1 MET 1 999.9900 .5321 999.9900 .9587 .9122 .8010 .5161 .6830 .6072 .7204 2 ALA 2 -1.6986 999.9900 999.9900 999.9900 -.2278 -.9632 .5959 .5326 .5590 -.1995 3 ASP 3 -3.3417 -.3515 999.9900 999.9900 .6310 -1.0207 .1991 .0363 .1041 -.5654 4 THR 4 .1579 999.9900 -.8810 999.9900 .7766 .0178 .4948 .3254 .3960 .1748 5 GLY 5 -.3145 999.9900 999.9900 999.9900 -.3452 -.3298 -1.3500 .6356 -.2469 -.3435 6 GLU 6 -.8591 -.9977 999.9900 .3501 .3223 -.2961 -1.3390 .3800 -.3362 -.3572 7 VAL 7 -.0951 999.9900 .1416 999.9900 .3189 .1218 -.9961 .4498 -.1527 -.0362 8 GLN 8 -.4190 1.1250 999.9900 1.3059 -1.2230 .1972 -1.0248 .6663 -.0384 .0717 9 PHE 9 .0766 .8308 999.9900 999.9900 -.0075 .3000 .5183 .4312 .4675 .3699 10 MET 10 -.7980 .3567 999.9900 .9587 -1.9874 -.3675 .5476 .3694 .4437 -.0922 11 LYS 11 -.8672 -.4366 999.9900 1.0171 -1.0384 -.0616 .6821 .0885 .3359 .0661 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4021 .3882 .3336 .5314 .4490 .4104 13 PHE 13 -.2986 .5747 999.9900 999.9900 -1.2178 -.3139 .5183 .2900 .3851 -.0267 14 ILE 14 -.2299 .6227 999.9900 999.9900 -.7199 -.1090 .4358 .4529 .4457 .1123 15 SER 15 .5661 999.9900 -.7153 999.9900 -.2435 -.1309 .0174 .4781 .2862 .0206 16 GLU 16 .0765 .8793 999.9900 -1.0323 -.1261 -.0507 .3339 .5725 .4731 .1173 17 LYS 17 -2.0221 -.2695 999.9900 1.2407 -1.6664 -.2953 .3025 .4799 .4060 -.0992 18 SER 18 -.3100 999.9900 -.0289 999.9900 -.0703 -.1364 .3454 .5548 .4675 .0982 19 SER 19 .7489 999.9900 -.7153 999.9900 .1597 .0644 .5580 .6537 .6139 .2810 20 LYS 20 -2.1024 .1550 999.9900 1.5344 .4783 .3199 .0233 .5273 .3173 .3072 21 SER 21 .0280 999.9900 .8786 999.9900 .0747 .3271 .4110 .5198 .4745 .3824 22 LEU 22 -.2022 .5655 999.9900 999.9900 .2713 .2115 -2.1265 -.5795 -1.2241 -.4143 23 GLU 23 -.7937 -2.8418 999.9900 -1.0323 .2101 -1.1144 -.1866 -1.4141 -.9026 -1.0097 24 ILE 24 .4877 -.0177 999.9900 999.9900 .0546 .1749 .5627 .6134 .5923 .3401 25 PRO 25 .1879 999.9900 999.9900 999.9900 .5793 .3836 .5563 .5087 .5286 .4581 26 LEU 26 1.1349 -1.9980 999.9900 999.9900 .6926 -.0569 .4530 .4229 .4355 .1411 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .6136 .6770 .6488 .7654 28 PHE 28 .0766 .5902 999.9900 999.9900 .2815 .3161 .6233 .5453 .5778 .4233 29 ASN 29 1.1272 .2165 999.9900 999.9900 .7224 .6887 .6287 .6552 .6442 .6700 30 GLU 30 -.3012 .4305 999.9900 -1.0323 .2491 -.1635 .6928 .6872 .6895 .1210 31 TYR 31 .3338 .4290 999.9900 999.9900 .2066 .3231 .5218 .5397 .5322 .4062 32 PHE 32 -3.6149 -.1460 999.9900 999.9900 -.0075 -1.2561 -.0775 -.0758 -.0765 -.7843 33 PRO 33 .3744 999.9900 999.9900 999.9900 .6931 .5337 -1.8002 .1185 -.6809 -.1535 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -.7624 -.5780 .0552 .1605 .1166 -.2351 35 PRO 35 -.3960 999.9900 999.9900 999.9900 -2.3298 -1.3629 .3615 .4845 .4332 -.4700 36 PHE 36 -1.3242 -.0709 999.9900 999.9900 -.9498 -.7816 -.0608 .4908 .2610 -.3830 37 PRO 37 -1.3581 999.9900 999.9900 999.9900 .9143 -.2219 -.6059 .5829 .0876 -.1167 38 ILE 38 -.4094 -1.6252 999.9900 999.9900 .4912 -.5145 -.2101 .3399 .1107 -.2827 39 THR 39 .2564 999.9900 -.8810 999.9900 .5490 -.0252 .2196 .5148 .3918 .1317 40 VAL 40 -.3909 999.9900 .1416 999.9900 -.7002 -.3165 -.4281 -.5024 -.4714 -.3760 41 ASP 41 -1.5723 -.4801 999.9900 999.9900 .5431 -.5031 .0345 .1856 .1227 -.2578 42 LEU 42 -.0536 .8730 999.9900 999.9900 -1.2350 -.1385 -1.1914 .3215 -.3089 -.2571 43 LEU 43 -.6830 -1.8410 999.9900 999.9900 .1315 -.7975 -.6617 .0666 -.2368 -.5975 44 ASP 44 -1.0941 -.8657 999.9900 999.9900 -2.9873 -1.6490 -1.1038 .0417 -.4356 -1.2018 45 TYR 45 .6101 -2.1671 999.9900 999.9900 .2066 -.4501 .5368 .0884 .2752 -.1450 46 SER 46 -.0963 999.9900 .8786 999.9900 -.0193 .2543 .5570 .4830 .5138 .3606 47 GLY 47 -.7692 999.9900 999.9900 999.9900 -.1733 -.4713 .6930 .3979 .5290 .0371 48 ARG 48 -.9010 -2.8571 999.9900 .5548 .3956 -.4506 -1.3756 -.3437 -.7737 -.5675 49 SER 49 .2423 999.9900 -.0289 999.9900 .0747 .0960 -.3640 .3726 .0657 .0593 50 TRP 50 -1.5670 -1.0414 999.9900 999.9900 .4467 -.7206 -.7321 .1600 -.2117 -.5468 51 THR 51 -1.0713 999.9900 .7650 999.9900 .3342 .0093 -.4500 .4433 .0711 .0042 52 VAL 52 -.9687 999.9900 -1.0788 999.9900 -.2503 -.7659 -1.8649 .5792 -.4392 -.7167 53 ARG 53 -.4063 -2.3766 999.9900 .6901 -1.7309 -.6267 -1.3814 .2681 -.4192 -.6067 54 MET 54 -.3815 .2906 999.9900 .9587 -1.9874 -.2799 -.9800 .5810 -.0694 -.2531 55 LYS 55 -1.0405 -.7632 999.9900 -.4035 .2547 -.4712 -1.8385 .3759 -.5468 -.5455 56 LYS 56 -.6747 -2.9005 999.9900 .8043 -1.6664 -.7266 -6.4233 -.1625 -2.7712 -1.4598 57 ARG 57 -2.0927 .8024 999.9900 .6901 -.2445 -.0310 -.7757 .6135 .0347 -.0453 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 -1.2432 -1.8507 -1.4254 .5057 -.3526 -1.1553 59 GLU 59 -.5578 -.4584 999.9900 -1.0323 .5390 -.3774 -.0493 .5633 .3080 -.1659 60 LYS 60 -.6340 1.0637 999.9900 .1731 -.4103 .0731 -1.1078 .5493 -.1412 -.0276 61 VAL 61 .0815 999.9900 1.1129 999.9900 .2853 .4932 -1.0065 .4356 -.1653 .1818 62 PHE 62 -.0017 .8396 999.9900 999.9900 .3981 .4120 -1.4311 .5353 -.2840 .0680 63 LEU 63 -.7094 .8730 999.9900 999.9900 -.4635 -.1000 -.2750 .2048 .0049 -.0740 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.0006 -2.0294 -.7127 .1339 -.2188 -1.3334 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -.8010 -1.0290 .3294 .4468 .3979 -.4621 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.0172 -1.3006 -.0448 .4567 .2338 -.5473 67 TRP 67 .9492 -1.9067 999.9900 999.9900 -.4740 -.4771 .3777 .5351 .4695 -.1037 68 GLU 68 .8733 .7809 999.9900 -1.0323 .6899 .3279 .5626 .6284 .6010 .4171 69 ASN 69 1.1678 -.0024 999.9900 999.9900 .9106 .6920 .3339 .6544 .5208 .6128 70 PHE 70 .6259 .7639 999.9900 999.9900 .5949 .6616 .4860 .6331 .5718 .6208 71 VAL 71 .5660 999.9900 .5873 999.9900 -.4490 .2347 -.0427 .0592 .0167 .1441 72 LYS 72 .8536 -.3555 999.9900 .4411 -.4892 .1782 .1345 .6460 .4329 .2388 73 ASP 73 .2706 -.5059 999.9900 999.9900 .6856 .1501 .2547 .4458 .3662 .2302 74 ASN 74 -.6931 -1.5725 999.9900 999.9900 .4840 -.5938 .5434 .4700 .5006 -.1536 75 ASN 75 -3.4329 .3778 999.9900 999.9900 .3587 -.8988 .2200 .0219 .1045 -.4909 76 LEU 76 -.8188 -1.9410 999.9900 999.9900 .6258 -.7113 .1382 .1396 .1390 -.3713 77 GLU 77 -1.9801 -.9977 999.9900 -1.0323 .5112 -.8748 .1549 .2437 .2067 -.5167 78 ASP 78 -1.1493 -1.1348 999.9900 999.9900 .6856 -.5329 -.0063 -.0700 -.0435 -.3350 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .9364 -.5038 -.1666 .5437 .2280 -.1577 80 LYS 80 -.3811 1.1634 999.9900 .1731 -2.0338 -.1811 .3073 .1138 .1944 -.0692 81 TYR 81 -.0710 .8258 999.9900 999.9900 .2066 .3205 -.1097 .6000 .3043 .2903 82 LEU 82 -.0536 .5280 999.9900 999.9900 -.0758 .1329 -.6288 .3450 -.0607 .0230 83 GLN 83 -.6834 .6816 999.9900 1.3059 .3348 .4097 -.5954 .4985 .0428 .2570 84 PHE 84 -.2255 .8396 999.9900 999.9900 .5949 .4030 -.2728 .6327 .2554 .3138 85 ILE 85 -.2299 .6227 999.9900 999.9900 .5300 .3076 -.0308 .5834 .3275 .2951 86 TYR 86 .3730 .5380 999.9900 999.9900 -.1498 .2537 .4749 .6909 .6009 .3854 87 ASP 87 -3.3417 -2.0928 999.9900 999.9900 .5431 -1.6305 .3758 -.1588 .0640 -.9349 88 ARG 88 -2.9267 -.2494 999.9900 .6901 .5640 -.2464 .5643 .0442 .2609 -.0891 89 ASP 89 -3.3417 -.4551 999.9900 999.9900 .2628 -1.1780 .0931 -.0105 .0326 -.6903 90 ARG 90 -2.2658 .8164 999.9900 .1593 -.5739 -.3409 .1353 -.1824 -.0500 -.2503 91 THR 91 .1937 999.9900 -.8810 999.9900 .1092 -.1927 -.0309 -.0363 -.0341 -.1291 92 PHE 92 .0900 .1608 999.9900 999.9900 -.4285 -.0592 .0039 .3985 .2340 .0449 93 TYR 93 .0686 .0668 999.9900 999.9900 -.2672 -.0439 .3720 .5550 .4788 .1591 94 VAL 94 -.0288 999.9900 -.5532 999.9900 .1378 -.1481 .1276 .6625 .4397 .0692 95 ILE 95 .3059 -.2165 999.9900 999.9900 -1.2029 -.3712 -.3234 .3655 .0784 -.2143 96 ILE 96 .5210 -3.0500 999.9900 999.9900 .4089 -.7067 -1.2070 .2933 -.3318 -.6068 97 TYR 97 -.4658 -.2802 999.9900 999.9900 -.5629 -.4363 -.0397 .3416 .1827 -.2014 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 -.7584 -1.8654 -.0645 .4056 .1967 -.8474 99 HIS 99 -3.0884 -.0777 999.9900 999.9900 .5185 -.8825 -.4544 .6074 .1650 -.4989 100 ASN 100 -.0091 -.3237 999.9900 999.9900 .4442 .0371 .4149 .5159 .4738 .2084 101 MET 101 -2.6662 -.1452 999.9900 .9587 .0476 -.4513 .3285 .1827 .2435 -.2156 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .5320 .4178 .4667 .6042 Means: -.6526 -.2840 -.1239 .4136 -.1064 -.2495 -.1799 .3443 .1249 -.1211 2.00 refined_14