1 ASP 1 999.9900 -1.5469 999.9900 999.9900 .2628 -.6421 .5369 .4694 .5001 -.0694 2 PRO 2 -1.7556 999.9900 999.9900 999.9900 -.1935 -.9746 .4023 .5958 .5152 -.2378 3 ASN 3 .1052 .3778 999.9900 999.9900 .5588 .3473 .5495 .5334 .5401 .4249 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .3801 -1.5422 -.0090 -.6723 -.3959 -.9415 5 GLU 5 -2.3953 -2.8418 999.9900 -1.0323 1.0761 -1.2983 -.9387 -1.1388 -1.0555 -1.2118 6 PHE 6 -1.9971 .7639 999.9900 999.9900 -.3041 -.5124 -.0517 .5969 .3266 -.1984 7 ASP 7 -.9091 -1.1062 999.9900 999.9900 .2216 -.5979 .2398 .0383 .1222 -.3031 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .5793 .2148 .5640 .5694 .5671 .3908 9 ASP 9 .3915 -.5059 999.9900 999.9900 .5431 .1429 .1953 .5737 .4160 .2395 10 LEU 10 -.2787 -1.6805 999.9900 999.9900 .9565 -.3342 .0724 .3690 .2454 -.1122 11 PRO 11 .3725 999.9900 999.9900 999.9900 .1187 .2456 .4994 .4083 .4463 .3497 12 GLY 12 .8874 999.9900 999.9900 999.9900 .7185 .8030 .2058 .4682 .3516 .5700 13 GLY 13 .9290 999.9900 999.9900 999.9900 -.1350 .3970 .2835 .4819 .3937 .3898 14 GLY 14 .6686 999.9900 999.9900 999.9900 .4303 .5494 .4127 .6271 .5318 .5347 15 LEU 15 .0401 .8710 999.9900 999.9900 -.9806 -.0232 -.3834 .4331 .0929 -.0040 16 HIS 16 -1.4902 .9673 999.9900 999.9900 .4328 -.0300 -.9663 .1110 -.3379 -.1891 17 ARG 17 -1.3837 -1.8960 999.9900 .1593 .1299 -.5662 -.6257 .4094 -.0219 -.4353 18 CYS 18 -.0684 999.9900 .1296 999.9900 .8268 .2960 .2078 .4364 .3411 .3065 19 LEU 19 1.1349 .5315 999.9900 999.9900 .7949 .8204 .1819 .5574 .4010 .6401 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .6550 .2727 .6601 .6071 .6292 .4531 21 CYS 21 -.8048 999.9900 .1296 999.9900 1.0610 .1286 .4029 .2868 .3351 .2151 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .6550 -.5351 .4151 .4914 .4596 -.0409 23 ARG 23 -.5614 .3075 999.9900 1.2696 -.0761 .4418 -.5370 .4988 .0672 .3101 24 TYR 24 .0686 .8463 999.9900 999.9900 -.2672 .2159 -2.2006 .3431 -.7168 -.2420 25 PHE 25 .1161 .5589 999.9900 999.9900 -.0075 .2225 -.0742 .5405 .2844 .2268 26 ILE 26 -.0495 .6227 999.9900 999.9900 .0546 .2093 .1540 .4856 .3475 .2535 27 ASP 27 -.8323 -.5059 999.9900 999.9900 .5431 -.2650 .3815 .4160 .4016 .0005 28 SER 28 .8760 999.9900 1.0592 999.9900 .3088 .7480 .6280 .5135 .5612 .6771 29 THR 29 1.1372 999.9900 .2916 999.9900 .6695 .6995 .4789 .5778 .5366 .6310 30 ASN 30 1.1272 -.3564 999.9900 999.9900 .5940 .4549 .1165 .4270 .2976 .3817 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .8331 -.3789 -.3107 .2037 -.0106 -.2488 32 LYS 32 1.2214 .7568 999.9900 -.4035 -.3378 .1667 .4462 .4176 .4295 .2425 33 THR 33 .8748 999.9900 .6346 999.9900 .3342 .6145 .4845 .5340 .5134 .5724 34 HIS 34 .9933 -.2881 999.9900 999.9900 .4328 .3793 .2041 .2964 .2579 .3277 35 PHE 35 -.3437 -.7766 999.9900 999.9900 1.0159 -.0348 .5439 -.5779 -.1105 -.0277 36 ARG 36 -.0882 .1897 999.9900 .1593 -2.3710 -.3902 .5112 .2443 .3555 -.1708 37 SER 37 -2.3021 999.9900 -.7153 999.9900 -.6377 -1.2184 -.1335 .4236 .1915 -.6730 38 LYS 38 .7090 -.0529 999.9900 .3546 .8457 .4422 .6498 .4767 .5488 .4768 39 ASP 39 1.1359 -.2599 999.9900 999.9900 .1786 .3515 .2530 .5292 .4141 .3673 40 HIS 40 .0007 -.9211 999.9900 999.9900 -.1902 -.3702 -1.0639 .6177 -.0830 -.3114 41 LYS 41 .6780 1.0637 999.9900 .5368 -2.0338 .1563 .0150 -.0181 -.0043 .1112 42 LYS 42 1.0838 -.1469 999.9900 .7677 .7460 .6437 .2690 .5528 .4346 .5772 43 ARG 43 .9556 -.5225 999.9900 .6901 .7064 .5039 .4534 .6227 .5522 .5137 44 LEU 44 .9913 -.8335 999.9900 999.9900 .3346 .1641 .4628 .6081 .5475 .3127 45 LYS 45 1.2214 .8340 999.9900 .9443 .6340 .9156 .5843 .6766 .6382 .8341 46 GLN 46 .1338 .7444 999.9900 1.3059 -.5521 .4080 .0252 .3907 .2384 .3413 47 LEU 47 .8442 -1.0719 999.9900 999.9900 .4504 .0743 .4308 .4446 .4388 .2196 48 SER 48 -1.3191 999.9900 .8786 999.9900 .1597 -.0936 -.2897 .5330 .1902 -.0075 49 VAL 49 .5646 999.9900 .4980 999.9900 .5521 .5382 -.0163 .5211 .2972 .4239 50 GLU 50 -1.2298 .7809 999.9900 -1.0323 -1.0906 -.6430 .2107 .5046 .3822 -.3094 51 PRO 51 -2.7614 999.9900 999.9900 999.9900 -.6674 -1.7144 -.0963 .4312 .2114 -.7735 52 TYR 52 .0957 .2884 999.9900 999.9900 .5127 .2989 -.8439 .4626 -.0817 .1031 53 SER 53 .2423 999.9900 -.0289 999.9900 .5740 .2625 -.8570 .3382 -.1598 .0537 54 GLN 54 -1.9302 1.2376 999.9900 1.3059 -.4029 .0526 .0361 -.1835 -.0920 .0105 55 GLU 55 -3.2255 .7809 999.9900 -1.0323 -.9305 -1.1019 .3669 .1045 .2138 -.6560 56 GLU 56 -.5936 .0644 999.9900 -1.0323 -.3220 -.4709 .2644 .3421 .3097 -.2129 57 ALA 57 -2.5451 999.9900 999.9900 999.9900 -.0775 -1.3113 .5428 .5930 .5721 -.3717 58 GLU 58 -.2011 -2.8418 999.9900 -1.0323 .6424 -.8582 .3642 .2622 .3047 -.4677 59 ARG 59 -2.5097 -1.8960 999.9900 .6901 .7064 -.4638 .0957 .0475 .0676 -.3109 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .4012 -1.5317 .5563 -.3258 .0417 -.7082 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .6227 -1.4210 -.4435 .4476 .0763 -.7094 62 GLY 62 -1.4779 999.9900 999.9900 999.9900 .8277 -.3251 -1.4207 .4143 -.4013 -.4142 63 MET 63 -.2651 .5321 999.9900 .9587 1.2917 .6293 -.2539 .5675 .2253 .4718 64 GLY 64 -2.9723 999.9900 999.9900 999.9900 .3466 -1.3129 -.2343 .6726 .2696 -.5468 65 SER 65 -3.7598 999.9900 -.0289 999.9900 -.4586 -1.4158 .0656 .4698 .3014 -.7424 66 TYR 66 -.3989 .2884 999.9900 999.9900 .7393 .2096 -.2896 -.1640 -.2163 .0350 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.0737 -.2201 -.1573 -.4575 Means: -.4960 -.2342 .1609 .3123 .2185 -.0801 .0532 .3474 .2242 .0282 2.00 refined_6