1 GLU 1 999.9900 -.7859 999.9900 1.1588 .7127 .3618 .4692 .5284 .5015 .4166 2 ALA 2 -1.1751 999.9900 999.9900 999.9900 .3365 -.4193 .5916 .6301 .6141 .0958 3 GLU 3 -1.5287 .4305 999.9900 .3501 .6424 -.0264 .0216 .2666 .1645 .0304 4 VAL 4 -.4842 999.9900 .2799 999.9900 .6503 .1487 -.2133 .5896 .2551 .1645 5 HIS 5 -3.0884 .4588 999.9900 999.9900 .5967 -.6776 .5234 .6383 .5904 -.1742 6 ASN 6 -.0480 -.1227 999.9900 999.9900 -.1777 -.1161 .4040 .4458 .4283 .1003 7 GLN 7 -.3854 .5350 999.9900 4.2763 -.4029 1.0057 -.6042 .3323 -.0579 .6252 8 LEU 8 -.0766 -1.9980 999.9900 999.9900 .3648 -.5699 -.0728 .4157 .2122 -.2734 9 GLU 9 -.5440 1.1195 999.9900 -1.0323 .3568 -.0250 -1.5061 .3487 -.4242 -.2096 10 ILE 10 .4877 .6227 999.9900 999.9900 -.1449 .3219 -.2830 .6024 .2335 .2570 11 LYS 11 -.2345 .1966 999.9900 .2495 -.5755 -.0229 -.6812 .3924 -.0549 -.0576 12 PHE 12 -.2560 .8396 999.9900 999.9900 .5949 .3928 -.0556 .6612 .3625 .3568 13 ARG 13 -.7228 -2.8571 999.9900 .9503 -.7163 -.4791 -.0895 .2190 .0904 -.3237 14 LEU 14 -.6961 -1.4996 999.9900 999.9900 -.3982 -.8646 .4366 .5799 .5202 -.3155 15 THR 15 .1314 999.9900 -.8810 999.9900 .6112 -.0461 .4539 .5733 .5235 .1778 16 ASP 16 .1806 -.9533 999.9900 999.9900 .8104 .0126 .3524 .5536 .4697 .1887 17 GLY 17 .8709 999.9900 999.9900 999.9900 -.2551 .3079 .2767 .6930 .5080 .3964 18 SER 18 .1787 999.9900 -.7153 999.9900 .8558 .1064 .1709 .3489 .2747 .1678 19 ASP 19 -1.3478 -2.4630 999.9900 999.9900 .0868 -1.2413 -.1396 .6258 .3069 -.6476 20 ILE 20 .0813 .6227 999.9900 999.9900 .4509 .3850 .2343 .5314 .4076 .3841 21 GLY 21 -1.7079 999.9900 999.9900 999.9900 -.1350 -.9215 .5646 .4591 .5060 -.2048 22 PRO 22 .6201 999.9900 999.9900 999.9900 .4021 .5111 .2620 .3473 .3117 .4078 23 LYS 23 -.8010 -1.9682 999.9900 -.4035 .2547 -.6643 -2.0745 -1.0500 -1.4769 -.9209 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .4419 -.2936 -.7117 .4065 -.0594 -.2231 25 PHE 25 -.0168 .5589 999.9900 999.9900 -1.2178 -.2252 -.4495 .1743 -.0857 -.1902 26 PRO 26 .5449 999.9900 999.9900 999.9900 .7618 .6534 .3912 .5962 .5108 .5735 27 ASP 27 .1149 -.9304 999.9900 999.9900 .4469 -.1229 .4291 .5921 .5242 .1305 28 ALA 28 -.4579 999.9900 999.9900 999.9900 .0817 -.1881 .2511 .6049 .4575 .1199 29 THR 29 -.3748 999.9900 .4804 999.9900 .4476 .1844 -.0125 .3721 .2119 .1825 30 THR 30 -.1839 999.9900 -.2947 999.9900 -.6102 -.3629 .2407 .6750 .4940 -.0346 31 VAL 31 -.2252 999.9900 .4980 999.9900 .1378 .1369 .5684 .5356 .5493 .3029 32 SER 32 .7360 999.9900 -.0289 999.9900 .8558 .5210 .4621 .6148 .5512 .5280 33 ALA 33 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .6071 .6744 .6464 .2974 34 LEU 34 .9913 .3419 999.9900 999.9900 -.6084 .2416 -.0371 .0857 .0345 .1547 35 LYS 35 1.2214 .9554 999.9900 1.0897 .6340 .9981 -.4621 -.0180 -.2030 .6443 36 GLU 36 .6116 .6194 999.9900 -1.0323 -.3984 -.0499 .5231 .6674 .6073 .1651 37 THR 37 1.1372 999.9900 .7650 999.9900 .2504 .7175 .3311 .6543 .5196 .6276 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .6959 .2211 .2566 .5643 .4361 .2969 39 ILE 39 1.0067 -.2247 999.9900 999.9900 -1.2029 -.1403 .2705 .4655 .3842 .0630 40 SER 40 .6980 999.9900 -.7153 999.9900 .5215 .1680 .5318 .5965 .5695 .3265 41 GLU 41 -1.0162 1.2631 999.9900 -1.0323 1.0761 .0727 -.3291 .5856 .2045 .0912 42 TRP 42 -.2197 -.3018 999.9900 999.9900 -.1614 -.2276 .5082 .3830 .4351 .0416 43 PRO 43 -2.0489 999.9900 999.9900 999.9900 -.1935 -1.1212 .4379 .5329 .4933 -.3179 44 ARG 44 .2784 .6123 999.9900 .5548 .6017 .5204 .4678 .5428 .5116 .5161 45 GLU 45 -.4919 .6653 999.9900 -1.0323 -.6780 -.3842 .3676 .3999 .3864 -.1282 46 LYS 46 -1.5497 -2.4344 999.9900 .5761 -.3378 -.6340 -.5274 .6616 .1662 -.4337 47 GLU 47 -3.2255 1.1195 999.9900 -1.0323 .3899 -.6871 -1.0619 .3358 -.2466 -.5791 48 ASN 48 -1.1452 .9797 999.9900 999.9900 .3587 .0644 -.8027 -.2842 -.5002 -.1787 49 GLY 49 -1.5291 999.9900 999.9900 999.9900 .9364 -.2963 -.6281 .2022 -.1668 -.2546 50 PRO 50 -2.8996 999.9900 999.9900 999.9900 -.6674 -1.7835 .0193 .2927 .1788 -.8138 51 LYS 51 -3.5196 .8596 999.9900 .9771 .3573 -.0697 .4542 .6046 .5420 .1015 52 THR 52 -.4146 999.9900 .7650 999.9900 -1.3910 -.3469 .3417 .4386 .3982 -.0521 53 VAL 53 -.1888 999.9900 -1.0788 999.9900 .5258 -.2472 -.0939 -.1514 -.1274 -.1974 54 LYS 54 -.0957 1.2989 999.9900 .3546 -.6710 .2483 .2465 .6153 .4616 .3005 55 GLU 55 -1.0469 .5971 999.9900 .3501 .2491 .0374 .2500 .4276 .3536 .1378 56 VAL 56 -.0288 999.9900 .4980 999.9900 .6503 .3732 .0215 .5780 .3461 .3438 57 LYS 57 -.2512 1.1488 999.9900 1.2852 .8457 .8628 .0374 .6669 .4046 .7169 58 LEU 58 -.0977 -1.6462 999.9900 999.9900 .1315 -.5375 -.4116 .5194 .1315 -.3009 59 ILE 59 .5210 .6122 999.9900 999.9900 .9338 .6890 -.5227 .4778 .0609 .4044 60 SER 60 -.3484 999.9900 -.7153 999.9900 .5740 -.1633 -.0682 .4765 .2495 -.0163 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .4999 -.8547 .4925 .4886 .4902 -.1821 62 GLY 62 .7683 999.9900 999.9900 999.9900 .4101 .5892 .4941 .6877 .6016 .5900 63 LYS 63 -.1867 .0632 999.9900 1.0822 -.5755 .2931 -.2500 .4721 .1712 .2411 64 VAL 64 -.9305 999.9900 .4980 999.9900 -2.9040 -1.1122 -.0022 .3483 .2023 -.5981 65 LEU 65 -.2717 .8730 999.9900 999.9900 .7348 .4454 .4842 .6185 .5625 .4877 66 GLU 66 -.5440 -2.8418 999.9900 -1.0323 -1.8950 -1.5783 .3146 -.3506 -.0735 -1.0582 67 ASN 67 .6639 -.2320 999.9900 999.9900 -.2632 .0563 -.2901 -.0833 -.1695 -.0409 68 SER 68 .4341 999.9900 -.7153 999.9900 .5215 .0801 .3417 .4266 .3912 .2017 69 LYS 69 -.4232 -.4196 999.9900 -.4035 -.2707 -.3841 .5388 .4352 .4784 -.1352 70 THR 70 -.2569 999.9900 .0483 999.9900 -.6102 -.2729 .5280 .4234 .4670 .0265 71 VAL 71 .5660 999.9900 .3968 999.9900 .0545 .3391 .5372 .4597 .4920 .4028 72 LYS 72 .7090 .8340 999.9900 .6177 .5595 .6676 .6271 .0290 .2782 .5706 73 ASP 73 1.1285 -.5059 999.9900 999.9900 .5121 .3782 .5941 .5388 .5619 .4535 74 TYR 74 -.4151 .2608 999.9900 999.9900 .3421 .0626 .5992 .5991 .5992 .2772 75 ARG 75 -.5160 -2.8571 999.9900 .1593 .4407 -.5228 -.4954 .4752 .0708 -.3763 76 SER 76 -.4678 999.9900 -.7153 999.9900 .6235 -.1865 -.4219 .1864 -.0671 -.1590 77 PRO 77 -3.3827 999.9900 999.9900 999.9900 .0500 -1.6664 -.3739 .0354 -.1351 -.9178 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .3827 -1.6790 -.3158 .3820 .0913 -.9942 79 SER 79 -.3251 999.9900 -.0289 999.9900 .3749 .0070 .3812 .4810 .4394 .1766 80 ASN 80 -.2263 .2165 999.9900 999.9900 .5588 .1830 .1050 .5649 .3733 .2438 81 LEU 81 -.1625 .5280 999.9900 999.9900 -2.5031 -.7125 -5.6505 .4150 -2.1123 -1.4746 82 ALA 82 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 -1.9419 -.2641 -.9632 -.9533 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .0036 -1.7414 -1.1864 .3636 -.3253 -1.0764 84 ALA 84 -.8335 999.9900 999.9900 999.9900 .8018 -.0159 .0329 .5277 .3216 .1322 85 VAL 85 -.2674 999.9900 -1.0788 999.9900 .6734 -.2242 -1.4058 .2175 -.4589 -.3722 86 THR 86 .2184 999.9900 .2916 999.9900 .6695 .3932 -.8890 .1088 -.3069 .0799 87 THR 87 .4909 999.9900 1.1473 999.9900 .1586 .5989 -.3858 .6590 .2237 .4140 88 MET 88 -.1902 .8879 999.9900 .9587 -.3043 .3380 -.1584 .5326 .2447 .2877 89 HIS 89 -.2681 -.0314 999.9900 999.9900 -.3908 -.2301 -.3173 .6008 .2183 -.0813 90 VAL 90 -.0288 999.9900 -1.0788 999.9900 .6503 -.1524 -1.9142 .0367 -.7762 -.4669 91 ILE 91 .0718 -1.6252 999.9900 999.9900 -1.0155 -.8563 -1.5001 .1966 -.5104 -.7745 92 ILE 92 -.8627 -1.8577 999.9900 999.9900 -1.2029 -1.3077 -.6626 .5985 .0730 -.7975 93 GLN 93 -1.2769 1.2376 999.9900 1.3059 -.5521 .1786 -1.4615 .5565 -.2843 -.0318 94 ALA 94 -.8937 999.9900 999.9900 999.9900 -.1129 -.5033 -.1859 .1556 .0133 -.2592 95 PRO 95 .0321 999.9900 999.9900 999.9900 -.8366 -.4023 -.1652 .0019 -.0677 -.2420 96 VAL 96 -2.8391 999.9900 -1.0788 999.9900 -.3121 -1.4100 -.2628 .1370 -.0296 -.8712 97 THR 97 -3.2663 999.9900 -.2947 999.9900 -1.0006 -1.5205 -.8514 -.1778 -.4585 -1.1182 98 GLU 98 -1.4314 .8332 999.9900 -1.0323 .3899 -.3101 .1681 .3431 .2702 -.1216 99 LYS 99 -.4760 1.1488 999.9900 .2495 .6576 .3659 .0798 .0751 .0771 .2835 100 GLU 100 -3.2255 .8332 999.9900 .3501 .2865 -.4389 .3449 .2210 .2726 -.1983 101 LYS 101 999.9900 -.2178 999.9900 .4405 999.9900 .2211 .4465 .2598 .3398 .2739 Means: -.5534 -.0836 -.2189 .3882 .0541 -.1317 -.1318 .3859 .1695 -.0318 2.00 refined_19