1 GLU 1 999.9900 1.1195 999.9900 -1.0323 -.1867 -.0332 .4638 .5667 .5200 .1862 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 -1.4870 -2.2778 .2973 .2507 .2701 -1.0019 3 GLU 3 -1.9801 .9247 999.9900 -1.0323 .5923 -.3739 .0797 .4853 .3163 -.1551 4 VAL 4 .4158 999.9900 -1.0788 999.9900 .6503 -.0042 -.2911 .5682 .2101 .0529 5 HIS 5 -1.6168 -1.0384 999.9900 999.9900 .5967 -.6862 -1.5651 .1748 -.5502 -.6898 6 ASN 6 -3.4329 -.3237 999.9900 999.9900 -2.3288 -2.0285 -.3085 -.3467 -.3308 -1.3481 7 GLN 7 -1.8275 -1.1512 999.9900 1.3059 .1188 -.3885 -1.5921 -.5347 -.9753 -.6135 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .6258 -.9422 .0989 -.3518 -.1640 -.6159 9 GLU 9 -.4269 -.7564 999.9900 -1.0323 .7127 -.3757 -1.2508 -.1659 -.6179 -.4866 10 ILE 10 .3059 .6227 999.9900 999.9900 -.7199 .0696 -.9095 .5975 -.0304 -.0207 11 LYS 11 -.2345 .1550 999.9900 .6906 -.2707 .2062 -.3398 .4201 .1035 .1588 12 PHE 12 -.2457 .3647 999.9900 999.9900 .4513 .1901 .0451 .6562 .4016 .2543 13 ARG 13 -.5160 .5439 999.9900 .7862 -.0022 .3196 .2094 .4484 .3488 .3223 14 LEU 14 -1.2495 .8730 999.9900 999.9900 -.8739 -.4168 .3569 .2618 .3015 -.1263 15 THR 15 .1314 999.9900 .2916 999.9900 .5490 .3240 .4426 .3201 .3711 .3470 16 ASP 16 .1806 -.5059 999.9900 999.9900 .8104 .1617 .4699 .2981 .3697 .2506 17 GLY 17 1.1139 999.9900 999.9900 999.9900 -.5578 .2781 .2412 .6924 .4918 .3724 18 SER 18 -.5057 999.9900 -.0289 999.9900 -.3810 -.3052 .0441 .4127 .2591 -.0918 19 ASP 19 -1.3105 -2.0928 999.9900 999.9900 -.5661 -1.3232 -.2479 .4760 .1744 -.7483 20 ILE 20 .0813 .6227 999.9900 999.9900 .2717 .3253 .3805 .2433 .3005 .3199 21 GLY 21 -1.3851 999.9900 999.9900 999.9900 -.9224 -1.1537 .5497 .4881 .5155 -.3174 22 PRO 22 .6201 999.9900 999.9900 999.9900 .4021 .5111 -.0953 .0779 .0057 .2512 23 LYS 23 -.3038 .4325 999.9900 1.2708 .6340 .6608 .1623 .1566 .1590 .5176 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .7881 -.1206 .0639 .6399 .3999 .1157 25 PHE 25 -.0168 .5589 999.9900 999.9900 -.0075 .1782 .0054 .0592 .0368 .1199 26 PRO 26 .6201 999.9900 999.9900 999.9900 .7618 .6910 .2862 .5308 .4289 .5497 27 ASP 27 .8349 -1.0518 999.9900 999.9900 .1337 -.0277 .3803 .6129 .5160 .1820 28 ALA 28 -.6970 999.9900 999.9900 999.9900 .0817 -.3076 .5636 .4280 .4845 .0941 29 THR 29 -.3748 999.9900 -.8810 999.9900 -.8522 -.7027 .0666 .0765 .0724 -.3930 30 THR 30 -.1608 999.9900 -.8810 999.9900 .8957 -.0487 .5515 .6483 .6080 .2107 31 VAL 31 -.2252 999.9900 -.0276 999.9900 -.2503 -.1677 .6002 .5899 .5942 .1374 32 SER 32 .9076 999.9900 -.0289 999.9900 .9098 .5962 .5549 .5924 .5768 .5872 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.2694 .1335 .6724 .6418 .6546 .3953 34 LEU 34 .9913 .3419 999.9900 999.9900 -.1723 .3870 .1399 .1228 .1299 .2847 35 LYS 35 .6780 1.2989 999.9900 -.4035 .0060 .2352 .3982 .4190 .4103 .2847 36 GLU 36 .8604 .2661 999.9900 -1.0323 .0339 .0320 .5425 .6627 .6126 .2222 37 THR 37 .7219 999.9900 .7650 999.9900 .2504 .5791 .1075 .4651 .3161 .4620 38 VAL 38 1.0462 999.9900 -.5532 999.9900 .2853 .2594 .1966 .4482 .3434 .2846 39 ILE 39 1.0067 .8778 999.9900 999.9900 .2717 .7187 .3733 .6029 .5072 .6265 40 SER 40 .8651 999.9900 .6576 999.9900 .6705 .7311 .4187 .6163 .5340 .6457 41 GLU 41 -.4919 .6687 999.9900 .3501 .2101 .1843 .0744 .5156 .3317 .2212 42 TRP 42 -.3568 -.1373 999.9900 999.9900 -1.6678 -.7206 .4406 .4410 .4408 -.2561 43 PRO 43 -3.5209 999.9900 999.9900 999.9900 .2426 -1.6391 -.0747 .4537 .2336 -.7248 44 ARG 44 .2784 .6306 999.9900 1.0856 .4407 .7042 .4415 .4460 .4441 .6298 45 GLU 45 -.4919 .7809 999.9900 -1.0323 .5390 -.0511 .2665 .3360 .3070 .0664 46 LYS 46 -.6540 -.7632 999.9900 .9312 -.2082 .0474 .5746 .6220 .6023 .2048 47 GLU 47 -.3103 .4305 999.9900 -1.0323 -1.0906 -.5007 -.0810 .3486 .1696 -.2892 48 ASN 48 -2.8943 1.0524 999.9900 999.9900 .9106 -.3105 .3871 .1099 .2254 -.0869 49 GLY 49 -.2180 999.9900 999.9900 999.9900 .8277 .3048 -.0921 .5512 .2653 .2672 50 PRO 50 -5.1268 999.9900 999.9900 999.9900 .6931 -2.2169 -2.6409 .1066 -1.0382 -1.7420 51 LYS 51 -.0075 -1.9682 999.9900 -.4035 -.5755 -.6717 .0682 -.1084 -.0349 -.4855 52 THR 52 .2328 999.9900 .2916 999.9900 .1586 .2277 .6332 .5788 .6015 .3790 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .5776 .0216 .3782 .3690 .3728 .1624 54 LYS 54 .0635 .1761 999.9900 .6906 -.4892 .2263 .3721 .6727 .5474 .3109 55 GLU 55 -.7734 1.0525 999.9900 .3501 .0339 .1658 .5372 .5774 .5606 .2963 56 VAL 56 .3758 999.9900 -1.0788 999.9900 -1.0415 -.5815 .2808 .5571 .4419 -.1813 57 LYS 57 -.2512 -1.9682 999.9900 .1140 .3573 -.3268 .0310 .1744 .1147 -.2041 58 LEU 58 -.2443 -2.3037 999.9900 999.9900 -.6084 -1.0521 -.0031 .0308 .0166 -.6258 59 ILE 59 .1962 .6227 999.9900 999.9900 -.1449 .2247 .1190 .5896 .3935 .2765 60 SER 60 -.4057 999.9900 .3727 999.9900 -.0193 -.0174 .2374 .5662 .4292 .1503 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .6227 -.7933 .4417 .5535 .5069 -.1478 62 GLY 62 .6263 999.9900 999.9900 999.9900 .6270 .6267 .4636 .6215 .5513 .5846 63 LYS 63 -.1919 .7020 999.9900 -.4035 -.3378 -.1269 .4125 .6094 .5274 .0553 64 VAL 64 -.4192 999.9900 -1.0788 999.9900 -.1376 -.5452 -.3086 .5126 .1705 -.2863 65 LEU 65 -.2022 -1.4996 999.9900 999.9900 .6708 -.3436 -.5882 .4941 .0432 -.2250 66 GLU 66 -.6642 -2.8418 999.9900 -1.0323 -2.5035 -1.7605 -.0945 -.1309 -.1157 -1.2112 67 ASN 67 .1528 -1.1653 999.9900 999.9900 -.1777 -.3967 .4554 -.1022 .1301 -.1674 68 SER 68 .6980 999.9900 -.0289 999.9900 .6705 .4465 .5187 .5496 .5367 .4816 69 LYS 69 -.7069 -1.6955 999.9900 .8261 .2547 -.0991 -.3648 .3368 .0445 -.0748 70 THR 70 -.3846 999.9900 .4804 999.9900 -.6102 -.1715 .1178 .5147 .3493 .0236 71 VAL 71 .5660 999.9900 .5873 999.9900 .2505 .4679 .5811 .4876 .5265 .4945 72 LYS 72 .7090 .8340 999.9900 .1140 .0525 .3647 .6417 .1239 .3397 .3699 73 ASP 73 .6201 -.4551 999.9900 999.9900 .5431 .2360 .4909 .6937 .6092 .3785 74 TYR 74 -.8584 .5297 999.9900 999.9900 .6556 .1090 .5438 .6383 .5989 .3018 75 ARG 75 -.9010 .7238 999.9900 .1593 .1299 .0543 .2730 .3067 .2927 .1216 76 SER 76 .1050 999.9900 .3727 999.9900 .0747 .1841 .0243 .3777 .2305 .1909 77 PRO 77 -2.7614 999.9900 999.9900 999.9900 .2426 -1.2594 -.8810 .3464 -.1650 -.7633 78 VAL 78 -2.3613 999.9900 -1.0788 999.9900 -1.3636 -1.6012 .5641 .4458 .4951 -.7588 79 SER 79 -3.7598 999.9900 -.7153 999.9900 -.6377 -1.7043 .5370 .2783 .3861 -.8595 80 ASN 80 .0279 -.3237 999.9900 999.9900 .3587 .0210 .3195 .6396 .5062 .2044 81 LEU 81 -1.5047 -1.5832 999.9900 999.9900 -.1723 -1.0867 -1.7404 .5805 -.3866 -.8840 82 ALA 82 -3.0686 999.9900 999.9900 999.9900 .4617 -1.3035 -1.1161 .4458 -.2050 -.8193 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 -.5562 .4073 -.0209 -.5080 84 ALA 84 -.9610 999.9900 999.9900 999.9900 .0212 -.4699 -.2034 .6162 .2747 -.1317 85 VAL 85 -.1473 999.9900 .5873 999.9900 -1.3636 -.3078 -.6784 .4760 -.0050 -.2252 86 THR 86 -.2319 999.9900 -.8810 999.9900 -.0562 -.3897 -.8625 .4360 -.1050 -.3191 87 THR 87 .1937 999.9900 -.2947 999.9900 -.1184 -.0731 -.5274 .5558 .1045 -.0382 88 MET 88 -.3657 -1.7864 999.9900 .9587 -.8385 -.5080 -.4601 .5411 .1239 -.3252 89 HIS 89 -.5497 -.4813 999.9900 999.9900 .9611 -.0233 -.8659 .6193 .0005 -.0633 90 VAL 90 -.3909 999.9900 -1.0788 999.9900 .5776 -.2974 -1.3089 .5293 -.2366 -.3343 91 ILE 91 .1597 -.3653 999.9900 999.9900 -2.1444 -.7833 -.4313 .2840 -.0140 -.4995 92 ILE 92 -.0022 -.0414 999.9900 999.9900 .5300 .1621 .3357 .5870 .4823 .2818 93 GLN 93 -.1966 1.1250 999.9900 1.3059 -2.2865 -.0130 -2.1323 .1100 -.8243 -.3457 94 ALA 94 -1.4499 999.9900 999.9900 999.9900 -1.3426 -1.3962 -.0678 .0351 -.0078 -.7063 95 PRO 95 -.5949 999.9900 999.9900 999.9900 -.1050 -.3500 -.7418 .1248 -.2363 -.3292 96 VAL 96 -3.0988 999.9900 .2799 999.9900 .7810 -.6793 -.7789 .3545 -.1178 -.4925 97 THR 97 -1.1398 999.9900 -.2947 999.9900 -1.3910 -.9418 .1313 -.1516 -.0337 -.5691 98 GLU 98 -3.2255 -2.8418 999.9900 -1.0323 -1.0906 -2.0476 -.0221 -.6418 -.3836 -1.4757 99 LYS 99 -3.0472 .8340 999.9900 .6133 -1.6664 -.5306 .1387 .1344 .1362 -.3400 100 GLU 100 -3.2255 -2.8418 999.9900 .3501 -2.5035 -2.0552 -.3949 -.3879 -.3908 -1.5006 101 LYS 101 999.9900 1.1488 999.9900 .9771 999.9900 1.0343 -.3758 -.1724 -.2596 .5110 Means: -.6084 -.2735 -.2371 .2377 -.1077 -.2523 -.0338 .3563 .1932 -.0936 2.00 refined_10