1 MET 1 999.9900 -1.7864 999.9900 .9587 .4206 -.1357 .2863 .5239 .4159 .0806 2 ALA 2 -.7688 999.9900 999.9900 999.9900 .8416 .0364 .5193 .6475 .5941 .3099 3 ASP 3 -1.3478 -1.4542 999.9900 999.9900 -.1266 -.9762 .0839 .2958 .2075 -.5098 4 THR 4 .1421 999.9900 1.0667 999.9900 .5490 .5859 -.1229 .1099 .0129 .3490 5 GLY 5 -2.6716 999.9900 999.9900 999.9900 -.9224 -1.7970 -.7137 -.3979 -.5383 -1.1764 6 GLU 6 -3.2255 -.5578 999.9900 -1.0323 -1.2865 -1.5255 -.7392 -.1726 -.4087 -1.1690 7 VAL 7 -.8595 999.9900 -.0276 999.9900 -1.3636 -.7502 -.3680 .0795 -.1070 -.5078 8 GLN 8 -.3854 .6816 999.9900 1.3059 .1188 .4302 .6815 .2206 .4126 .4371 9 PHE 9 -.9952 .5902 999.9900 999.9900 .6382 .0777 .3677 .6333 .5226 .2468 10 MET 10 -.0824 -.2135 999.9900 .9587 .4206 .2709 .3635 .5945 .4982 .3402 11 LYS 11 -.5771 -1.8181 999.9900 .8261 .6340 -.0218 .0728 .3382 .2276 .0431 12 PRO 12 .3744 999.9900 999.9900 999.9900 .1827 .2786 -.1583 .4872 .2183 .2215 13 PHE 13 .0900 .1164 999.9900 999.9900 -.9498 -.2478 -.0985 .4580 .2261 -.0768 14 ILE 14 -.0022 -2.2551 999.9900 999.9900 -1.4322 -1.2298 -.0141 .4037 .2296 -.6600 15 SER 15 .8349 999.9900 -.7153 999.9900 .5740 .2312 .2616 .4867 .3929 .2884 16 GLU 16 1.0761 .8332 999.9900 -1.0323 .5112 .3470 .6046 .6217 .6146 .4357 17 LYS 17 -.4760 -2.1617 999.9900 .6506 -1.6664 -.6006 .3383 .2341 .2775 -.3472 18 SER 18 .4640 999.9900 .6576 999.9900 -.3810 .2469 .4456 .5039 .4796 .3380 19 SER 19 .6980 999.9900 -.7153 999.9900 .3425 .1084 .5511 .3926 .4586 .2537 20 LYS 20 -2.7709 -.2695 999.9900 -.0397 -2.0338 -1.0307 .4492 .5934 .5333 -.5873 21 SER 21 .1304 999.9900 -.7153 999.9900 -.1819 -.2556 .3876 .2692 .3185 -.0220 22 LEU 22 -.5127 .5655 999.9900 999.9900 -.4635 -.1369 -.9961 .1250 -.3422 -.2564 23 GLU 23 -.3890 .7809 999.9900 -1.0323 -.4821 -.2806 -.7658 .6374 .0528 -.2085 24 ILE 24 .4877 -.0414 999.9900 999.9900 .9338 .4601 .4055 .3247 .3583 .4221 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .6931 .2317 .3933 .4018 .3983 .3146 26 LEU 26 .8182 -1.4036 999.9900 999.9900 .6708 .0285 .1561 .2919 .2353 .1067 27 GLY 27 .4759 999.9900 999.9900 999.9900 .0351 .2555 .5972 .7002 .6544 .4521 28 PHE 28 -.0639 .5389 999.9900 999.9900 1.0159 .4970 .5946 .4398 .5043 .5051 29 ASN 29 .5887 -1.3461 999.9900 999.9900 .5222 -.0784 .2680 -.6490 -.2669 -.1232 30 GLU 30 .3258 -2.8418 999.9900 -1.0323 .3899 -.7896 .3825 .1869 .2684 -.4315 31 TYR 31 .3338 .2264 999.9900 999.9900 -.0463 .1713 .4594 .3064 .3701 .2559 32 PHE 32 -2.3628 -.1460 999.9900 999.9900 .5949 -.6380 .1730 -.0658 .0337 -.3613 33 PRO 33 -.1223 999.9900 999.9900 999.9900 .4949 .1863 -.9882 .2265 -.2796 -.0973 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -.7624 -.6029 -.0385 -.4134 -.2572 -.4144 35 PRO 35 .4049 999.9900 999.9900 999.9900 -.8366 -.2159 .5308 .4704 .4956 .1424 36 PHE 36 -.8715 -.7421 999.9900 999.9900 -.0075 -.5403 -.4003 .4159 .0758 -.3211 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .7618 .2604 -.3811 .5624 .1693 .1755 38 ILE 38 -2.0621 -.0414 999.9900 999.9900 .3195 -.5947 -.0129 .4509 .2577 -.2692 39 THR 39 .3976 999.9900 -.8810 999.9900 .8957 .1374 -.4834 .6217 .1612 .1101 40 VAL 40 -.0523 999.9900 -.0276 999.9900 -.9137 -.3312 -1.0027 .0926 -.3638 -.3807 41 ASP 41 -1.2415 -.5059 999.9900 999.9900 -.1266 -.6247 .1446 .5081 .3566 -.2443 42 LEU 42 -.0792 .8730 999.9900 999.9900 -.9806 -.0623 -1.1976 .4415 -.2414 -.1886 43 LEU 43 -.1196 -2.3037 999.9900 999.9900 -.9806 -1.1346 -.6357 .0026 -.2634 -.8074 44 ASP 44 -.8144 -1.7105 999.9900 999.9900 -.4783 -1.0010 .1226 .4821 .3323 -.4797 45 TYR 45 .6101 .7834 999.9900 999.9900 .5127 .6354 .4101 -.3062 -.0077 .4020 46 SER 46 -1.6374 999.9900 -.7153 999.9900 -1.3611 -1.2379 .5356 .3906 .4510 -.5575 47 GLY 47 -1.4779 999.9900 999.9900 999.9900 -.6865 -1.0822 .1594 .2331 .2004 -.4430 48 ARG 48 -.6782 .3075 999.9900 .5548 -.4506 .0577 .2540 .6360 .4768 .1683 49 SER 49 -1.0548 999.9900 .6576 999.9900 .8558 .1529 -.3960 .4798 .1149 .1085 50 TRP 50 -1.9511 -.0877 999.9900 999.9900 .7198 -.4397 .1764 .6447 .4496 -.0996 51 THR 51 .0466 999.9900 .9776 999.9900 -1.3910 -.1223 -.0235 .5729 .3244 .0365 52 VAL 52 -.3637 999.9900 .4980 999.9900 .3827 .1723 -.4036 .6387 .2044 .1504 53 ARG 53 -.5160 .7037 999.9900 .5548 -.5739 .1447 -.2336 .4960 .1920 .1408 54 MET 54 -.3206 .5321 999.9900 .9587 .0476 .3045 -1.0362 .5387 -.1175 .1200 55 LYS 55 -.1665 1.1488 999.9900 1.1993 -.4892 .5784 -.4276 .6062 .1754 .4386 56 LYS 56 -.1867 .5085 999.9900 .2495 .6805 .3003 -4.7429 .0069 -1.9722 -.4621 57 ARG 57 -1.5415 .8024 999.9900 .6901 .7064 .2695 -1.0798 .3726 -.2326 .0915 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -2.9933 -2.8324 -1.3284 .4008 -.3677 -1.6481 59 GLU 59 -.4382 -.2670 999.9900 -1.0323 -1.0906 -.7070 .2042 .3334 .2796 -.3818 60 LYS 60 -.4760 .7597 999.9900 .8416 .6805 .5295 .2983 .2026 .2425 .4498 61 VAL 61 -.0145 999.9900 -1.0788 999.9900 -.0858 -.3930 .3019 .5296 .4347 -.0695 62 PHE 62 -.2058 .1357 999.9900 999.9900 -.5721 -.2141 .1245 .4754 .3292 -.0085 63 LEU 63 -.7094 -2.3037 999.9900 999.9900 -3.2047 -2.0726 -.4091 -.0068 -.1744 -1.3267 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .7246 -1.4543 .3137 .3818 .3534 -.7335 65 VAL 65 -.7790 999.9900 -1.0788 999.9900 -1.5772 -1.1450 .1517 .4484 .3248 -.5670 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.4173 .3358 .0011 -.5927 67 TRP 67 .4280 .6993 999.9900 999.9900 .9378 .6884 -.1540 .5694 .2680 .4961 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 -1.8950 -1.3316 -.0176 -.9843 -.5815 -1.0547 69 ASN 69 .9310 -2.0766 999.9900 999.9900 -2.3288 -1.1581 -.6559 .1624 -.1786 -.7936 70 PHE 70 .6259 -2.8600 999.9900 999.9900 -.0075 -.7472 .5476 .0574 .2616 -.3273 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5258 .1644 -.0580 .5813 .3150 .2033 72 LYS 72 .8536 .2165 999.9900 -.4035 -1.4057 -.2285 .4022 .4062 .4045 -.0478 73 ASP 73 1.3227 -.5059 999.9900 999.9900 .6856 .5008 .0244 .3965 .2415 .3847 74 ASN 74 -.6931 -.0252 999.9900 999.9900 -.5831 -.4338 .2563 .3538 .3132 -.1382 75 ASN 75 -2.8943 -.4258 999.9900 999.9900 -2.3288 -1.8830 .3583 .3661 .3628 -.9849 76 LEU 76 -.7230 -2.9612 999.9900 999.9900 -.6084 -1.4308 .2801 .0964 .1729 -.7832 77 GLU 77 -1.3743 -.3402 999.9900 -1.0323 .6899 -.5142 .5202 .4478 .4780 -.1815 78 ASP 78 -.6028 -1.1348 999.9900 999.9900 .8336 -.3013 .1288 .3187 .2396 -.0913 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.3938 -.8482 .1589 .6388 .4255 -.2247 80 LYS 80 -1.2016 1.2989 999.9900 -.4035 -2.6618 -.6743 .5639 -.1528 .1458 -.4229 81 TYR 81 .4403 .2322 999.9900 999.9900 -1.3683 -.2319 -.7589 .4602 -.0478 -.1989 82 LEU 82 -.1655 -1.1684 999.9900 999.9900 .7139 -.2067 -1.0885 .3872 -.2277 -.2643 83 GLN 83 -.1966 .6816 999.9900 1.3059 .1963 .4968 -1.7093 .5063 -.4169 .1307 84 PHE 84 -.2255 .8396 999.9900 999.9900 -2.2412 -.5424 -1.9100 .6510 -.4160 -.5772 85 ILE 85 -.0022 -3.0500 999.9900 999.9900 -1.0155 -1.3559 -2.4855 -.1557 -1.1265 -1.3418 86 TYR 86 -.0287 -.1547 999.9900 999.9900 .7784 .1983 -.6750 .2475 -.1369 .0335 87 ASP 87 .1637 -.5059 999.9900 999.9900 -1.5875 -.6433 .2826 .4008 .3515 -.2493 88 ARG 88 -2.0927 .1897 999.9900 .6901 .4407 -.0165 .4448 -.9351 -.3601 -.0818 89 ASP 89 -1.5723 -1.2611 999.9900 999.9900 .5431 -.7634 -.4253 -.8188 -.6548 -.7069 90 ARG 90 -.4248 -2.3766 999.9900 .1593 .8581 -.3249 .2331 .4083 .3353 -.1405 91 THR 91 .4171 999.9900 1.4642 999.9900 .5490 .8101 -.2320 .6189 .2644 .5635 92 PHE 92 .0058 .2875 999.9900 999.9900 -.0075 .0953 -.2874 .5430 .1970 .1083 93 TYR 93 -.4658 -.6021 999.9900 999.9900 -.4027 -.4902 -.2933 .4970 .1677 -.2534 94 VAL 94 .1037 999.9900 -1.0788 999.9900 -1.0415 -.6722 .1093 .6377 .4175 -.2539 95 ILE 95 .4877 .6227 999.9900 999.9900 -.4906 .2066 .1323 .4304 .3062 .2365 96 ILE 96 .2768 .4983 999.9900 999.9900 -.0740 .2337 -.3573 .5551 .1749 .1798 97 TYR 97 -.6832 .5297 999.9900 999.9900 .5127 .1197 -1.6325 .4283 -.4304 -.1690 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.3452 -1.9158 -.6660 .1324 -.2224 -1.0913 99 HIS 99 -.5879 -.5551 999.9900 999.9900 .5967 -.1821 -.3800 .5077 .1378 -.0837 100 ASN 100 -1.9210 -.3237 999.9900 999.9900 .3587 -.6287 .3647 .4891 .4373 -.2064 101 MET 101 -2.6662 .5321 999.9900 .9587 -.8385 -.5035 -.3907 -.0043 -.1653 -.4015 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0024 .4070 .2316 .1781 Means: -.5257 -.4335 -.1864 .2656 -.2552 -.3093 -.1594 .3129 .1152 -.1615 2.00 refined_18