1 GLU 1 999.9900 -.7564 999.9900 .3501 .1264 -.0933 -.0423 .5344 .2723 .0425 2 ALA 2 -1.4499 999.9900 999.9900 999.9900 .4999 -.4750 .3357 .6315 .5083 .0043 3 GLU 3 -1.3743 .8793 999.9900 -1.0323 .4526 -.2687 .2050 .4853 .3685 -.0641 4 VAL 4 -1.7692 999.9900 -.5532 999.9900 .7810 -.5138 -.2216 .3297 .1000 -.2866 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .5185 -1.8927 -.3127 .2715 .0281 -1.1439 6 ASN 6 -.8722 -.3237 999.9900 999.9900 .5222 -.2245 .6019 .5637 .5796 .0984 7 GLN 7 -2.2003 .5127 999.9900 1.3059 -.1596 -.1353 .3705 .4998 .4459 .0548 8 LEU 8 -.0411 -1.9980 999.9900 999.9900 .2713 -.5893 -.6681 .3881 -.0520 -.4096 9 GLU 9 -.4269 1.1195 999.9900 -1.0323 .3899 .0125 -.7278 .5392 .0113 -.0231 10 ILE 10 .1962 .6227 999.9900 999.9900 -.5989 .0733 -.7138 .5416 .0185 .0096 11 LYS 11 -.4529 .1550 999.9900 -.4035 -1.2036 -.4617 -.2801 .3316 .0768 -.3224 12 PHE 12 -.2255 .9147 999.9900 999.9900 .1482 .2791 .2266 .5919 .4397 .3312 13 ARG 13 -.7228 -1.2607 999.9900 .1593 .0662 -.3197 .0391 .5514 .3379 -.1440 14 LEU 14 -.6961 -1.6805 999.9900 999.9900 -1.2350 -1.2038 .5894 .3103 .4266 -.5424 15 THR 15 -.1166 999.9900 -.8810 999.9900 .6695 -.1094 .4764 .1538 .2882 .0604 16 ASP 16 .1806 -.8657 999.9900 999.9900 .6026 -.0275 .5530 .2217 .3597 .1384 17 GLY 17 .7683 999.9900 999.9900 999.9900 .7883 .7783 -.2694 .6857 .2612 .4932 18 SER 18 -.4771 999.9900 -.0289 999.9900 .7151 .0697 .2057 .5753 .4213 .1980 19 ASP 19 -.8891 -.9304 999.9900 999.9900 .7118 -.3692 -.1026 .6357 .3281 -.1149 20 ILE 20 -.4035 .6227 999.9900 999.9900 .5300 .2497 .4272 .3552 .3852 .3063 21 GLY 21 -1.0419 999.9900 999.9900 999.9900 -.5578 -.7998 .5113 .3937 .4460 -.1737 22 PRO 22 .3744 999.9900 999.9900 999.9900 .6188 .4966 .0011 .2315 .1355 .3065 23 LYS 23 -.2799 -2.9005 999.9900 .5761 .5850 -.2887 .1079 -.4096 -.1939 -.2493 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .8416 -.0938 .3296 .6557 .5199 .1994 25 PHE 25 -.0168 .5589 999.9900 999.9900 -.7419 -.0666 .3016 .2064 .2460 .0616 26 PRO 26 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .5980 .5943 .5959 .3859 27 ASP 27 1.1285 -1.2961 999.9900 999.9900 .4469 .0931 .5534 .6551 .6127 .2976 28 ALA 28 -.6749 999.9900 999.9900 999.9900 .0817 -.2966 .4788 .5882 .5426 .1185 29 THR 29 -.1023 999.9900 .7650 999.9900 -.3332 .1098 .3880 .3393 .3596 .2114 30 THR 30 -.1761 999.9900 -.8810 999.9900 .1586 -.2995 .3706 .5160 .4554 -.0024 31 VAL 31 -.2252 999.9900 .9224 999.9900 -1.0415 -.1148 .5333 .4473 .4831 .1272 32 SER 32 .9076 999.9900 .3727 999.9900 .7982 .6928 .4954 .5577 .5318 .6263 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .6748 .6666 .6700 .3124 34 LEU 34 .9913 .3419 999.9900 999.9900 -.0758 .4191 .0561 .2478 .1680 .3123 35 LYS 35 1.2214 1.1776 999.9900 1.3578 -.2082 .9813 .3172 .4210 .3778 .8064 36 GLU 36 .8604 .4305 999.9900 -1.0323 .1264 .0962 .6060 .6904 .6553 .2802 37 THR 37 1.2375 999.9900 .0483 999.9900 .8957 .7271 .4305 .6041 .5318 .6432 38 VAL 38 .9834 999.9900 .3968 999.9900 .7394 .7065 .3984 .6343 .5360 .6304 39 ILE 39 .4667 .2838 999.9900 999.9900 .4912 .4139 .2175 .5871 .4331 .4092 40 SER 40 .8760 999.9900 -.0289 999.9900 .8922 .5798 .5637 .6630 .6216 .5932 41 GLU 41 -.1289 .4305 999.9900 -1.0323 .2491 -.1204 -.0460 .6511 .3606 .0206 42 TRP 42 -.2197 -.1373 999.9900 999.9900 .5918 .0782 .3259 .3622 .3471 .1846 43 PRO 43 .0321 999.9900 999.9900 999.9900 .7944 .4132 .2396 .3730 .3174 .3598 44 ARG 44 .8469 .8024 999.9900 .1593 .7064 .5349 .2779 .5396 .4305 .4988 45 GLU 45 -.4919 .8793 999.9900 -1.0323 -.1867 -.2079 .2994 .4373 .3798 -.0158 46 LYS 46 -1.4130 -.2695 999.9900 1.4207 -.6710 .0976 .3875 .4907 .4477 .1952 47 GLU 47 -.4497 -.3402 999.9900 -1.0323 .5923 -.3075 .1252 -.1239 -.0201 -.2048 48 ASN 48 -3.4329 .3778 999.9900 999.9900 .5940 -.8204 .4218 .0683 .2156 -.3942 49 GLY 49 -.3249 999.9900 999.9900 999.9900 .3466 .0109 .3920 .6723 .5477 .2715 50 PRO 50 -4.1421 999.9900 999.9900 999.9900 -.4005 -2.2713 -.9772 .4010 -.1733 -1.2797 51 LYS 51 .9480 .7020 999.9900 1.3759 -.5755 .7653 .5044 .4053 .4466 .6766 52 THR 52 -.1311 999.9900 .6346 999.9900 -1.1761 -.2242 .4273 .4446 .4374 .0398 53 VAL 53 .7683 999.9900 -1.0788 999.9900 -.5257 -.2787 -.0737 -.1541 -.1206 -.2128 54 LYS 54 -.0075 1.1488 999.9900 .8769 -1.6664 .2458 .5025 .6426 .5842 .3391 55 GLU 55 -.6897 -.6497 999.9900 -1.0323 .6899 -.4205 .2941 .6701 .5135 -.1196 56 VAL 56 -.0288 999.9900 -1.0788 999.9900 -.6089 -.5722 .0788 .4542 .2978 -.2367 57 LYS 57 -.1867 1.1488 999.9900 -.0770 .6576 .2931 .4344 .6369 .5525 .3624 58 LEU 58 .0762 -1.8410 999.9900 999.9900 .6708 -.3647 -.1264 .5009 .2395 -.1439 59 ILE 59 .0187 -.9795 999.9900 999.9900 -.7199 -.5603 -.0972 .3745 .1780 -.2807 60 SER 60 -1.1635 999.9900 .3727 999.9900 .7151 -.0252 .0687 .4711 .3034 .0928 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .2657 .5234 .4160 -.1686 62 GLY 62 .8709 999.9900 999.9900 999.9900 -.5578 .1566 .5781 .6441 .6148 .3838 63 LYS 63 -.2858 -2.9005 999.9900 .4405 .1791 -.4252 -.1046 .3415 .1556 -.2699 64 VAL 64 -.7565 999.9900 .5873 999.9900 .7810 .2040 .0758 .4787 .3108 .2333 65 LEU 65 -.8188 -1.8410 999.9900 999.9900 .2381 -.8072 .0285 .6025 .3634 -.3581 66 GLU 66 -.3890 -2.8418 999.9900 -1.0323 -2.5035 -1.6917 .4638 .1743 .2949 -1.0214 67 ASN 67 .7786 -2.3357 999.9900 999.9900 -.7214 -.7595 .1492 .1714 .1621 -.3916 68 SER 68 -.3100 999.9900 -.7153 999.9900 -.0193 -.3482 .3800 .3052 .3364 -.0719 69 LYS 69 -.9723 -.0931 999.9900 .1140 .7460 -.0183 .0435 .6125 .3754 .0807 70 THR 70 -.6884 999.9900 .6346 999.9900 -.2561 -.1033 .1329 .4903 .3414 .0626 71 VAL 71 1.0462 999.9900 .7395 999.9900 .5258 .7705 .5569 .5013 .5244 .6739 72 LYS 72 .7090 .8340 999.9900 1.2407 -.0430 .7963 .4573 .3163 .3750 .6793 73 ASP 73 .6418 -1.3712 999.9900 999.9900 .5733 -.0520 .5280 .6378 .5921 .2019 74 TYR 74 -.5577 -.1547 999.9900 999.9900 -.5629 -.4251 .4646 .5535 .5164 -.0515 75 ARG 75 -1.3391 -.2494 999.9900 1.0005 -.4506 -.0076 -1.0091 .3145 -.2370 -.1047 76 SER 76 -.4771 999.9900 -.0289 999.9900 .3749 -.0437 -.3667 .1276 -.0783 -.0740 77 PRO 77 .4011 999.9900 999.9900 999.9900 .5793 .4902 .4624 .6039 .5449 .5117 78 VAL 78 -.1540 999.9900 -1.0788 999.9900 .2853 -.3158 .3175 .1113 .1972 -.1038 79 SER 79 -2.1138 999.9900 .3727 999.9900 .5215 -.4065 -.6336 .1612 -.1700 -.3384 80 ASN 80 -1.7258 -.2921 999.9900 999.9900 -.5831 -.8670 .2513 .1469 .1904 -.4405 81 LEU 81 -1.2495 .8730 999.9900 999.9900 -.3368 -.2378 -1.9291 .3857 -.5788 -.4513 82 ALA 82 -2.0449 999.9900 999.9900 999.9900 -.6283 -1.3366 -.5037 .4512 .0533 -.6815 83 GLY 83 -1.1609 999.9900 999.9900 999.9900 .7039 -.2285 .2012 .5614 .4013 .0764 84 ALA 84 -1.1448 999.9900 999.9900 999.9900 .6550 -.2449 .0758 .6665 .4204 .0631 85 VAL 85 -.1817 999.9900 .4980 999.9900 .6734 .3299 -.5302 .6344 .1491 .2188 86 THR 86 .0466 999.9900 .0483 999.9900 .6695 .2548 -.3418 .2805 .0212 .1406 87 THR 87 .0164 999.9900 .9776 999.9900 .9813 .6584 .0231 .4576 .2765 .4912 88 MET 88 -.3206 -.5441 999.9900 .9587 .0476 .0354 .1138 .4451 .3071 .1167 89 HIS 89 -.5497 -.9211 999.9900 999.9900 .4328 -.3460 -.6437 .5588 .0578 -.2246 90 VAL 90 .3116 999.9900 .2799 999.9900 .4426 .3447 -1.6508 .5716 -.3544 -.0090 91 ILE 91 -.3198 .6122 999.9900 999.9900 -.4906 -.0661 -.9426 .3250 -.2032 -.1632 92 ILE 92 -.9289 -.0177 999.9900 999.9900 -.5989 -.5152 -.3847 .6668 .2287 -.2527 93 GLN 93 -1.2769 1.2376 999.9900 1.3059 .3348 .4003 -.5766 .3726 -.0229 .2329 94 ALA 94 -.3936 999.9900 999.9900 999.9900 .0817 -.1559 .1985 .5372 .3961 .1060 95 PRO 95 -3.2630 999.9900 999.9900 999.9900 .2426 -1.5102 -.0675 .5593 .2982 -.6321 96 VAL 96 -1.2914 999.9900 .4980 999.9900 -2.2406 -1.0113 -.1818 .6430 .2993 -.5146 97 THR 97 -3.6133 999.9900 .2916 999.9900 -2.7258 -2.0158 -.0858 -.1051 -.0970 -1.2477 98 GLU 98 -1.6450 .7809 999.9900 -1.0323 .6899 -.3016 .2367 .3220 .2865 -.1080 99 LYS 99 -3.5196 .8596 999.9900 .3546 .6805 -.2540 -.0199 .2168 .1182 -.1533 100 GLU 100 -2.3953 -.2011 999.9900 -1.0323 .4526 -.7940 -.4572 .2406 -.0502 -.5655 101 LYS 101 999.9900 -2.9005 999.9900 .3546 999.9900 -.7304 -1.0115 -1.1064 -1.0657 -.8618 Means: -.5139 -.3217 .0773 .2613 .0749 -.1461 .0680 .4228 .2745 .0028 2.00 refined_19