1 MET 1 999.9900 -.1452 999.9900 .9587 .4206 .4114 .3098 .6555 .4984 .4399 2 ALA 2 -1.8806 999.9900 999.9900 999.9900 .2671 -.8067 .3084 .6638 .5157 -.1603 3 ASP 3 -1.2094 -.5059 999.9900 999.9900 .5431 -.3907 -.2450 .5526 .2202 -.1729 4 THR 4 -.0953 999.9900 -.2947 999.9900 -.7236 -.3712 .1422 .1695 .1581 -.1604 5 GLY 5 -2.2927 999.9900 999.9900 999.9900 -.5578 -1.4252 -5.3204 -.1104 -2.4260 -2.0703 6 GLU 6 -.3633 -.5578 999.9900 -1.0323 -1.2865 -.8100 -.6749 .4643 -.0104 -.5751 7 VAL 7 .0764 999.9900 -.0276 999.9900 .7394 .2628 -.8512 .3895 -.1274 .0653 8 GLN 8 -.4424 -.6527 999.9900 1.3059 -.2736 -.0157 -2.0245 .3592 -.6340 -.2880 9 PHE 9 .2406 .8308 999.9900 999.9900 .1482 .4065 -.3409 -.1151 -.2092 .1527 10 MET 10 -.0824 -.2135 999.9900 .9587 .6950 .3395 .4657 .5699 .5265 .3989 11 LYS 11 -.4160 .0632 999.9900 -.4035 -2.6618 -.7643 .4823 .2260 .3328 -.4448 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .7618 .0191 -.1264 .3487 .1508 .0651 13 PHE 13 -.8715 .7639 999.9900 999.9900 .8956 .2627 .4856 .5814 .5415 .3710 14 ILE 14 -.0918 .6227 999.9900 999.9900 -1.2029 -.2240 .0785 .3872 .2586 -.0413 15 SER 15 .5661 999.9900 -.0289 999.9900 .7151 .4174 .5614 .5885 .5772 .4805 16 GLU 16 .8733 .7809 999.9900 -1.0323 1.0761 .4245 .5626 .5742 .5694 .4725 17 LYS 17 -2.0221 -1.6955 999.9900 .1731 -2.0338 -1.0811 -.3739 -.4612 -.4248 -.8915 18 SER 18 .4640 999.9900 -.7153 999.9900 .5740 .1075 .2714 .5260 .4199 .2240 19 SER 19 .7489 999.9900 -.7153 999.9900 .5740 .2025 .4729 .6015 .5479 .3364 20 LYS 20 -1.5887 .1550 999.9900 1.2407 .8457 .3787 .3951 .6137 .5226 .4146 21 SER 21 .0280 999.9900 .3727 999.9900 .1994 .2000 -.4518 .4484 .0733 .1193 22 LEU 22 -.2787 -1.8410 999.9900 999.9900 .5787 -.5137 -.6557 .1720 -.1729 -.4049 23 GLU 23 -1.3222 -.4402 999.9900 .3501 1.0761 -.0840 -.0484 .2750 .1403 -.0182 24 ILE 24 -.3198 -.0177 999.9900 999.9900 -1.0155 -.4510 .6001 .5680 .5814 -.0370 25 PRO 25 .5449 999.9900 999.9900 999.9900 .4496 .4973 .5693 .4750 .5142 .5097 26 LEU 26 .2872 -1.4996 999.9900 999.9900 .7139 -.1662 .6057 .5010 .5446 .1216 27 GLY 27 .4759 999.9900 999.9900 999.9900 .4883 .4821 .5878 .6812 .6397 .5583 28 PHE 28 -.5116 .5389 999.9900 999.9900 .7193 .2489 .4440 .4040 .4207 .3189 29 ASN 29 .6990 -.4258 999.9900 999.9900 .9106 .3946 -.0750 .5622 .2967 .3342 30 GLU 30 .0468 .8332 999.9900 -1.0323 .3223 .0425 .5642 .5301 .5443 .2107 31 TYR 31 .3338 .7421 999.9900 999.9900 -.0463 .3432 .3685 .5716 .4870 .3939 32 PHE 32 -3.6149 -2.4384 999.9900 999.9900 -2.2412 -2.7648 -.0821 .0050 -.0313 -1.6743 33 PRO 33 .0120 999.9900 999.9900 999.9900 -.6674 -.3277 -1.8813 .1016 -.7246 -.6088 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.6579 -1.0506 .0706 .2176 .1563 -.4532 35 PRO 35 .3725 999.9900 999.9900 999.9900 -.8366 -.2320 -.3668 .3208 .0343 -.1275 36 PHE 36 -.5560 .0697 999.9900 999.9900 .3416 -.0482 -.9978 .5040 -.1217 -.1277 37 PRO 37 -.2410 999.9900 999.9900 999.9900 -1.0436 -.6423 -.4376 .6199 .1793 -.2756 38 ILE 38 -2.4302 -.0414 999.9900 999.9900 .4912 -.6602 .1233 .1802 .1565 -.3354 39 THR 39 .2564 999.9900 -.2947 999.9900 -.6102 -.2162 .4335 .6765 .5752 .0923 40 VAL 40 -.0523 999.9900 -.5532 999.9900 -.4490 -.3515 .0108 -.0596 -.0303 -.2207 41 ASP 41 -1.0681 -.7325 999.9900 999.9900 .5733 -.4091 .5246 .4799 .4985 -.0446 42 LEU 42 .1006 .5280 999.9900 999.9900 .9730 .5339 -.0332 .4784 .2652 .4094 43 LEU 43 -.3896 -1.6462 999.9900 999.9900 .5293 -.5022 -.9648 .3342 -.2071 -.4274 44 ASP 44 -.8144 -3.7306 999.9900 999.9900 .1786 -1.4555 .2238 .2608 .2454 -.7764 45 TYR 45 .3338 -.9230 999.9900 999.9900 .8158 .0755 .4628 .3823 .4159 .2144 46 SER 46 .0652 999.9900 -.0289 999.9900 -.0193 .0057 .3701 .4879 .4388 .1750 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .0951 -1.6956 .4846 .6812 .5938 -.5564 48 ARG 48 -.6502 1.0644 999.9900 .1593 .4407 .2347 .2950 .6639 .5102 .3046 49 SER 49 -.2734 999.9900 .8786 999.9900 .9098 .5050 -.1019 .6202 .3193 .4067 50 TRP 50 -.8485 -.8273 999.9900 999.9900 -.4740 -.7166 .0799 .5329 .3442 -.3074 51 THR 51 -1.0713 999.9900 .0483 999.9900 -1.6680 -.8970 -.6489 .3524 -.0648 -.5975 52 VAL 52 -.8595 999.9900 -.2457 999.9900 .1378 -.3225 .4275 .4997 .4696 -.0081 53 ARG 53 -.5160 .8164 999.9900 .1593 .2455 .1729 -.1216 .5477 .2689 .1844 54 MET 54 -.7108 .1642 999.9900 .9587 .9122 .3311 -.1946 .3702 .1349 .2500 55 LYS 55 -.1715 1.1776 999.9900 .9587 -.5755 .4696 -.5362 .5627 .1048 .3392 56 LYS 56 -.7069 .5085 999.9900 .3546 -2.6618 -.4302 -5.5328 -.1278 -2.3799 -1.1159 57 ARG 57 -1.5415 .6306 999.9900 .1593 -.4506 -.2086 -.7444 .4216 -.0642 -.1951 58 GLY 58 -1.0699 999.9900 999.9900 999.9900 .3016 -.3842 -.4643 .6449 .1519 -.1469 59 GLU 59 -.4919 .4305 999.9900 -1.0323 1.0761 -.0044 .5825 .6209 .6049 .1976 60 LYS 60 -.8010 .1550 999.9900 .3240 .1791 .0362 .2147 .5058 .3845 .1288 61 VAL 61 .0429 999.9900 .7395 999.9900 -1.3636 -.1937 -.4221 .5248 .1302 -.0957 62 PHE 62 -.0168 .8190 999.9900 999.9900 .6382 .4802 -1.5813 .4122 -.4184 .0543 63 LEU 63 -.8349 -1.2835 999.9900 999.9900 -3.2047 -1.7744 -1.1749 -.4347 -.7431 -1.3865 64 THR 64 -4.2065 999.9900 -.2947 999.9900 -2.7258 -2.4090 -.2750 -.3483 -.3178 -1.5701 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 -2.2406 -1.3336 -.6108 .2603 -.1027 -.8703 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -2.0052 -1.6951 -.9303 -.3885 -.6293 -1.1773 67 TRP 67 .9492 .0052 999.9900 999.9900 .4467 .4670 .0472 .4195 .2644 .3736 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 -1.2865 -1.1795 .0050 -1.3044 -.7588 -1.0029 69 ASN 69 1.3908 .4888 999.9900 999.9900 .1585 .6794 -.6516 .4633 -.0012 .3700 70 PHE 70 .6586 -.1636 999.9900 999.9900 -.0962 .1329 .0164 .5577 .3322 .1946 71 VAL 71 .7260 999.9900 .5873 999.9900 -.1376 .3919 .3721 -.1648 .0589 .2766 72 LYS 72 .8536 .0632 999.9900 .4405 -.4892 .2617 .6808 .4253 .5318 .3450 73 ASP 73 .3915 -.2599 999.9900 999.9900 .5431 .2249 -.0410 .5202 .2864 .2308 74 ASN 74 -.1320 -.8278 999.9900 999.9900 .0387 -.3070 .6624 .4762 .5538 .0435 75 ASN 75 -2.8943 -.3237 999.9900 999.9900 .8079 -.8034 .4017 .1544 .2574 -.3708 76 LEU 76 -1.8830 -2.1315 999.9900 999.9900 -.9806 -1.6650 .0814 .1651 .1302 -.9497 77 GLU 77 -2.1524 -.3402 999.9900 .3501 .3223 -.4551 .3921 .5310 .4731 -.1495 78 ASP 78 -1.0430 -1.1348 999.9900 999.9900 .5431 -.5449 .2837 .2787 .2808 -.2145 79 GLY 79 -1.2283 999.9900 999.9900 999.9900 .3466 -.4409 .1104 .6877 .4312 -.0209 80 LYS 80 -.3414 -.2562 999.9900 1.3036 -.4103 .3199 .2670 .3553 .3185 .3174 81 TYR 81 .4225 .2608 999.9900 999.9900 -.1498 .1778 -.6402 .4591 .0011 .0705 82 LEU 82 -.1655 .8730 999.9900 999.9900 .1315 .2797 .2073 .5968 .4345 .3286 83 GLN 83 -.1966 .4476 999.9900 1.3059 .6133 .5425 -.6452 .2171 -.1422 .2903 84 PHE 84 -.2986 .8396 999.9900 999.9900 .2815 .2741 -.9595 .6142 -.0415 .0954 85 ILE 85 .2768 .2838 999.9900 999.9900 .5300 .3635 -1.1777 .5688 -.1589 .0963 86 TYR 86 -.0287 .5130 999.9900 999.9900 .2066 .2303 .0711 .1011 .0886 .1726 87 ASP 87 -3.3417 -.8657 999.9900 999.9900 .2628 -1.3149 .2476 .4752 .3803 -.6444 88 ARG 88 -2.9267 -1.5080 999.9900 .9503 -2.3710 -.9810 .5602 -1.0521 -.3803 -.7710 89 ASP 89 -2.1057 -1.4116 999.9900 999.9900 -1.1781 -1.5651 -.4894 .1021 -.1444 -1.0165 90 ARG 90 -.4248 -1.1343 999.9900 .1593 -1.3564 -.5194 .2878 -.1104 .0555 -.3456 91 THR 91 .4171 999.9900 1.0667 999.9900 .1092 .5310 .3771 .4028 .3921 .4746 92 PHE 92 .1097 .0765 999.9900 999.9900 .4513 .2125 .3531 .4819 .4282 .2945 93 TYR 93 .0500 -.3674 999.9900 999.9900 -.4027 -.2400 .3305 .4523 .4015 .0125 94 VAL 94 .3372 999.9900 -.2457 999.9900 -.9137 -.2741 .4909 .6627 .5911 .0663 95 ILE 95 -.1366 -.7522 999.9900 999.9900 -.8571 -.5820 .0763 .2423 .1731 -.2855 96 ILE 96 .4877 .2838 999.9900 999.9900 .2717 .3478 .2278 .5950 .4420 .3732 97 TYR 97 -.0495 .8376 999.9900 999.9900 -.1498 .2127 -.4493 .5667 .1434 .1511 98 GLY 98 -1.0990 999.9900 999.9900 999.9900 .4101 -.3445 -.7398 .4750 -.0649 -.2384 99 HIS 99 -3.0884 -.9211 999.9900 999.9900 -.1902 -1.3999 -.0702 -.1401 -.1110 -.8820 100 ASN 100 -1.4401 -1.4522 999.9900 999.9900 .5940 -.7661 .1754 .5174 .3749 -.3211 101 MET 101 -1.1708 .5321 999.9900 .9587 .7725 .2731 -1.4178 .6282 -.2243 .0505 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 -.2617 .4556 .1482 .3523 Means: -.5704 -.2770 .0294 .3575 -.1512 -.2345 -.1614 .3471 .1343 -.1107 2.00 refined_12