1 GLU 1 999.9900 -.7859 999.9900 -1.0323 -1.5390 -1.1191 .3700 .3884 .3800 -.5198 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 -1.8670 -2.6658 .1526 -.1535 -.0260 -1.3331 3 GLU 3 -2.3953 .8225 999.9900 -1.0323 .2491 -.5890 -.3479 .1934 -.0322 -.4184 4 VAL 4 -.3909 999.9900 .1416 999.9900 .5258 .0922 .2861 .4605 .3879 .2046 5 HIS 5 -3.0884 .4861 999.9900 999.9900 .6686 -.6446 -.4741 .1278 -.1230 -.4560 6 ASN 6 -.2390 .4888 999.9900 999.9900 -1.3432 -.3645 -.0889 .6688 .3531 -.1027 7 GLN 7 -1.7386 -2.6982 999.9900 1.3059 -.0576 -.7971 .2684 .1382 .1924 -.4637 8 LEU 8 .0986 -2.9612 999.9900 999.9900 -1.0998 -1.3208 -.8280 -.6272 -.7109 -1.0835 9 GLU 9 -.5440 1.0525 999.9900 -1.0323 -.1867 -.1776 -1.5964 .6155 -.3061 -.2819 10 ILE 10 .2593 .6227 999.9900 999.9900 .2717 .3846 -.2543 .6390 .2668 .3077 11 LYS 11 -.2345 .1550 999.9900 .3240 -2.0338 -.2930 -.9520 .3815 -.1741 -.2908 12 PHE 12 -.2560 .8396 999.9900 999.9900 .1482 .2439 .0190 .5828 .3479 .2667 13 ARG 13 -.8609 .7238 999.9900 .6901 -.0022 .2482 -.0424 .5513 .3039 .2500 14 LEU 14 -.8268 -1.6805 999.9900 999.9900 .5293 -.6593 .2699 .5203 .4160 -.2375 15 THR 15 .3736 999.9900 -.2947 999.9900 .8957 .3248 .5808 .3637 .4542 .3838 16 ASP 16 .1806 -1.3328 999.9900 999.9900 .6026 -.1832 .5745 .6210 .6016 .1292 17 GLY 17 .8709 999.9900 999.9900 999.9900 .2296 .5503 .4412 .6647 .5653 .5516 18 SER 18 -.3484 999.9900 .3727 999.9900 .5215 .1819 .4131 .4381 .4277 .2794 19 ASP 19 -.9509 -1.2961 999.9900 999.9900 -.3974 -.8815 -.6908 .4142 -.0462 -.5842 20 ILE 20 -.4035 .6227 999.9900 999.9900 .4912 .2368 .3335 .1994 .2553 .2487 21 GLY 21 -.5849 999.9900 999.9900 999.9900 .0351 -.2749 .6593 .4699 .5541 .1449 22 PRO 22 .6201 999.9900 999.9900 999.9900 .4021 .5111 -.3479 .2804 .0186 .2387 23 LYS 23 -.2455 -2.9005 999.9900 .5131 -.2707 -.4781 -.5662 -.3148 -.4196 -.4674 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .2908 -.3692 -.3312 .6047 .2147 -.1162 25 PHE 25 -.0168 -.4548 999.9900 999.9900 -1.2178 -.5631 -.6359 .0421 -.2404 -.4566 26 PRO 26 .4049 999.9900 999.9900 999.9900 .4021 .4035 -.0250 .2826 .1544 .2661 27 ASP 27 .8349 -1.4542 999.9900 999.9900 .9215 .1007 .3896 .0013 .1631 .1386 28 ALA 28 -.6749 999.9900 999.9900 999.9900 -.1879 -.4314 .4793 .4407 .4568 .0143 29 THR 29 .0286 999.9900 -.8810 999.9900 .5490 -.1011 .5764 .2974 .4137 .1141 30 THR 30 -.4672 999.9900 -.8810 999.9900 .4826 -.2885 .3888 .4820 .4431 .0010 31 VAL 31 -.2252 999.9900 .8055 999.9900 -.3121 .0894 .6146 .4378 .5115 .2641 32 SER 32 .7360 999.9900 .3727 999.9900 .6931 .6006 .3717 .5916 .5000 .5530 33 ALA 33 .2107 999.9900 999.9900 999.9900 .0520 .1313 .3776 .6776 .5526 .3295 34 LEU 34 .9913 .3419 999.9900 999.9900 .4227 .5853 -.1280 -.2384 -.1924 .2779 35 LYS 35 .6780 .9683 999.9900 -.4035 -1.4057 -.1133 .5943 .3964 .4789 .0606 36 GLU 36 .8733 .6194 999.9900 -1.0323 .7127 .2933 .5944 .6568 .6308 .4041 37 THR 37 1.1372 999.9900 .2916 999.9900 .2504 .5597 .3616 .5156 .4514 .5113 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .4426 .1367 .2839 .5718 .4518 .2531 39 ILE 39 .6852 .6227 999.9900 999.9900 .4089 .5723 .4769 .6507 .5783 .5689 40 SER 40 .7489 999.9900 .3727 999.9900 .8922 .6713 .5745 .6678 .6289 .6512 41 GLU 41 -.2127 .6194 999.9900 -1.0323 .0814 -.1361 -.0914 .6506 .3414 .0025 42 TRP 42 -.5632 -1.6686 999.9900 999.9900 -1.6678 -1.2998 .5315 -.1216 .1505 -.6979 43 PRO 43 -3.5209 999.9900 999.9900 999.9900 -.4005 -1.9607 .6186 .5629 .5862 -.6849 44 ARG 44 .2784 .8024 999.9900 1.0005 .9385 .8041 .5953 .6212 .6104 .7481 45 GLU 45 .0468 .8034 999.9900 -1.0323 -1.0906 -.3182 .5900 .4410 .5031 -.0403 46 LYS 46 -1.2991 .0381 999.9900 .9587 .8827 .3078 -.4117 .3393 .0263 .2095 47 GLU 47 -.9870 -2.8418 999.9900 -1.0323 .6899 -1.0428 -.2035 -.0344 -.1048 -.7349 48 ASN 48 -3.4329 -1.0148 999.9900 999.9900 -.0996 -1.5158 -1.2973 -.1571 -.6322 -1.2003 49 GLY 49 -1.1609 999.9900 999.9900 999.9900 -1.5458 -1.3533 .6890 .1194 .3725 -.4746 50 PRO 50 -2.4417 999.9900 999.9900 999.9900 -.1935 -1.3176 -1.3151 .3050 -.3700 -.9113 51 LYS 51 -.6960 -1.0793 999.9900 -.0770 .5595 -.2739 -13.3562 -1.4972 -6.4385 -2.3176 52 THR 52 -.7170 999.9900 -.8810 999.9900 -1.6680 -1.0887 -.0610 -.2638 -.1793 -.7182 53 VAL 53 -.8511 999.9900 -1.0788 999.9900 .4426 -.4958 -.0437 .1193 .0514 -.2823 54 LYS 54 .6780 .7020 999.9900 1.5258 -2.0338 .4796 .4680 .4825 .4765 .4783 55 GLU 55 -3.2255 -.3402 999.9900 -1.0323 .6424 -.9889 .5000 -.1195 .1386 -.5959 56 VAL 56 -.1817 999.9900 -1.0788 999.9900 .7810 -.1598 .4207 .5942 .5219 .1071 57 LYS 57 -.1867 -1.9682 999.9900 .8043 -.4103 -.1913 .2562 .4657 .3784 -.0335 58 LEU 58 .0291 -1.8410 999.9900 999.9900 -.3982 -.7367 .0475 .4171 .2631 -.3491 59 ILE 59 .3408 -.5821 999.9900 999.9900 -1.0155 -.4189 .2580 .6357 .4783 -.0726 60 SER 60 -.4961 999.9900 1.0592 999.9900 .2374 .2668 -.1270 .3063 .1258 .1960 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .8152 -.4550 .5436 .4685 .4998 .0255 62 GLY 62 1.0314 999.9900 999.9900 999.9900 -.5578 .2368 .5597 .5782 .5700 .4029 63 LYS 63 -.2512 .9683 999.9900 .9771 .1791 .5701 .2926 .3021 .2981 .4922 64 VAL 64 -.1473 999.9900 -.5532 999.9900 .3189 -.1272 -.5182 .1833 -.1090 -.1433 65 LEU 65 -.5868 -1.4996 999.9900 999.9900 -.4635 -.8500 .5519 .5256 .5365 -.2945 66 GLU 66 -.3386 -.2011 999.9900 .3501 -.7952 -.2462 .1229 .2816 .2155 -.0967 67 ASN 67 1.1678 -1.5725 999.9900 999.9900 .6279 .0744 .4729 .1695 .2959 .1731 68 SER 68 .4341 999.9900 .3727 999.9900 -.6377 .0564 .2747 .6879 .5157 .2264 69 LYS 69 -1.3827 .7299 999.9900 .7677 -.4103 .0945 -.0742 .4122 .2095 .1158 70 THR 70 -.7465 999.9900 .2916 999.9900 .5490 .0314 -.0964 .4710 .2346 .0938 71 VAL 71 .7683 999.9900 .8055 999.9900 .2853 .6197 .5748 .6181 .6000 .6104 72 LYS 72 -.1232 .8340 999.9900 .3240 .1791 .3076 .5506 .3016 .4054 .3415 73 ASP 73 .6201 -.9533 999.9900 999.9900 -.3974 -.2435 .4039 .6250 .5329 .0597 74 TYR 74 -.4658 .3615 999.9900 999.9900 .2066 .0341 -.3603 .2987 .0241 .0081 75 ARG 75 -2.2658 -.4329 999.9900 1.2208 -.4506 -.1415 -1.6586 -.0963 -.7472 -.3518 76 SER 76 -.1368 999.9900 .3727 999.9900 .6235 .2865 -.0887 .2561 .1124 .2054 77 PRO 77 -.4724 999.9900 999.9900 999.9900 .2426 -.1149 .3430 -.0205 .1310 .0232 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .8960 -1.5079 -.9359 -1.8885 -1.4916 -1.4696 79 SER 79 -3.2405 999.9900 -.7153 999.9900 -.0193 -1.3251 .5030 -.1212 .1389 -.7187 80 ASN 80 -2.8943 .3778 999.9900 999.9900 -1.7070 -1.4079 .5852 .2580 .3943 -.6761 81 LEU 81 -.6961 -1.1113 999.9900 999.9900 -.1229 -.6434 -.8633 -.1442 -.4438 -.5876 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .0520 -1.7063 .5018 .1068 .2714 -.7010 83 GLY 83 .8874 999.9900 999.9900 999.9900 .3016 .5945 -.3049 .6724 .2380 .3891 84 ALA 84 -.9001 999.9900 999.9900 999.9900 .4419 -.2291 -.2643 .6515 .2699 -.0178 85 VAL 85 .3116 999.9900 .3968 999.9900 .6734 .4606 -.6583 .5835 .0661 .2614 86 THR 86 .2184 999.9900 1.4642 999.9900 -.3332 .4498 -.1506 .5309 .2470 .3460 87 THR 87 .0164 999.9900 .2916 999.9900 -1.3910 -.3610 -.1049 .4092 .1950 -.1557 88 MET 88 -.2651 .2906 999.9900 .9587 .3104 .3237 .4178 .5810 .5130 .3822 89 HIS 89 -.2420 -.1773 999.9900 999.9900 -.3908 -.2700 .1283 .4857 .3368 -.0392 90 VAL 90 .4077 999.9900 .1416 999.9900 .1378 .2290 -1.5339 .4240 -.3918 -.0846 91 ILE 91 .1597 -1.8577 999.9900 999.9900 -.2211 -.6397 -.6813 .5257 .0228 -.4149 92 ILE 92 -1.5698 -.0177 999.9900 999.9900 -2.8566 -1.4814 -.4848 .1651 -.1057 -.9528 93 GLN 93 -.7185 -2.6982 999.9900 1.3059 .6605 -.3626 -.2734 -.1325 -.1912 -.3094 94 ALA 94 -.9979 999.9900 999.9900 999.9900 -.7624 -.8802 .5459 .6317 .5959 -.1457 95 PRO 95 -2.7614 999.9900 999.9900 999.9900 -.6674 -1.7144 .2451 .5627 .4304 -.6553 96 VAL 96 -2.8391 999.9900 .8662 999.9900 .5521 -.4736 .0524 .5938 .3682 -.1549 97 THR 97 -2.1544 999.9900 .7650 999.9900 .1586 -.4103 -.0871 .4967 .2534 -.1642 98 GLU 98 -1.2977 .7809 999.9900 -1.0323 .2101 -.3348 .4926 .5320 .5156 -.0524 99 LYS 99 -3.5196 .4325 999.9900 .3240 -.5755 -.6029 -.4366 -.4259 -.4304 -.5539 100 GLU 100 -1.9801 .7809 999.9900 -1.0323 -2.5035 -1.1838 .0018 -.5615 -.3268 -.8825 101 LYS 101 999.9900 .8340 999.9900 .3546 999.9900 .5144 .5283 -.0591 .1927 .4025 Means: -.6395 -.3582 .0245 .2774 -.1194 -.2526 -.1033 .2905 .1258 -.1181 2.00 refined_12