1 GLU 1 999.9900 -.2670 999.9900 -1.0323 .5390 -.2534 .2208 .4756 .3598 -.0128 2 ALA 2 -1.9174 999.9900 999.9900 999.9900 .7881 -.5647 .3770 .6647 .5448 -.0219 3 GLU 3 -3.2255 .8332 999.9900 -1.0323 .7127 -.6780 .2115 .4944 .3765 -.3343 4 VAL 4 .1158 999.9900 -.2457 999.9900 .6959 .1887 -.1207 .5676 .2808 .2026 5 HIS 5 -1.3805 -.0777 999.9900 999.9900 .2322 -.4087 .4725 .4568 .4633 -.0593 6 ASN 6 .3369 -2.3357 999.9900 999.9900 -.4633 -.8207 .3453 .2820 .3083 -.3670 7 GLN 7 -.5881 -.5355 999.9900 1.3059 .5636 .1865 -.2262 .2665 .0612 .1310 8 LEU 8 -.1897 -1.4996 999.9900 999.9900 .9730 -.2388 .5218 .0036 .2195 -.0382 9 GLU 9 -.5440 -.6497 999.9900 -1.0323 .3899 -.4590 -.7208 -.5676 -.6314 -.5208 10 ILE 10 .2593 .6227 999.9900 999.9900 -.5989 .0944 -.8664 .5446 -.0433 -.0078 11 LYS 11 -.3223 .0381 999.9900 .1731 -.6710 -.1218 -.8762 .4335 -.1122 -.1503 12 PHE 12 -.2255 .4802 999.9900 999.9900 -.3041 -.0165 .0095 .6080 .3586 .1136 13 ARG 13 -.5160 .5439 999.9900 .1593 -.1565 .0380 -.2509 .3312 .0887 .0386 14 LEU 14 -.9403 -1.6805 999.9900 999.9900 .3942 -.7422 .3549 .6073 .5022 -.2529 15 THR 15 .1314 999.9900 -.8810 999.9900 .5164 -.0777 .3757 .4428 .4148 .1171 16 ASP 16 .0771 -2.1980 999.9900 999.9900 -.1266 -.7492 .6748 .6449 .6573 -.1856 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .5069 .8104 .0591 .6745 .4010 .5886 18 SER 18 -.4771 999.9900 .3727 999.9900 .8922 .2626 .0603 .5291 .3338 .2754 19 ASP 19 -.8891 -1.0518 999.9900 999.9900 .5431 -.4659 -.8706 .5739 -.0280 -.3389 20 ILE 20 .0813 .6227 999.9900 999.9900 .4089 .3710 .3926 .2737 .3232 .3559 21 GLY 21 -.5849 999.9900 999.9900 999.9900 -.5578 -.5713 .4936 .4336 .4602 -.0539 22 PRO 22 -.2605 999.9900 999.9900 999.9900 -.1935 -.2270 .1318 .1400 .1366 -.0455 23 LYS 23 -.6340 -1.2879 999.9900 .6506 -1.0384 -.3318 -.4076 -.4948 -.4585 -.3659 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .0817 -.4738 .1346 .6542 .4377 -.0397 25 PHE 25 -.0017 -.0090 999.9900 999.9900 -.3041 -.1049 .2059 -.1311 .0093 -.0480 26 PRO 26 .5449 999.9900 999.9900 999.9900 .4949 .5199 .3834 .3650 .3727 .4471 27 ASP 27 1.1359 -.8657 999.9900 999.9900 .1786 .1496 .4225 .3555 .3834 .2454 28 ALA 28 -1.6732 999.9900 999.9900 999.9900 .5367 -.5683 .5078 .5560 .5359 -.0182 29 THR 29 .0286 999.9900 1.1473 999.9900 .6695 .6152 .3543 .6231 .5111 .5646 30 THR 30 -.4781 999.9900 -.8810 999.9900 .6112 -.2493 .3481 .6337 .5147 .0468 31 VAL 31 -.2252 999.9900 .4980 999.9900 -.3121 -.0131 .5308 .5566 .5459 .2096 32 SER 32 .7360 999.9900 -.0289 999.9900 .8922 .5331 .5258 .6494 .5979 .5549 33 ALA 33 .5364 999.9900 999.9900 999.9900 .0520 .2942 .6585 .6819 .6722 .4822 34 LEU 34 .9913 .3419 999.9900 999.9900 -.0758 .4191 .0294 .1618 .1066 .2897 35 LYS 35 1.2214 .7299 999.9900 -.4035 -1.2036 -.0118 .4393 .3511 .3879 .1045 36 GLU 36 .8604 .6194 999.9900 -1.0323 .5923 .2599 .5811 .6874 .6431 .3847 37 THR 37 .9379 999.9900 .0483 999.9900 .2932 .4265 .4400 .6110 .5397 .4661 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 -.3121 -.1149 .4258 .4611 .4464 .1085 39 ILE 39 .4667 .8778 999.9900 999.9900 .4089 .5845 .1684 .5291 .3788 .4902 40 SER 40 .7489 999.9900 -.0289 999.9900 .2374 .3191 .3150 .4822 .4125 .3509 41 GLU 41 -.5648 .4305 999.9900 -1.0323 -.5746 -.4353 -.2664 .4014 .1232 -.2677 42 TRP 42 -.2197 -1.9067 999.9900 999.9900 .0811 -.6818 .4760 .1293 .2738 -.2880 43 PRO 43 -2.2783 999.9900 999.9900 999.9900 -.1935 -1.2359 .5191 .4269 .4653 -.3815 44 ARG 44 .6655 .7238 999.9900 .7862 .2983 .6520 .5629 .3620 .4457 .5978 45 GLU 45 -.4919 1.1195 999.9900 -1.0323 .0814 -.0808 .6483 .5865 .6123 .1519 46 LYS 46 -.4839 .7597 999.9900 1.2407 .7669 .7048 .5085 .6687 .6019 .6716 47 GLU 47 -.3890 -.4402 999.9900 -1.0323 -1.0906 -.7380 .2560 .0743 .1500 -.4370 48 ASN 48 -3.4329 -.5828 999.9900 999.9900 .9106 -1.0350 -.5629 -.3594 -.4442 -.8055 49 GLY 49 -.5558 999.9900 999.9900 999.9900 .9364 .1903 -.4879 .3701 -.0112 .0657 50 PRO 50 -4.5055 999.9900 999.9900 999.9900 -.4005 -2.4530 -.2328 .6066 .2568 -1.1331 51 LYS 51 -.4232 .7597 999.9900 .6177 .7872 .4718 .3330 .3695 .3543 .4374 52 THR 52 .2328 999.9900 .8779 999.9900 -1.6680 -.1857 .0342 .3395 .2123 -.0367 53 VAL 53 -.1888 999.9900 -1.0788 999.9900 -.5257 -.5977 -.1473 -.1651 -.1577 -.4211 54 LYS 54 .0635 .9683 999.9900 .2868 -1.6664 -.0122 .3294 .6426 .5121 .1301 55 GLU 55 -1.0469 1.0525 999.9900 -1.0323 .0814 -.2364 .3919 .5051 .4579 -.0081 56 VAL 56 -.3818 999.9900 .3968 999.9900 .5258 .1803 .3873 .6237 .5252 .3104 57 LYS 57 -.1867 .7568 999.9900 -.0770 -.5755 -.0319 .6877 .5614 .6140 .1557 58 LEU 58 -.0536 -1.5832 999.9900 999.9900 -.6084 -.7484 .2342 .5981 .4465 -.2826 59 ILE 59 .5210 .6227 999.9900 999.9900 -.1449 .3329 .0931 .5374 .3523 .3259 60 SER 60 -.3484 999.9900 .3727 999.9900 .6705 .2316 .3646 .5378 .4656 .3194 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .8416 -.4418 .5309 .4586 .4887 .0265 62 GLY 62 .7683 999.9900 999.9900 999.9900 .6890 .7287 .2061 .6829 .4710 .5866 63 LYS 63 -.1919 -.2695 999.9900 1.0822 .5595 .4525 -.3322 .5991 .2110 .3613 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .6734 -.2846 -.2543 .5599 .2206 -.1097 65 LEU 65 -.2246 -1.4996 999.9900 999.9900 .1683 -.5186 -.5261 .5207 .0846 -.3122 66 GLU 66 -.5239 .8225 999.9900 -1.0323 -1.0906 -.4561 .3232 .3911 .3628 -.1850 67 ASN 67 .1528 -1.1653 999.9900 999.9900 .4840 -.1762 -.0673 .2768 .1334 -.0638 68 SER 68 .4341 999.9900 -.0289 999.9900 .7151 .3735 .0177 .5639 .3363 .3404 69 LYS 69 -.8956 .1761 999.9900 1.3578 -.3378 .3317 -.3358 .6327 .2292 .2793 70 THR 70 -.3846 999.9900 .7650 999.9900 .1092 .1632 .1473 .4412 .3188 .2156 71 VAL 71 1.0462 999.9900 .3968 999.9900 .6959 .7130 .5440 .2739 .3864 .5913 72 LYS 72 .7090 -2.4344 999.9900 .6177 .6340 .0288 .5061 -.1839 .1036 .0666 73 ASP 73 1.1285 -.2599 999.9900 999.9900 .7866 .5518 .5590 .6577 .6166 .5744 74 TYR 74 -.5385 .5339 999.9900 999.9900 .6556 .2170 .3375 .6275 .5066 .3232 75 ARG 75 -.4945 .0684 999.9900 .1593 .5640 .0913 .1685 .2906 .2397 .1308 76 SER 76 .1748 999.9900 -.7153 999.9900 -.0193 -.1866 .0981 .4906 .3271 .0058 77 PRO 77 -.9057 999.9900 999.9900 999.9900 -.1935 -.5496 .4535 .1295 .2645 -.1290 78 VAL 78 -4.3409 999.9900 .7395 999.9900 .6959 -.9685 -.7715 -.0105 -.3276 -.7375 79 SER 79 -.4771 999.9900 .6576 999.9900 .7781 .3195 .0657 .6085 .3823 .3266 80 ASN 80 -1.6439 1.0524 999.9900 999.9900 -1.3432 -.6449 .0868 .4611 .3051 -.2774 81 LEU 81 -.9308 -1.9410 999.9900 999.9900 -.1723 -1.0147 -1.2041 .3241 -.3127 -.7848 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 -1.1070 -2.2858 -.5185 .3630 -.0043 -1.1818 83 GLY 83 -1.5291 999.9900 999.9900 999.9900 .0351 -.7470 .1720 .4155 .3073 -.2266 84 ALA 84 -.6837 999.9900 999.9900 999.9900 .5367 -.0735 -.6288 .6154 .0970 -.0401 85 VAL 85 -.2674 999.9900 .3968 999.9900 .7394 .2896 -1.8395 .5598 -.4399 -.0822 86 THR 86 .4171 999.9900 -.2947 999.9900 -1.0006 -.2927 -.3149 .2639 .0228 -.1858 87 THR 87 .2184 999.9900 .7650 999.9900 -.6102 .1244 -.0452 .5365 .2942 .1729 88 MET 88 -.3657 -1.3058 999.9900 .9587 .9122 .0498 -.5573 .5094 .0650 .0252 89 HIS 89 -.5497 -.0314 999.9900 999.9900 .4328 -.0494 -1.0264 .4898 -.1419 -.1370 90 VAL 90 -.0288 999.9900 .5873 999.9900 .6959 .4182 -2.1276 .3765 -.6669 -.0993 91 ILE 91 .0718 -1.6252 999.9900 999.9900 .1689 -.4615 -1.7348 .2166 -.5965 -.5805 92 ILE 92 -.8315 -.0177 999.9900 999.9900 -1.2029 -.6841 -1.0415 .6525 -.0533 -.4882 93 GLN 93 -.2478 .7444 999.9900 1.3059 -1.6155 .0467 -1.2436 -.0357 -.5390 -.1821 94 ALA 94 -1.1963 999.9900 999.9900 999.9900 -.1496 -.6730 .4932 .6691 .5958 -.0459 95 PRO 95 -1.4133 999.9900 999.9900 999.9900 .7618 -.3257 -2.0333 -.0944 -.9023 -.6948 96 VAL 96 -3.0988 999.9900 .1416 999.9900 -.2503 -1.0692 -1.0308 .3117 -.2477 -.7853 97 THR 97 -2.3261 999.9900 1.0667 999.9900 -.8522 -.7039 -.5414 .4148 .0164 -.4476 98 GLU 98 -1.8465 .7809 999.9900 -1.0323 -1.0906 -.7971 -.9262 .5498 -.0652 -.5942 99 LYS 99 -1.5497 -.2970 999.9900 .4778 -.3378 -.2458 -.4382 .2830 -.0175 -.1977 100 GLU 100 .1885 .6046 999.9900 -1.0323 -.3220 -.1403 .6654 .6186 .6381 .1205 101 LYS 101 999.9900 -.6131 999.9900 .3546 999.9900 .0321 .3290 .0474 .1681 .0945 Means: -.4709 -.1953 .1070 .1632 .0622 -.1264 -.0311 .4057 .2231 -.0056 2.00 refined_20