1 MET 1 999.9900 -1.7864 999.9900 .9587 .6113 -.0722 .2309 .5399 .3994 .1109 2 ALA 2 -1.6256 999.9900 999.9900 999.9900 .9520 -.3368 -.3429 .6630 .2438 -.0884 3 ASP 3 -.3451 -1.2611 999.9900 999.9900 .7866 -.2732 -.5962 .5977 .1003 -.1636 4 THR 4 -1.0285 999.9900 -.8810 999.9900 .2932 -.5388 .1285 .4380 .3090 -.2100 5 GLY 5 -.5009 999.9900 999.9900 999.9900 .4883 -.0063 .0594 .6138 .3674 .1652 6 GLU 6 -.5440 -1.7714 999.9900 -1.0323 .0339 -.8284 -.3877 .2844 .0044 -.5695 7 VAL 7 -.6656 999.9900 .1416 999.9900 .7810 .0857 -1.0160 .5262 -.1164 -.0465 8 GLN 8 -.3431 -.5630 999.9900 1.3059 .0346 .1086 -.8501 .5063 -.0589 .0151 9 PHE 9 -.0559 .8308 999.9900 999.9900 .7193 .4981 .0778 .3077 .2119 .3759 10 MET 10 -.3206 -.2135 999.9900 .9587 -.1136 .0778 -.4459 .4513 .0775 .0527 11 LYS 11 -.1665 -2.9005 999.9900 .6506 -.1497 -.3831 -.0917 -.1696 -.1371 -.3110 12 PRO 12 .4011 999.9900 999.9900 999.9900 .4949 .4480 .0441 .5308 .3280 .3677 13 PHE 13 -.0400 -.6308 999.9900 999.9900 .5495 -.0404 -.3334 .4990 .1522 .0089 14 ILE 14 -.5593 .2838 999.9900 999.9900 -2.8566 -1.0441 .0730 .2102 .1531 -.5698 15 SER 15 .1386 999.9900 -.0289 999.9900 .1597 .0898 .3884 .5489 .4820 .2414 16 GLU 16 1.0761 .7809 999.9900 -1.0323 -.4821 .0856 .4686 .5667 .5258 .2296 17 LYS 17 -2.0221 -1.5918 999.9900 .7184 -2.0338 -.8422 .1342 -.3824 -.1671 -.6370 18 SER 18 -.9964 999.9900 -.7153 999.9900 -2.5979 -1.4365 .2949 .4372 .3779 -.7155 19 SER 19 .6980 999.9900 -.7153 999.9900 .7576 .2467 -.3639 .4827 .1300 .1718 20 LYS 20 -3.5196 .8596 999.9900 -.0397 .1791 -.5121 .5912 .5076 .5425 -.2088 21 SER 21 .0742 999.9900 .3727 999.9900 .5991 .3487 .1452 .3843 .2847 .3151 22 LEU 22 -.0792 .8847 999.9900 999.9900 -2.5031 -.5658 -.8892 -.3561 -.5783 -.5886 23 GLU 23 -.9070 -.3719 999.9900 -1.0323 .0339 -.5693 -.1129 -.0561 -.0797 -.4077 24 ILE 24 .4877 .6227 999.9900 999.9900 .7362 .6155 .2762 .5982 .4640 .5442 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .2426 .0065 .3724 .1595 .2482 .1362 26 LEU 26 .9913 .3099 999.9900 999.9900 .3346 .5453 .6092 .4187 .4981 .5327 27 GLY 27 .9829 999.9900 999.9900 999.9900 .6270 .8049 .5148 .6916 .6130 .7040 28 PHE 28 .0766 .5389 999.9900 999.9900 .5495 .3883 .4560 .6247 .5544 .4491 29 ASN 29 1.1272 .1037 999.9900 999.9900 .3587 .5299 .6478 .5872 .6125 .5649 30 GLU 30 .0468 .8225 999.9900 -1.0323 .0339 -.0323 .3737 .5048 .4502 .1249 31 TYR 31 -.2255 .7834 999.9900 999.9900 .9193 .4924 .1808 .4044 .3112 .4125 32 PHE 32 -1.4107 .1164 999.9900 999.9900 -1.2178 -.8374 -.0628 -.0528 -.0570 -.5255 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .2426 -.2405 -2.5555 .0165 -1.0552 -.7550 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -3.1661 -1.7798 .1712 .1734 .1725 -.8038 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.8366 -.1458 .1664 .2129 .1935 .0219 36 PHE 36 -.8715 .1164 999.9900 999.9900 .5949 -.0534 -.0622 .5001 .2658 .0556 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .4949 -.3250 -.5107 .6546 .1691 -.1265 38 ILE 38 -2.0621 -.0177 999.9900 999.9900 .8537 -.4087 .1595 .4914 .3531 -.1151 39 THR 39 .4132 999.9900 -.8810 999.9900 .1092 -.1195 -.1401 .6491 .3203 .0301 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 -.5257 -.5542 -.6398 .0899 -.2142 -.4425 41 ASP 41 -1.0681 -.4551 999.9900 999.9900 .2216 -.4339 .2810 .4057 .3537 -.1230 42 LEU 42 .1006 .8730 999.9900 999.9900 .7753 .5829 -.4621 .4127 .0482 .3399 43 LEU 43 .0762 -1.5832 999.9900 999.9900 .4504 -.3522 -.9701 .5589 -.0782 -.2935 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 -.0689 -1.4855 .3064 .4088 .3661 -.7482 45 TYR 45 .3981 .5582 999.9900 999.9900 .8158 .5907 .3949 .2804 .3281 .4895 46 SER 46 .8651 999.9900 -.7153 999.9900 .1597 .1032 .5726 .5889 .5821 .2942 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .4101 -.7670 .4610 .6499 .5659 -.1058 48 ARG 48 -.5733 .3427 999.9900 .7862 .1299 .2943 .2264 .5910 .4391 .3270 49 SER 49 -.2454 999.9900 -.7153 999.9900 .5740 -.1289 .0691 .6253 .3936 .0615 50 TRP 50 -.1712 -.0877 999.9900 999.9900 -.9146 -.3912 -.3368 .6021 .2109 -.1816 51 THR 51 -1.0713 999.9900 1.0667 999.9900 -1.3910 -.4652 -.5619 .4340 .0190 -.3047 52 VAL 52 -.3637 999.9900 -.5532 999.9900 -.1376 -.3515 -.6695 .5857 .0627 -.2277 53 ARG 53 -.5383 -.0540 999.9900 1.0005 .8581 .4534 .0265 .3884 .2376 .3831 54 MET 54 -.2142 .5072 999.9900 .9587 1.2917 .6358 .5481 .4012 .4624 .5821 55 LYS 55 -.6340 -.7632 999.9900 -.4035 -1.4057 -.7220 .4163 .4658 .4452 -.3897 56 LYS 56 -.3414 1.2989 999.9900 .3546 .7669 .4867 -.9988 .2348 -.2792 .2385 57 ARG 57 -1.4318 1.1781 999.9900 .7862 .0662 .2770 -.3930 .4471 .0971 .2056 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -.0291 -1.3503 -1.1394 .6202 -.1618 -.8050 59 GLU 59 -1.0629 .4305 999.9900 .3501 .5923 .0775 .4566 .6319 .5589 .2331 60 LYS 60 -.8010 -.2178 999.9900 .1731 -2.0338 -.5413 -.0625 .4999 .2655 -.3242 61 VAL 61 -.0951 999.9900 -1.0788 999.9900 -2.9040 -1.3593 -3.0250 .1629 -1.1654 -1.3880 62 PHE 62 .0058 .1608 999.9900 999.9900 -.5721 -.1352 -3.3202 -.3359 -1.5794 -.8123 63 LEU 63 -.7582 -1.0719 999.9900 999.9900 -3.2047 -1.6783 -.9145 -1.6987 -1.3720 -1.5296 64 THR 64 -4.2065 999.9900 -.2947 999.9900 -2.7258 -2.4090 -.1772 -.3185 -.2597 -1.5446 65 VAL 65 -1.1312 999.9900 -.0276 999.9900 -1.0415 -.7334 -.7967 .4064 -.0949 -.5181 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 -1.1231 -2.0477 -.3444 -.3980 -.3742 -1.2095 67 TRP 67 .2222 .5502 999.9900 999.9900 .5918 .4547 .4723 .3197 .3833 .4312 68 GLU 68 .6116 .6046 999.9900 -1.0323 .7127 .2242 .1409 .5428 .3753 .2634 69 ASN 69 1.1678 1.0524 999.9900 999.9900 .5940 .9381 -.1404 .6619 .3276 .6672 70 PHE 70 .6259 -.1636 999.9900 999.9900 -.4285 .0113 .2433 .5206 .4050 .1595 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .6025 .1690 .1227 .5537 .3741 .2367 72 LYS 72 .6780 .1966 999.9900 .1140 -.1497 .1906 .0092 -.4549 -.2615 .0725 73 ASP 73 .9921 -.7325 999.9900 999.9900 .8336 .3644 -.1894 .3602 .1312 .2528 74 ASN 74 -.6931 .1235 999.9900 999.9900 -.2632 -.2776 .5691 .2442 .3796 -.0039 75 ASN 75 -2.8943 .1235 999.9900 999.9900 .1585 -.8708 .2662 .0438 .1365 -.4605 76 LEU 76 -1.4617 -2.9612 999.9900 999.9900 -.1229 -1.5152 -.2782 .0638 -.0787 -.9520 77 GLU 77 -2.1524 -.6022 999.9900 1.7325 .3899 -.1581 .3447 .3440 .3443 .0094 78 ASP 78 -.9954 -1.0518 999.9900 999.9900 -.0689 -.7054 -.2363 .4755 .1789 -.3754 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 -1.7465 -2.3594 .0460 .2974 .1856 -1.0939 80 LYS 80 -.4232 1.0637 999.9900 .7184 -.5755 .3004 .0023 .2025 .1191 .2438 81 TYR 81 .1961 .8492 999.9900 999.9900 -.2672 .2593 -.9820 .4852 -.1261 .0563 82 LEU 82 -.7369 -2.9612 999.9900 999.9900 -.0308 -1.2430 -.4741 .1961 -.0831 -.8014 83 GLN 83 -.4424 .7602 999.9900 1.3059 -1.6155 .0020 -.4660 .2596 -.0427 -.0330 84 PHE 84 -.2986 .8190 999.9900 999.9900 -.0075 .1710 -.8914 .4304 -.1203 .0104 85 ILE 85 -.3198 .2838 999.9900 999.9900 -1.4322 -.4894 -.5361 .3123 -.0412 -.3384 86 TYR 86 .5504 .6919 999.9900 999.9900 -1.9776 -.2451 -.2496 .5585 .2218 -.0853 87 ASP 87 -1.3105 -.3302 999.9900 999.9900 -1.1781 -.9396 -.1732 -.3870 -.2979 -.6758 88 ARG 88 -2.9267 -2.8571 999.9900 .7862 -.5739 -.9571 .2710 .3729 .3304 -.5917 89 ASP 89 -3.3417 -.7325 999.9900 999.9900 .6026 -1.1572 -.6871 -.6848 -.6857 -.9687 90 ARG 90 -1.3391 -2.8571 999.9900 .1593 -.0761 -.7908 .0055 .4394 .2586 -.5013 91 THR 91 .1937 999.9900 .0483 999.9900 .9813 .4078 .3741 .4618 .4253 .4118 92 PHE 92 .0900 .0765 999.9900 999.9900 -1.2178 -.3504 .0152 .3904 .2341 -.1291 93 TYR 93 -.0287 .2608 999.9900 999.9900 .7784 .3368 -.0108 .3725 .2128 .2744 94 VAL 94 -.1817 999.9900 -1.0788 999.9900 .1768 -.3612 -.1527 .6017 .2874 -.1269 95 ILE 95 .2866 -1.0451 999.9900 999.9900 .3195 -.1463 -.2689 .4912 .1745 -.0433 96 ILE 96 -.6670 -1.0451 999.9900 999.9900 -.3033 -.6718 .3842 .5401 .4751 -.2182 97 TYR 97 -.8310 .8463 999.9900 999.9900 -1.0119 -.3322 -.6194 .2908 -.0884 -.2651 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -1.1231 -2.3047 -.4924 -.2962 -.3834 -1.3495 99 HIS 99 -1.4902 -.2881 999.9900 999.9900 .5185 -.4199 -.1948 .4077 .1567 -.2094 100 ASN 100 -.4415 .2165 999.9900 999.9900 .9106 .2285 .5333 .5691 .5542 .3576 101 MET 101 -2.6662 .5321 999.9900 .9587 -.3043 -.3699 .5047 .6072 .5645 -.0613 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .5643 -.0608 .2071 .4555 Means: -.6079 -.2209 -.3869 .3840 -.1946 -.2685 -.1544 .3255 .1247 -.1324 2.00 refined_17