1 ASP 1 999.9900 -1.6521 999.9900 999.9900 -.1266 -.8893 .4851 .6071 .5516 -.1716 2 PRO 2 .1879 999.9900 999.9900 999.9900 .1827 .1853 .6155 .5111 .5546 .3743 3 ASN 3 -3.4329 -1.5725 999.9900 999.9900 -.1777 -1.7277 .1605 -.0757 .0227 -1.0196 4 ALA 4 -1.7824 999.9900 999.9900 999.9900 .2671 -.7576 -.1468 .5944 .2856 -.2669 5 GLU 5 .8733 -.5578 999.9900 -1.0323 .0814 -.1589 .1958 .5875 .4243 .0246 6 PHE 6 -1.8235 .8308 999.9900 999.9900 -2.2412 -1.0780 -.7659 .4627 -.0492 -.7074 7 ASP 7 -.0277 -1.0260 999.9900 999.9900 .6026 -.1504 .2904 .0397 .1442 -.0242 8 PRO 8 -.5342 999.9900 999.9900 999.9900 .6188 .0423 .2840 .6397 .4915 .2521 9 ASP 9 -.4109 -.3515 999.9900 999.9900 -1.3622 -.7082 .5299 .4854 .5039 -.2219 10 LEU 10 -2.0123 -1.4996 999.9900 999.9900 .9565 -.8518 .5663 .2978 .4097 -.3383 11 PRO 11 -.2296 999.9900 999.9900 999.9900 .0500 -.0898 .5338 .2579 .3729 .1530 12 GLY 12 .6263 999.9900 999.9900 999.9900 .0351 .3307 .1294 .5472 .3615 .3345 13 GLY 13 1.1448 999.9900 999.9900 999.9900 -.2990 .4229 -.1667 .5972 .2577 .3191 14 GLY 14 -1.4779 999.9900 999.9900 999.9900 .2296 -.6241 .3294 .6889 .5291 -.0575 15 LEU 15 .8475 -2.4128 999.9900 999.9900 .0933 -.4907 .1625 .2914 .2376 -.2037 16 HIS 16 -1.2838 -1.0384 999.9900 999.9900 .2322 -.6967 .2461 -1.8627 -.9840 -.7413 17 ARG 17 -.2757 .8761 999.9900 .5548 -.0761 .3268 .5236 .0963 .2743 .3220 18 CYS 18 .0411 999.9900 .1296 999.9900 .8268 .3325 .4296 .5039 .4729 .3862 19 LEU 19 .8475 .5315 999.9900 999.9900 .5293 .6361 .3546 .4711 .4225 .5468 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .8416 .3660 .6029 .5669 .5819 .4754 21 CYS 21 -1.3337 999.9900 .1296 999.9900 -1.0535 -.7525 .3701 .3650 .3671 -.3045 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0105 -.8679 .4111 .3910 .3994 -.2334 23 ARG 23 -.7709 1.0644 999.9900 2.5020 -.5739 .9447 -1.1511 .6063 -.1259 .5970 24 TYR 24 -.0390 .8258 999.9900 999.9900 .7784 .5217 -1.6684 .2936 -.5239 .0381 25 PHE 25 .0766 .5589 999.9900 999.9900 -.5721 .0211 -1.8060 .5283 -.4443 -.2429 26 ILE 26 .2963 -.1544 999.9900 999.9900 .1689 .1036 -.4194 .4143 .0669 .0611 27 ASP 27 -1.2415 -2.4630 999.9900 999.9900 .3772 -1.1091 .5517 .3807 .4520 -.4790 28 SER 28 1.0911 999.9900 -.7153 999.9900 .3425 .2394 .0703 -.0982 -.0280 .1381 29 THR 29 .1421 999.9900 .8779 999.9900 .1092 .3764 .5372 .5030 .5172 .4339 30 ASN 30 .6990 1.2520 999.9900 999.9900 -1.7070 .0813 .3963 .4637 .4356 .2208 31 LEU 31 .8182 -2.9612 999.9900 999.9900 -.6084 -.9171 -.4315 .1719 -.0795 -.6022 32 LYS 32 1.0429 .8340 999.9900 -.0770 -.4103 .2625 .4593 .6352 .5619 .3439 33 THR 33 1.2375 999.9900 .8779 999.9900 -.3332 .5941 .5164 .5678 .5464 .5733 34 HIS 34 .4792 -.0314 999.9900 999.9900 .6686 .3721 .2211 .1809 .1977 .3037 35 PHE 35 -.4427 -.7766 999.9900 999.9900 .9272 -.0974 .1408 -.2006 -.0584 -.0704 36 ARG 36 -1.0952 1.1699 999.9900 1.4811 -.8847 .4304 .3467 .4156 .3869 .4163 37 SER 37 -1.0753 999.9900 .8786 999.9900 -1.9795 -.7254 -.0845 .0918 .0184 -.4338 38 LYS 38 1.0429 .1550 999.9900 .3240 -.4892 .2714 .5152 .5193 .5176 .3416 39 ASP 39 .8349 -2.4630 999.9900 999.9900 -.1878 -.6053 -.0486 .6046 .3324 -.2520 40 HIS 40 .6603 -1.3248 999.9900 999.9900 -1.6368 -.7671 -6.4574 -.1714 -2.7906 -1.7860 41 LYS 41 .3654 .6560 999.9900 .4411 -2.6618 -.1516 -1.6850 -.8324 -1.1876 -.4679 42 LYS 42 1.0838 -.6131 999.9900 .2495 .5850 .3110 .1688 .6362 .4415 .3371 43 ARG 43 .2784 -1.1343 999.9900 .1593 -.5739 -.2222 .3281 -.1297 .0611 -.1304 44 LEU 44 .6509 .3261 999.9900 999.9900 .0933 .3567 -.2713 -.6286 -.4797 .0341 45 LYS 45 1.0429 1.1488 999.9900 -.4035 .6576 .4085 .5756 .5954 .5872 .4590 46 GLN 46 -.0365 1.1250 999.9900 1.3059 -.5521 .4606 .5986 .6418 .6238 .5138 47 LEU 47 -.0169 .5315 999.9900 999.9900 -.6084 -.0312 .5172 .5827 .5554 .2012 48 SER 48 -1.8983 999.9900 .6576 999.9900 .3088 -.3106 .3026 .4431 .3846 -.0372 49 VAL 49 -.4049 999.9900 .5873 999.9900 -.9137 -.2438 .3067 .1359 .2071 -.0577 50 GLU 50 -3.2255 -.6748 999.9900 -1.0323 -.3984 -1.3328 .1683 -.1992 -.0461 -.8937 51 PRO 51 -2.7614 999.9900 999.9900 999.9900 .7618 -.9998 .1618 .5492 .3878 -.3221 52 TYR 52 -.8584 -.3337 999.9900 999.9900 .7393 -.1509 -.4329 .4347 .0732 -.0902 53 SER 53 .2130 999.9900 -.0289 999.9900 .6931 .2924 -1.2468 .1719 -.4192 -.0395 54 GLN 54 -3.1236 .6816 999.9900 1.3059 -.0576 -.2985 -.3839 .0546 -.1281 -.2539 55 GLU 55 -1.4945 .4305 999.9900 -1.0323 -1.2865 -.8457 .2816 -.1540 .0275 -.5425 56 GLU 56 -.5936 1.1195 999.9900 -1.0323 .5923 .0214 .5356 .0793 .2694 .1168 57 ALA 57 -2.4409 999.9900 999.9900 999.9900 .2428 -1.0991 -.2568 .6614 .2788 -.4484 58 GLU 58 -.3012 .6194 999.9900 -1.0323 .3899 -.0810 .5480 .6236 .5921 .1412 59 ARG 59 -.7228 -2.8571 999.9900 .9503 .1299 -.3099 -.4948 .4089 .0324 -.2336 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .3365 -1.5640 .3770 .5489 .4773 -.5506 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.1129 -1.7887 .2092 .3651 .3001 -.7508 62 GLY 62 -.3042 999.9900 999.9900 999.9900 .0351 -.1345 -.5249 .4965 .0425 -.0744 63 MET 63 -1.1708 -1.5870 999.9900 .9587 .3104 -.3722 -.3377 .3012 .0350 -.2542 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 -.7584 -2.1224 -1.2282 .6621 -.1781 -1.2027 65 SER 65 -2.2020 999.9900 .3727 999.9900 -.8619 -.8971 -.2434 .6453 .2750 -.4579 66 TYR 66 -.0083 -.3906 999.9900 999.9900 .2769 -.0406 -1.3964 .0362 -.5607 -.2964 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.7809 -1.3423 -1.1017 -1.0673 Means: -.5612 -.3205 .2444 .3847 -.1279 -.2114 -.0880 .2830 .1276 -.0934 2.00 refined_9