1 MET 1 999.9900 .5321 999.9900 .9587 .7725 .7544 .2207 .6437 .4514 .6255 2 ALA 2 -.9903 999.9900 999.9900 999.9900 .6227 -.1838 -.2289 .5222 .2092 -.0186 3 ASP 3 -.9297 -.9533 999.9900 999.9900 -.6624 -.8484 -.5192 .3056 -.0381 -.5518 4 THR 4 -2.1544 999.9900 .6346 999.9900 .4476 -.3574 -.8275 .2761 -.1837 -.3247 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 -.3452 -1.9158 -7.5474 .1963 -3.2453 -2.7957 6 GLU 6 -2.8104 -2.8418 999.9900 -1.0323 .3899 -1.5737 -.8535 -.3039 -.5329 -1.2420 7 VAL 7 .0815 999.9900 -.2457 999.9900 -1.3636 -.5093 -2.1927 .3165 -.7290 -.6808 8 GLN 8 -.3746 .6816 999.9900 1.3059 .7055 .5796 -.8642 .2440 -.2178 .2830 9 PHE 9 .2240 .1164 999.9900 999.9900 -.0962 .0814 .1321 .5601 .3817 .1873 10 MET 10 -.2520 .2906 999.9900 .9587 .6113 .4022 .0969 .6517 .4205 .3929 11 LYS 11 -.1665 .0381 999.9900 .2495 -2.6618 -.4582 .3547 .5365 .4607 -.2000 12 PRO 12 .0120 999.9900 999.9900 999.9900 -.5244 -.2562 -.2509 .5002 .1873 -.0658 13 PHE 13 -.0400 -.1118 999.9900 999.9900 .1482 -.0012 .4037 .2227 .2981 .1246 14 ILE 14 -.2299 .6227 999.9900 999.9900 -2.1444 -.5839 .2908 .5022 .4141 -.1917 15 SER 15 .1589 999.9900 .8786 999.9900 .8558 .6311 .2841 .5242 .4241 .5403 16 GLU 16 .1025 1.1195 999.9900 -1.0323 -.7952 -.1514 -.0580 .5721 .3096 -.0152 17 LYS 17 -2.0221 1.1488 999.9900 -.4035 -.3378 -.4036 .5128 .3545 .4204 -.1644 18 SER 18 .1386 999.9900 -.7153 999.9900 -.0193 -.1987 .4395 .5859 .5249 .0859 19 SER 19 .6980 999.9900 -.7153 999.9900 .7576 .2467 .3154 .3752 .3503 .2862 20 LYS 20 -2.5748 -1.9682 999.9900 .6906 .3573 -.5609 .1921 .5092 .3771 -.3005 21 SER 21 .0280 999.9900 -.0289 999.9900 .3425 .1138 .2779 .2515 .2625 .1742 22 LEU 22 .0986 .3099 999.9900 999.9900 .4774 .2953 .1832 .2985 .2505 .2735 23 GLU 23 -.7347 -.9977 999.9900 .3501 .7566 -.1564 -.5772 .5405 .0748 -.1104 24 ILE 24 .0718 .6227 999.9900 999.9900 .5300 .4082 .1870 .4112 .3178 .3645 25 PRO 25 .3725 999.9900 999.9900 999.9900 -1.6867 -.6571 .2378 .5565 .4237 -.1300 26 LEU 26 .0926 -1.4036 999.9900 999.9900 .2713 -.3466 .0505 .1841 .1284 -.1610 27 GLY 27 .9829 999.9900 999.9900 999.9900 .6270 .8049 .4471 .6566 .5635 .6784 28 PHE 28 .0766 .5902 999.9900 999.9900 .1482 .2716 .5803 .5874 .5845 .3965 29 ASN 29 .9310 .1037 999.9900 999.9900 .7518 .5955 .3534 .1066 .2095 .4493 30 GLU 30 .0468 .7809 999.9900 -1.0323 .1264 -.0196 .4618 .4703 .4668 .1423 31 TYR 31 .3338 .2884 999.9900 999.9900 .6556 .4259 .5219 .6090 .5727 .4817 32 PHE 32 -2.5364 -.1460 999.9900 999.9900 -2.2412 -1.6412 .0878 .1413 .1190 -.9389 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 -.0243 -.9952 -2.1386 .1194 -.8214 -1.0024 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.0083 -.7258 .3420 -.1068 .0802 -.3041 35 PRO 35 -.0828 999.9900 999.9900 999.9900 -2.3298 -1.2063 -.7719 .1094 -.2578 -.7688 36 PHE 36 -.0400 -.6160 999.9900 999.9900 -.9498 -.5352 -1.1337 .4732 -.1964 -.4533 37 PRO 37 .4197 999.9900 999.9900 999.9900 .7618 .5908 -.4980 .5303 .1019 .3035 38 ILE 38 -1.9699 -.0177 999.9900 999.9900 1.0081 -.3265 .1898 .5038 .3730 -.0572 39 THR 39 .3976 999.9900 -.8810 999.9900 -1.0006 -.4947 -.4984 .4247 .0401 -.3116 40 VAL 40 -.3909 999.9900 .7395 999.9900 -.3121 .0122 -.1120 -.0616 -.0826 -.0274 41 ASP 41 -1.5723 -1.1062 999.9900 999.9900 .5121 -.7221 .1415 .6051 .4119 -.2840 42 LEU 42 -.0536 .8730 999.9900 999.9900 .6486 .4893 -.5206 .4376 .0384 .2770 43 LEU 43 .0762 -3.3760 999.9900 999.9900 -.2242 -1.1747 -1.1209 .1063 -.4051 -.9077 44 ASP 44 -.6569 -.8657 999.9900 999.9900 -.2530 -.5919 .4146 .5680 .5041 -.1586 45 TYR 45 .0017 -.3906 999.9900 999.9900 .7393 .1168 .4176 .2392 .3135 .2015 46 SER 46 .4341 999.9900 .6576 999.9900 .6931 .5949 .5662 .5868 .5782 .5876 47 GLY 47 -.5009 999.9900 999.9900 999.9900 .2782 -.1113 .1766 .6928 .4634 .1617 48 ARG 48 -.6502 .3075 999.9900 .5548 -.2445 .1045 -.0199 .6388 .3643 .1630 49 SER 49 -.2734 999.9900 .8786 999.9900 .5215 .3756 -.6009 .5867 .0918 .2225 50 TRP 50 -.1712 -.0403 999.9900 999.9900 -.9146 -.3753 -.0527 .5117 .2765 -.1334 51 THR 51 -1.0713 999.9900 -.8810 999.9900 -1.3910 -1.1144 -1.7011 -.2226 -.8386 -1.0534 52 VAL 52 -.8595 999.9900 -.5532 999.9900 .5776 -.2784 -.7373 .4589 -.0395 -.2227 53 ARG 53 -.5614 .9821 999.9900 .7862 -1.7309 .0524 -.7160 .1639 -.2027 -.0414 54 MET 54 -.0824 .5321 999.9900 .9587 .9122 .5801 -.0872 .4209 .2092 .4424 55 LYS 55 -.8267 .8340 999.9900 1.4618 -.3378 .5186 -.4505 .6512 .1921 .3991 56 LYS 56 -.1867 .8340 999.9900 .7184 -.1497 .3869 -4.9672 .2470 -1.9256 -.3980 57 ARG 57 -1.4842 .8164 999.9900 .1593 -.0022 -.0703 -.9953 .5284 -.1065 -.1169 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 -.3452 -.7695 -1.9888 .6492 -.5233 -.7197 59 GLU 59 -.8947 -.7564 999.9900 -1.0323 -1.8950 -1.1446 -.1589 .6195 .2952 -.6863 60 LYS 60 -.2512 .8596 999.9900 .8261 .7460 .6013 .5364 .5584 .5492 .5859 61 VAL 61 -.0951 999.9900 .8662 999.9900 -.3121 .1530 -.0590 .5241 .2811 .1848 62 PHE 62 -.0017 .1033 999.9900 999.9900 -2.2412 -.7132 -.1561 .2692 .0920 -.4053 63 LEU 63 -1.0430 -1.4996 999.9900 999.9900 -2.5031 -1.6819 -.7031 -.7128 -.7087 -1.2923 64 THR 64 -1.1887 999.9900 -.8810 999.9900 -1.0006 -1.0234 -.2912 -.6178 -.4817 -.7959 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -2.9040 -1.7300 -.7343 .1177 -.2373 -1.1613 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -2.9933 -2.4687 -.1990 -1.2260 -.7696 -1.5906 67 TRP 67 .2222 -.3018 999.9900 999.9900 -.4740 -.1845 .4535 -.0549 .1570 -.0310 68 GLU 68 .8604 .7809 999.9900 -1.0323 .4218 .2577 .3129 .6116 .4871 .3259 69 ASN 69 1.1117 -1.3461 999.9900 999.9900 .5588 .1082 -1.0333 .3993 -.1976 -.0619 70 PHE 70 1.2230 .5747 999.9900 999.9900 -1.2178 .1933 .1508 .2552 .2117 .1972 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .1137 .5916 .3925 .2782 72 LYS 72 .8536 .0208 999.9900 .6177 -1.0384 .2143 .4099 .4834 .4528 .2807 73 ASP 73 .2706 -1.1062 999.9900 999.9900 .5431 -.0975 .1481 .4769 .3399 .0665 74 ASN 74 .0279 .1037 999.9900 999.9900 .1585 .0967 .2191 .2205 .2199 .1459 75 ASN 75 -2.8943 .1235 999.9900 999.9900 .3587 -.8040 .0836 .3389 .2325 -.3979 76 LEU 76 -.3075 .8730 999.9900 999.9900 .4774 .3476 -.1067 .6315 .3240 .3136 77 GLU 77 -1.3743 -.4402 999.9900 -1.0323 .7127 -.5335 .1919 .5223 .3847 -.2366 78 ASP 78 -.1718 -1.0518 999.9900 999.9900 .5733 -.2168 .0252 .5937 .3568 -.0063 79 GLY 79 -.6631 999.9900 999.9900 999.9900 -1.0172 -.8401 .4105 .6539 .5457 -.1540 80 LYS 80 -.7069 -2.1617 999.9900 .5131 .4783 -.2728 -.1505 .2857 .1040 -.1755 81 TYR 81 .5758 .2322 999.9900 999.9900 .6984 .5022 -1.3807 .5359 -.2627 .1323 82 LEU 82 .1006 -1.9980 999.9900 999.9900 .4774 -.4733 -1.1461 .5539 -.1544 -.4024 83 GLN 83 -.1966 .6267 999.9900 1.3059 .1963 .4831 -.4221 .3032 .0010 .3022 84 PHE 84 .0900 .1608 999.9900 999.9900 -.4285 -.0592 .0669 .5767 .3643 .0932 85 ILE 85 .1597 -3.0500 999.9900 999.9900 -1.0155 -1.3019 -.0553 .2898 .1460 -.7343 86 TYR 86 .0686 .4609 999.9900 999.9900 -.5629 -.0112 .5592 .4864 .5167 .2024 87 ASP 87 .2445 -2.1980 999.9900 999.9900 -2.9873 -1.6469 .3266 .1418 .2188 -.8945 88 ARG 88 -2.2658 -2.8571 999.9900 .1593 -1.3564 -1.2321 -.3976 -.9760 -.7350 -1.0763 89 ASP 89 -1.7533 -1.0010 999.9900 999.9900 .8336 -.6402 -1.9172 -.1999 -.9155 -.8076 90 ARG 90 -2.5097 1.0644 999.9900 .6901 .8581 .1586 .4135 .4884 .4572 .2421 91 THR 91 -.0150 999.9900 -.8810 999.9900 .1092 -.2622 .1356 .4403 .3133 -.0422 92 PHE 92 -.1586 .1608 999.9900 999.9900 -.3041 -.1006 -.4857 .3277 -.0112 -.0920 93 TYR 93 -.1387 .7421 999.9900 999.9900 -1.0119 -.1362 -.2297 .4392 .1605 -.0398 94 VAL 94 .3372 999.9900 -1.0788 999.9900 -.1923 -.3113 .0437 .5320 .3285 -.0716 95 ILE 95 .3408 -.0177 999.9900 999.9900 .4912 .2714 -.4339 .3784 .0399 .1517 96 ILE 96 -.1408 -2.2551 999.9900 999.9900 -.2211 -.8723 -.1059 .5330 .2668 -.4380 97 TYR 97 -.0819 .5297 999.9900 999.9900 -.2672 .0602 -.4855 .5000 .0894 .0390 98 GLY 98 -1.1938 999.9900 999.9900 999.9900 .6890 -.2524 -1.0693 .3622 -.2740 -.3030 99 HIS 99 -.1228 .0958 999.9900 999.9900 -.6493 -.2254 .5388 .6020 .5757 .0929 100 ASN 100 -1.1452 .2165 999.9900 999.9900 -2.3288 -1.0859 -.1658 .4703 .2052 -.5906 101 MET 101 -2.2339 .5321 999.9900 2.6340 .3104 .3106 .5423 .5515 .5477 .3894 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 .4460 .4925 .4725 .7434 Means: -.4579 -.2346 -.1617 .4186 -.2528 -.2264 -.2808 .3547 .0887 -.1279 2.00 refined_19