1 MET 1 999.9900 .8879 999.9900 .9587 -.1136 .5777 -.0995 .5704 .2659 .4408 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 -.9190 -1.4379 .0442 .4488 .2802 -.5957 3 ASP 3 -.8891 -2.1980 999.9900 999.9900 .7118 -.7918 -.0798 .6346 .3369 -.3641 4 THR 4 -.2485 999.9900 -.2947 999.9900 .5164 -.0089 .1894 .4443 .3381 .1214 5 GLY 5 -1.9441 999.9900 999.9900 999.9900 .4101 -.7670 .3429 .5689 .4685 -.1556 6 GLU 6 -.4269 -.5578 999.9900 -1.0323 -1.0906 -.7769 .0389 .5320 .3266 -.4228 7 VAL 7 -.0582 999.9900 -.0276 999.9900 .4989 .1377 -.1546 -.2167 -.1908 .0083 8 GLN 8 -.5881 -.0698 999.9900 1.3059 -.7286 -.0202 -.6909 .4001 -.0545 -.0619 9 PHE 9 .1414 .5389 999.9900 999.9900 .7193 .4665 -.4376 .2275 -.0496 .2379 10 MET 10 -.1025 -.2135 999.9900 .9587 -.8385 -.0490 -.2809 .3968 .1144 -.0133 11 LYS 11 -.3223 .5334 999.9900 .1140 -.8987 -.0919 .3269 .4340 .3894 .0431 12 PRO 12 .4011 999.9900 999.9900 999.9900 -.1050 .1480 .0791 .4100 .2721 .1963 13 PHE 13 -.0400 -.6308 999.9900 999.9900 .5495 -.0404 .3966 .1423 .2483 .0835 14 ILE 14 .3543 -.0177 999.9900 999.9900 -2.1444 -.6026 .4206 .4268 .4242 -.1921 15 SER 15 .6370 999.9900 .8786 999.9900 .9098 .8085 .0635 .5017 .3191 .5981 16 GLU 16 -.2326 .6046 999.9900 -1.0323 -.6780 -.3346 .4722 .4962 .4862 -.0616 17 LYS 17 -2.0221 .1550 999.9900 .9587 -1.2036 -.2307 .0383 .3533 .2220 -.1088 18 SER 18 .4640 999.9900 -.7153 999.9900 .3425 .0304 .2684 .6220 .4746 .1963 19 SER 19 .8651 999.9900 .8786 999.9900 .8922 .8786 .3643 .4703 .4261 .6941 20 LYS 20 -1.2734 -2.9005 999.9900 .6133 .8827 -.4129 -.3076 .1402 -.0463 -.3189 21 SER 21 .0280 999.9900 -.7153 999.9900 .7576 .0234 .2793 .3478 .3192 .1395 22 LEU 22 -.0766 -2.3037 999.9900 999.9900 -1.8015 -1.3939 -.4100 -.0820 -.2186 -.9347 23 GLU 23 -.5440 -.3719 999.9900 -1.0323 -1.0906 -.7597 .2994 .0006 .1251 -.4565 24 ILE 24 .3543 -.0177 999.9900 999.9900 .4912 .2759 .5335 .4610 .4912 .3645 25 PRO 25 .4049 999.9900 999.9900 999.9900 -.1935 .1057 .6023 .5245 .5570 .3346 26 LEU 26 .4996 -1.4036 999.9900 999.9900 .4504 -.1512 .1970 .2685 .2387 .0024 27 GLY 27 .1734 999.9900 999.9900 999.9900 .2782 .2258 .5485 .5519 .5504 .3880 28 PHE 28 -.0970 .8160 999.9900 999.9900 -.7419 -.0076 .5273 .3728 .4372 .1754 29 ASN 29 1.0488 .2165 999.9900 999.9900 -.0996 .3886 .5428 .3278 .4174 .4072 30 GLU 30 .8733 -.3719 999.9900 -1.0323 -.1867 -.1794 .5622 .3090 .4145 .0256 31 TYR 31 -.0710 .4609 999.9900 999.9900 .2769 .2223 .5480 .5089 .5252 .3447 32 PHE 32 -3.6149 .1164 999.9900 999.9900 -2.2412 -1.9132 .0956 .0553 .0721 -1.1177 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 -.4005 -1.1833 -1.5134 .2885 -.4623 -.8979 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -2.1366 -1.2651 .3180 .2681 .2889 -.4860 35 PRO 35 .4049 999.9900 999.9900 999.9900 -1.6867 -.6409 .3064 .3500 .3318 -.1564 36 PHE 36 -.8715 .1164 999.9900 999.9900 .2172 -.1793 -.1956 .5071 .2143 -.0453 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .6931 -.2259 -.6103 .6127 .1031 -.1123 38 ILE 38 -1.5441 -.0177 999.9900 999.9900 .4089 -.3843 .1952 .5160 .3823 -.0883 39 THR 39 .3976 999.9900 -.2947 999.9900 -.6102 -.1691 .2006 .6299 .4510 .0646 40 VAL 40 -.3288 999.9900 1.1129 999.9900 .6503 .4781 -.2305 -.2921 -.2664 .1824 41 ASP 41 -.4836 -.3623 999.9900 999.9900 -.3974 -.4145 -.3147 .4244 .1164 -.2268 42 LEU 42 .1006 .8730 999.9900 999.9900 -.9806 -.0023 -2.2504 .3905 -.7099 -.3734 43 LEU 43 -1.1256 .8730 999.9900 999.9900 .4774 .0749 -2.2722 .3662 -.7331 -.3362 44 ASP 44 -1.3478 -1.7105 999.9900 999.9900 .6587 -.7999 .1034 -.3191 -.1430 -.5231 45 TYR 45 .6101 .2884 999.9900 999.9900 .2066 .3684 .5259 .6507 .5987 .4563 46 SER 46 -2.4175 999.9900 -.7153 999.9900 -.9994 -1.3774 .0757 .3958 .2624 -.7322 47 GLY 47 -1.6434 999.9900 999.9900 999.9900 .9364 -.3535 .3350 .6575 .5142 .0714 48 ARG 48 -.4155 .8164 999.9900 .5548 -.0022 .3017 .5135 .5759 .5499 .3711 49 SER 49 -.2734 999.9900 -.7153 999.9900 -.6377 -.5421 .2839 .5751 .4538 -.1535 50 TRP 50 -.6038 -1.0414 999.9900 999.9900 .0811 -.5214 .0748 .1014 .0903 -.2776 51 THR 51 -1.0713 999.9900 1.1473 999.9900 -1.3910 -.4383 -.5293 .3407 -.0218 -.3007 52 VAL 52 -.8595 999.9900 .7395 999.9900 .2144 .0315 -.3055 .2528 .0202 .0083 53 ARG 53 -.5160 -2.8571 999.9900 .1593 .4407 -.5228 -.9283 .5341 -.0753 -.4297 54 MET 54 -.7108 -1.7864 999.9900 .9587 -1.9874 -.8815 -.9712 .0993 -.3467 -.7330 55 LYS 55 -.3223 1.2989 999.9900 .3240 .2547 .3759 -.7169 .4773 -.0203 .2342 56 LYS 56 -1.1367 .3679 999.9900 .5368 -2.6618 -.4714 -2.1259 .1144 -.8191 -.6241 57 ARG 57 -1.3391 .7735 999.9900 .1593 -.0022 -.0498 -.0685 .6157 .3306 .0426 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .4303 -.0848 -.4333 .6650 .1769 .0155 59 GLU 59 -.5648 -.6497 999.9900 -1.0323 .1264 -.5301 .2351 .6255 .4629 -.2100 60 LYS 60 -.8010 1.2989 999.9900 .9443 .8457 .6464 -.0614 .6576 .3580 .5469 61 VAL 61 .4158 999.9900 .4980 999.9900 -.2503 .2212 .0992 .5554 .3653 .2636 62 PHE 62 -.0017 .0765 999.9900 999.9900 -.9498 -.2916 -.1972 .1051 -.0208 -.1934 63 LEU 63 -.7582 -1.4996 999.9900 999.9900 -2.0927 -1.4502 -1.8067 -.8996 -1.2775 -1.4113 64 THR 64 -3.2663 999.9900 -.8810 999.9900 -.8522 -1.6665 -.7932 -1.3332 -1.1082 -1.4252 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -2.2406 -1.5088 -.0492 .4886 .2645 -.8174 66 GLY 66 -1.3026 999.9900 999.9900 999.9900 -1.0172 -1.1599 -.8521 -.3448 -.5703 -.8792 67 TRP 67 .4280 .5502 999.9900 999.9900 -1.6678 -.2298 .1316 .2845 .2208 -.0547 68 GLU 68 .3258 -2.8418 999.9900 -1.0323 -.7952 -1.0859 -.4846 -2.9629 -1.9303 -1.2985 69 ASN 69 .7786 -1.5725 999.9900 999.9900 .5940 -.0666 -.9907 .4184 -.1687 -.1544 70 PHE 70 .6259 .7639 999.9900 999.9900 -.0075 .4608 .1872 .3483 .2812 .3836 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .6959 .2211 .0792 .5469 .3520 .2579 72 LYS 72 .8536 .2165 999.9900 .1140 -1.2036 .0189 .5250 .5525 .5410 .1674 73 ASP 73 .2706 -1.1062 999.9900 999.9900 -.3226 -.3861 -.2207 .3354 .1037 -.2087 74 ASN 74 -.3337 -.0252 999.9900 999.9900 -.5831 -.3140 .3425 .2238 .2733 -.0751 75 ASN 75 -2.3558 .2165 999.9900 999.9900 .4024 -.5790 .0486 .3058 .1986 -.2765 76 LEU 76 .0762 -1.5832 999.9900 999.9900 .7348 -.2574 -1.0171 .2019 -.3060 -.3175 77 GLU 77 -1.3743 -.3402 999.9900 -1.0323 -.1867 -.7334 -.9289 .2888 -.2186 -.5956 78 ASP 78 -.2149 -1.0518 999.9900 999.9900 -.7687 -.6785 -.1316 .3553 .1524 -.3624 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -1.2432 -1.2729 .3310 .4249 .3832 -.4475 80 LYS 80 -.2741 -1.9682 999.9900 1.0897 .8457 .1566 -.3155 .4366 .1232 .1291 81 TYR 81 .6244 .8463 999.9900 999.9900 -.2672 .4012 -1.4743 .4392 -.3581 .0337 82 LEU 82 -.3075 -3.3760 999.9900 999.9900 .6926 -.9970 -1.2854 .3136 -.3527 -.7925 83 GLN 83 -.1966 1.2376 999.9900 1.3059 .0346 .5954 -1.1423 .2856 -.3094 .2541 84 PHE 84 -.2457 .1033 999.9900 999.9900 -.3041 -.1488 -1.2706 .3837 -.3056 -.2667 85 ILE 85 .1597 -3.0500 999.9900 999.9900 -2.1444 -1.6782 -2.2165 -.0473 -.9511 -1.4597 86 TYR 86 .0686 -.3674 999.9900 999.9900 -1.9776 -.7588 -.0639 .2897 .1424 -.4101 87 ASP 87 .3371 -.5192 999.9900 999.9900 .5733 .1304 -.1536 -.0241 -.0781 .0427 88 ARG 88 -1.5415 -.7463 999.9900 .7862 .5247 -.0382 .2583 -.1599 .0143 -.0132 89 ASP 89 -3.3417 -1.0010 999.9900 999.9900 .8104 -1.1774 -.6436 -.2642 -.4223 -.8880 90 ARG 90 -.5383 -.4990 999.9900 .1593 -.3418 -.2121 .2367 .2585 .2494 -.0807 91 THR 91 .1314 999.9900 -.2947 999.9900 .9813 .2727 .2263 .4398 .3508 .2968 92 PHE 92 .0766 -.5318 999.9900 999.9900 .1482 -.1024 .6337 .5164 .5652 .1686 93 TYR 93 -.0495 .8258 999.9900 999.9900 .1301 .3021 -.0856 -.1698 -.1347 .1302 94 VAL 94 .4077 999.9900 .2799 999.9900 .3827 .3568 .3716 .5965 .5028 .4077 95 ILE 95 .4877 -3.0500 999.9900 999.9900 -2.8566 -1.8063 -.3253 .0141 -.1274 -1.1460 96 ILE 96 -.2252 -3.0500 999.9900 999.9900 -1.2029 -1.4927 -.0515 .5131 .2778 -.8033 97 TYR 97 -.6832 .8492 999.9900 999.9900 -.2672 -.0338 -.2172 .3677 .1240 .0098 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .0351 -1.7256 .2792 .5827 .4478 -.6473 99 HIS 99 .0195 1.1349 999.9900 999.9900 -1.6368 -.1608 .0161 .1611 .1007 -.0610 100 ASN 100 -.7402 -.2320 999.9900 999.9900 -1.0852 -.6858 -.1066 -1.2422 -.7690 -.6812 101 MET 101 -1.5488 .8879 999.9900 .9587 .0476 .0864 -.3233 -.4127 -.3755 -.0651 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.2095 .1341 -.0132 .0181 Means: -.4739 -.4224 -.0604 .3140 -.3195 -.2979 -.1862 .2516 .0683 -.1697 2.00 refined_4