1 ASP 1 999.9900 -1.3328 999.9900 999.9900 -.7687 -1.0507 .3641 .1824 .2650 -.3888 2 PRO 2 .1313 999.9900 999.9900 999.9900 .7618 .4466 .4405 .5913 .5285 .4812 3 ASN 3 .3666 -1.0148 999.9900 999.9900 -.1777 -.2753 .5933 .4044 .4831 .0344 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .5367 -1.4640 -.1140 -.1847 -.1552 -.8067 5 GLU 5 -.9870 .6194 999.9900 1.1588 .3899 .2953 -.7612 .6006 .0332 .1701 6 PHE 6 -1.3242 -.1636 999.9900 999.9900 .0736 -.4714 -.2053 .5676 .2456 -.2104 7 ASP 7 -.3726 -1.2611 999.9900 999.9900 .2216 -.4707 .4966 -.0204 .1950 -.1872 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .5793 .2148 .6528 .4838 .5542 .3916 9 ASP 9 .3915 -.7325 999.9900 999.9900 .0868 -.0847 .2106 .4793 .3674 .0871 10 LEU 10 -.2022 -1.5832 999.9900 999.9900 .1315 -.5513 .2399 .4335 .3528 -.1961 11 PRO 11 .4011 999.9900 999.9900 999.9900 .1187 .2599 .4036 .3881 .3946 .3279 12 GLY 12 .9290 999.9900 999.9900 999.9900 .8016 .8653 .4577 .5754 .5230 .6909 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.4997 .1586 .4188 .4910 .4589 .3067 14 GLY 14 .5072 999.9900 999.9900 999.9900 .4303 .4687 .3723 .6457 .5242 .4889 15 LEU 15 -.8032 .8730 999.9900 999.9900 -1.0998 -.3433 -.5483 .4562 .0377 -.2244 16 HIS 16 -1.4902 -2.4183 999.9900 999.9900 .1122 -1.2654 -.0780 .5755 .3032 -.6598 17 ARG 17 -1.2588 -.4122 999.9900 1.4811 -.2445 .2093 -.8587 .6520 .0225 .1200 18 CYS 18 .0411 999.9900 .1296 999.9900 .4013 .1907 .1208 .4266 .2992 .2239 19 LEU 19 .8475 .8730 999.9900 999.9900 .5293 .7499 .4673 .6228 .5580 .6680 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .5367 .2135 .6546 .5976 .6214 .4198 21 CYS 21 -.9252 999.9900 .8629 999.9900 .6355 .1910 .4019 .2608 .3196 .2472 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.9190 -1.5641 .4607 .3992 .4248 -.5671 23 ARG 23 -.6502 .0264 999.9900 .7862 .6379 .3173 -.2730 .6228 .2495 .2766 24 TYR 24 .0406 .2322 999.9900 999.9900 .2066 .1598 -1.6887 .2769 -.5421 -.1865 25 PHE 25 .1097 .5589 999.9900 999.9900 -.0962 .1908 -.0961 .6422 .3345 .2237 26 ILE 26 .4667 -.1544 999.9900 999.9900 .3195 .2106 .0864 .4691 .3096 .2375 27 ASP 27 -.8891 -.0652 999.9900 999.9900 -.1266 -.3603 .2621 .3601 .3193 -.0917 28 SER 28 .8651 999.9900 .3727 999.9900 .3088 .5155 .3513 .5154 .4470 .4827 29 THR 29 1.1372 999.9900 .0483 999.9900 .1092 .4316 .2650 .5808 .4492 .4281 30 ASN 30 1.1272 -.4258 999.9900 999.9900 .5222 .4079 .3148 .6574 .5147 .4392 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .1315 -.7511 -.6767 .1594 -.1890 -.5541 32 LYS 32 1.2214 .8596 999.9900 .1731 -.3378 .4179 .4698 .6049 .5486 .4520 33 THR 33 .8748 999.9900 .7650 999.9900 -.1848 .4850 .3453 .6111 .5004 .4823 34 HIS 34 .9933 -.2881 999.9900 999.9900 .5185 .4079 .0523 .2840 .1875 .3120 35 PHE 35 -.3437 -.7766 999.9900 999.9900 .3981 -.2408 .6830 -.0474 .2569 -.0173 36 ARG 36 -.0882 .8164 999.9900 2.3311 -2.3710 .6039 .6233 .2489 .4049 .5559 37 SER 37 -2.0349 999.9900 -.7153 999.9900 -.3096 -1.0199 -.4373 .4018 .0522 -.6191 38 LYS 38 .4938 -.4196 999.9900 .7184 -.4892 .2044 .6511 .2896 .4402 .2804 39 ASP 39 .8349 -.5059 999.9900 999.9900 .6310 .3200 .2099 .5186 .3900 .3377 40 HIS 40 .6603 -.9211 999.9900 999.9900 -1.6368 -.6325 -1.6798 .3400 -.5016 -.6475 41 LYS 41 .9480 .4914 999.9900 .6177 -.8987 .3552 .0523 -.1255 -.0514 .2433 42 LYS 42 1.0838 -.1469 999.9900 1.2081 .1791 .7064 .4113 .4763 .4492 .6314 43 ARG 43 .8469 .7158 999.9900 .1593 .1299 .4023 -.9348 .6753 .0044 .2503 44 LEU 44 .8442 -.8335 999.9900 999.9900 -.7775 -.2556 .5728 .5461 .5572 .0704 45 LYS 45 1.2214 1.1488 999.9900 .5368 .6576 .8203 .6549 .5202 .5763 .7538 46 GLN 46 .0311 .8911 999.9900 1.3059 .6605 .7222 .1582 .5967 .4140 .6073 47 LEU 47 -.2213 .5315 999.9900 999.9900 .4774 .2625 .6383 .6409 .6398 .4134 48 SER 48 -1.3191 999.9900 .3727 999.9900 -.5437 -.4967 .0787 .4747 .3097 -.1873 49 VAL 49 -1.0844 999.9900 .1416 999.9900 .7810 -.0539 -.1184 .5198 .2539 .0479 50 GLU 50 -1.2977 1.1195 999.9900 -1.0323 .5923 -.1546 .1601 -.4532 -.1977 -.1519 51 PRO 51 -1.9661 999.9900 999.9900 999.9900 .1827 -.8917 -.0511 .5619 .3065 -.3182 52 TYR 52 .2568 .5297 999.9900 999.9900 .6984 .4950 -.1345 .4907 .2302 .3682 53 SER 53 -2.7213 999.9900 -.0289 999.9900 .5215 -.7429 .2175 .5070 .3864 -.3008 54 GLN 54 -2.2003 .6816 999.9900 1.3059 .3348 .0305 -.0512 .2939 .1501 .0608 55 GLU 55 -3.2255 -2.8418 999.9900 -1.0323 .3899 -1.6775 .1302 -1.0138 -.5371 -1.2656 56 GLU 56 -.9729 -2.8418 999.9900 -1.0323 -.1867 -1.2584 .1211 -.0045 .0478 -.8195 57 ALA 57 -3.4646 999.9900 999.9900 999.9900 .0817 -1.6915 -.0009 .3905 .2274 -.7483 58 GLU 58 -2.8104 -.3719 999.9900 -1.0323 .3223 -.9731 -.1055 .4309 .2074 -.5945 59 ARG 59 -1.9585 -.0184 999.9900 .9503 .6728 .1193 -.0726 -.2101 -.1529 .0448 60 ALA 60 -2.3529 999.9900 999.9900 999.9900 .5367 -.9081 .4377 .6495 .5613 -.1822 61 ALA 61 -2.1491 999.9900 999.9900 999.9900 .3365 -.9063 -.2202 .4986 .1991 -.3835 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 -.0291 -1.7577 .6665 .4015 .5193 -.6119 63 MET 63 -2.6662 .5321 999.9900 .9587 -.8385 -.5035 -.1463 .2688 .0959 -.3152 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7039 -1.3912 -.3944 .6206 .1695 -.6391 65 SER 65 -3.7598 999.9900 .8786 999.9900 .8922 -.6630 .0095 .6367 .3754 -.2686 66 TYR 66 -1.9627 .7834 999.9900 999.9900 .2066 -.3242 -3.0954 .0860 -1.2396 -.7964 67 VAL 67 999.9900 999.9900 .3968 999.9900 999.9900 .3968 -.0611 .2356 .1084 .1904 Means: -.6296 -.2591 .2931 .6616 .1053 -.1083 .0350 .3842 .2379 .0162 2.00 refined_2