET 63 -.2651 .8879 999.9900 .9587 .6113 .5482 .1202 .6504 .4295 .4939 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .5943 -1.4461 -.1152 .6280 .2977 -.5948 65 SER 65 -2.7213 999.9900 -.0289 999.9900 -.0193 -.9231 .0576 .6056 .3773 -.4212 66 TYR 66 -.1748 -.4770 999.9900 999.9900 .6556 .0013 -.0722 .5351 .2821 .0933 67 VAL 67 999.9900 999.9900 .3968 999.9900 999.9900 .3968 .4698 .5770 .5311 .4812 Means: -.4996 -.2016 .1033 .1288 -.0413 -.1835 .0386 .3710 .2317 -.0298 2.00 refined_3