1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8016 .8016 .0305 .5601 .2953 .4640 2 SER 2 .8651 999.9900 .6576 999.9900 -.4586 .3547 .5471 .5559 .5523 .4334 3 ASP 3 -1.3478 -.5192 999.9900 999.9900 .8336 -.3444 .4723 .1816 .3027 -.0759 4 PRO 4 -.1156 999.9900 999.9900 999.9900 -.0243 -.0700 .5761 .6039 .5923 .2600 5 GLY 5 -1.6434 999.9900 999.9900 999.9900 .7039 -.4697 .3458 .5220 .4437 -.0179 6 PRO 6 .0235 999.9900 999.9900 999.9900 .4949 .2592 .5510 .6065 .5834 .4190 7 GLU 7 .7157 -.5578 999.9900 -1.0323 .0339 -.2101 .4590 .6625 .5777 .0468 8 ALA 8 .6496 999.9900 999.9900 999.9900 .6390 .6443 .4433 .6315 .5531 .5909 9 ALA 9 .7636 999.9900 999.9900 999.9900 .8152 .7894 .5871 .6862 .6449 .7130 10 ARG 10 1.1353 .7078 999.9900 .5548 .5247 .6955 .5717 .4930 .5258 .6489 11 LEU 11 .9913 .3419 999.9900 999.9900 .5787 .6373 -.5898 .4772 .0326 .3599 12 ARG 12 1.0056 1.0644 999.9900 .9503 .7064 .9354 .5007 .6738 .6017 .8359 13 PHE 13 1.2168 -.2975 999.9900 999.9900 -.9498 -.0102 .1497 .3810 .2846 .1000 14 ARG 14 -.3457 -.0540 999.9900 .7862 -.8847 .0576 .4302 -.5924 -.1663 .0180 15 CYS 15 .1379 999.9900 .1296 999.9900 -.3261 -.0195 .5969 .4878 .5333 .2052 16 PHE 16 -.6196 .7639 999.9900 999.9900 .0736 .0726 -.4505 .5655 .1422 .0666 17 HIS 17 -.5497 -.0777 999.9900 999.9900 -1.6368 -.7547 -2.0795 .1504 -.7788 -.8387 18 TYR 18 -.5013 -.2298 999.9900 999.9900 -.1498 -.2937 -2.0691 .0353 -.8415 -.5830 19 GLU 19 -.5863 -.8834 999.9900 -1.0323 -1.0906 -.8982 -1.3071 .2241 -.4139 -.7793 20 GLU 20 .4426 .5971 999.9900 -1.0323 .6899 .1743 .4053 .2522 .3160 .2258 21 ALA 21 .8001 999.9900 999.9900 999.9900 .6550 .7276 .5434 .5052 .5212 .6259 22 THR 22 -.1023 999.9900 -.8810 999.9900 .4476 -.1786 .2772 .4133 .3566 .0310 23 GLY 23 -.5702 999.9900 999.9900 999.9900 -.1350 -.3526 .6795 .1732 .3982 .0369 24 PRO 24 -.4052 999.9900 999.9900 999.9900 -.6674 -.5363 .5323 .6096 .5774 .0173 25 GLN 25 .9013 .2375 999.9900 1.3059 .9038 .8371 .5294 .5084 .5171 .7310 26 GLU 26 .6833 .2905 999.9900 -1.0323 -.1867 -.0613 .5868 .4741 .5211 .1359 27 ALA 27 .9879 999.9900 999.9900 999.9900 -.6283 .1798 .6738 .6713 .6723 .4261 28 LEU 28 .8786 .8847 999.9900 999.9900 .7348 .8327 .4750 .5498 .5187 .7046 29 ALA 29 .8001 999.9900 999.9900 999.9900 .7881 .7941 .6302 .6739 .6557 .7231 30 GLN 30 .6461 -.7562 999.9900 3.6599 .1963 .9365 .5028 .3297 .4018 .7631 31 LEU 31 1.1349 .9108 999.9900 999.9900 -.1723 .6244 .4143 .3770 .3925 .5329 32 ARG 32 .9011 .8024 999.9900 .7862 .0662 .6684 .6582 .5846 .6152 .6550 33 GLU 33 .8171 -.7009 999.9900 -1.0323 .6899 -.0566 .1803 -.0412 .0511 -.0145 34 LEU 34 1.1349 .8730 999.9900 999.9900 .2381 .7487 .5935 .6799 .6439 .7039 35 CYS 35 1.4696 999.9900 .1296 999.9900 -.6280 .3237 .5780 .6356 .6116 .4370 36 ARG 36 .6655 -2.0954 999.9900 1.2208 -.4506 .1122 -.3152 -.0057 -.1347 .0343 37 GLN 37 .9732 .4898 999.9900 1.3059 .6605 .8573 .5580 .3829 .4559 .7284 38 TRP 38 -1.7348 -1.0414 999.9900 999.9900 -.9146 -1.2303 .4269 -.0780 .1323 -.6684 39 LEU 39 .0401 -2.7185 999.9900 999.9900 .5293 -.7164 .4420 -.0594 .1495 -.3533 40 ARG 40 -2.5097 1.0644 999.9900 .5548 -1.3564 -.3384 .6289 .1404 .3439 -.1318 41 PRO 41 -.4824 999.9900 999.9900 999.9900 -.1935 -.3379 .3861 .2861 .3278 -.0009 42 GLU 42 .8604 .4305 999.9900 -1.0323 .1264 .0962 .5814 .2278 .3752 .1990 43 VAL 43 -2.3613 999.9900 -.0276 999.9900 -.0858 -.8249 .5401 .4501 .4876 -.2969 44 ARG 44 -.5614 .9821 999.9900 .5548 -.2445 .2572 .1030 .0529 .0738 .2060 45 SER 45 -.8144 999.9900 -.7153 999.9900 -.8619 -.7972 .1627 .2476 .2122 -.3963 46 LYS 46 1.2214 .6560 999.9900 1.0942 .6576 .9447 .2767 .4483 .3768 .7783 47 GLU 47 .8604 -.3719 999.9900 .3501 .5390 .3444 .4274 .1143 .2448 .3199 48 GLN 48 .3572 .5350 999.9900 1.3059 .2680 .6165 .3419 .6903 .5451 .5830 49 MET 49 .8064 .8879 999.9900 1.7963 -.8385 .6630 .2832 .5642 .4471 .5833 50 LEU 50 .8182 -1.6462 999.9900 999.9900 .7949 -.0110 .1283 .5034 .3471 .1197 51 GLU 51 .1185 .6046 999.9900 -1.0323 .5390 .0575 .3257 -.1212 .0650 .0724 52 LEU 52 1.1349 .8730 999.9900 999.9900 -.3368 .5570 .3361 .6555 .5224 .5325 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -1.0998 -.5769 .1442 -.0122 .0530 -.3198 54 VAL 54 1.0462 999.9900 .9747 999.9900 .5776 .8661 .5320 .5913 .5666 .7444 55 LEU 55 .8182 .5563 999.9900 999.9900 -1.0998 .0916 .5971 .3967 .4802 .2537 56 GLU 56 .1185 -.4224 999.9900 -1.0323 .0814 -.3137 .2969 .5648 .4532 -.0655 57 GLN 57 .9013 -2.6982 999.9900 1.3059 .3348 -.0391 .4117 .4207 .4170 .1127 58 PHE 58 1.2168 .8308 999.9900 999.9900 .2172 .7549 .6193 .6518 .6382 .7072 59 LEU 59 1.1349 .5402 999.9900 999.9900 .8331 .8361 .5149 .4425 .4726 .6931 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .5069 .1353 .6427 .6589 .6517 .3930 61 ALA 61 -.2252 999.9900 999.9900 999.9900 -.4068 -.3160 .6091 .6194 .6151 .1491 62 LEU 62 -.5813 .6031 999.9900 999.9900 .2381 .0866 .6427 .2225 .3976 .2250 63 PRO 63 .5449 999.9900 999.9900 999.9900 .5793 .5621 .4950 .3256 .3962 .4862 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .5793 -.4945 .5948 .5960 .5955 .0505 65 GLU 65 .8733 -.5578 999.9900 -1.0323 .5390 -.0445 .6158 .4071 .4940 .1408 66 ILE 66 .6852 .6227 999.9900 999.9900 .9338 .7473 .5070 .6227 .5745 .6743 67 GLN 67 1.2265 .6816 999.9900 1.3059 .7055 .9799 .6307 .5825 .6026 .8555 68 ALA 68 .8001 999.9900 999.9900 999.9900 .3801 .5901 .6777 .6959 .6883 .6385 69 ARG 69 1.1353 .3075 999.9900 .1593 .7064 .4936 .6260 .6133 .6186 .5296 70 VAL 70 .2188 999.9900 .4980 999.9900 .6503 .4557 .0606 .6576 .4089 .4171 71 GLN 71 .7451 -2.2325 999.9900 1.3059 .5636 .0955 .5694 .3922 .4661 .2240 72 GLY 72 -.2363 999.9900 999.9900 999.9900 -.2990 -.2677 .6351 .6428 .6394 .1856 73 GLN 73 -2.0516 -1.7668 999.9900 1.3059 .5113 -.5003 .1561 .1692 .1638 -.2793 74 ARG 74 -2.9267 .1897 999.9900 .1593 .4837 -.3869 .3594 .0560 .1824 -.2170 75 PRO 75 -.8433 999.9900 999.9900 999.9900 .6931 -.0751 .4859 .5552 .5264 .2227 76 GLY 76 .9055 999.9900 999.9900 999.9900 .3466 .6260 .5853 .6514 .6220 .6222 77 SER 77 .0280 999.9900 -.0289 999.9900 -1.9795 -.6601 .2782 .4060 .3527 -.2592 78 PRO 78 -.3299 999.9900 999.9900 999.9900 .5793 .1247 .5281 .2736 .3796 .2628 79 GLU 79 .6833 1.2631 999.9900 .3501 -.1867 .5274 .5126 .4064 .4507 .5048 80 GLU 80 .8733 -.3559 999.9900 -1.0323 -.1867 -.1754 .2922 .5516 .4435 .0237 81 ALA 81 .7636 999.9900 999.9900 999.9900 .6708 .7172 .5993 .6277 .6159 .6653 82 ALA 82 .5799 999.9900 999.9900 999.9900 .9520 .7660 .3327 .6492 .5173 .6285 83 ALA 83 .7636 999.9900 999.9900 999.9900 .6550 .7093 .2043 .4794 .3648 .5256 84 LEU 84 .8442 -2.9612 999.9900 999.9900 .6708 -.4820 .0566 -1.3585 -.7689 -.5496 85 VAL 85 .5660 999.9900 .1416 999.9900 -.1923 .1718 .6937 .3471 .4915 .3112 86 ASP 86 1.3227 -.5889 999.9900 999.9900 -.3974 .1121 .6537 .6677 .6619 .3316 87 GLY 87 .2494 999.9900 999.9900 999.9900 .6890 .4692 .5741 .6644 .6243 .5443 88 LEU 88 .6509 .8710 999.9900 999.9900 .4227 .6482 .6286 .6026 .6134 .6351 89 ARG 89 -2.9267 -.0184 999.9900 .1593 -.0022 -.5257 -.1059 -.0362 -.0652 -.3958 90 ARG 90 -.5383 -.0184 999.9900 .1593 .7064 .0937 .5876 .6223 .6078 .2397 91 GLU 91 -.2789 -.3402 999.9900 -1.0323 .6899 -.2404 .5164 .4179 .4589 -.0045 92 PRO 92 -1.4874 999.9900 999.9900 999.9900 -.1935 -.8405 .5814 .6072 .5964 -.1231 93 GLY 93 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 .0030 .5820 .3247 -.3987 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .5022 .5872 .5386 .5447 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .3827 .6323 .5253 .6142 96 SER 302 -1.4109 999.9900 -.0289 999.9900 -.0193 -.4864 .5190 .5901 .5605 -.0700 97 ASP 303 -.0745 -.9533 999.9900 999.9900 .8336 -.0647 .5579 .4745 .5093 .1677 98 PRO 304 .4698 999.9900 999.9900 999.9900 .4949 .4824 .5447 .4835 .5090 .4982 99 GLY 305 -.5417 999.9900 999.9900 999.9900 .7883 .1233 .3344 .4822 .4165 .2658 100 PRO 306 .6171 999.9900 999.9900 999.9900 -.1935 .2118 .5663 .4668 .5082 .3642 101 GLU 307 .1885 -.4402 999.9900 -1.0323 .1264 -.2894 .2503 .4741 .3808 -.0722 102 ALA 308 -.1584 999.9900 999.9900 999.9900 .5367 .1891 .5114 .6561 .5958 .3865 103 ALA 309 .9879 999.9900 999.9900 999.9900 .4999 .7439 .4571 .6351 .5609 .6450 104 ARG 310 .8469 .8164 999.9900 1.6274 .4407 1.0717 .6777 .4631 .5525 .9285 105 LEU 311 .9913 .3419 999.9900 999.9900 .4227 .5853 -.2481 .4378 .1520 .3891 106 ARG 312 .9011 1.0644 999.9900 .1593 -.0022 .4564 .3948 .1843 .2720 .4087 107 PHE 313 1.2230 .3192 999.9900 999.9900 -.5721 .3234 .0581 -.0354 .0036 .1986 108 ARG 314 -.3884 .4387 999.9900 .5548 .1299 .2580 .4389 .0356 .2037 .2521 109 CYS 315 .3033 999.9900 .1296 999.9900 1.0610 .4980 .5869 .5729 .5787 .5307 110 PHE 316 -.2664 .7639 999.9900 999.9900 .7193 .4056 .2853 .5251 .4252 .4054 111 HIS 317 -.1228 -.0777 999.9900 999.9900 -1.0138 -.4047 -1.2579 .2956 -.3517 -.4353 112 TYR 318 .0406 -.5584 999.9900 999.9900 .4594 -.0195 -1.3014 .0085 -.5373 -.2703 113 GLU 319 -1.6894 -1.3804 999.9900 -1.0323 -.1261 -1.0571 -.2757 -.2199 -.2431 -.7873 114 GLU 320 .6116 -.1887 999.9900 -1.0323 .6424 .0083 .1022 .0741 .0858 .0349 115 ALA 321 .8241 999.9900 999.9900 999.9900 -1.4870 -.3314 -.7100 .0542 -.2642 -.3297 116 THR 322 -.1023 999.9900 .6346 999.9900 .5490 .3604 -.5908 -1.4121 -1.0699 -.1843 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 .2782 -.3684 .1644 .4381 .3165 -.0335 118 PRO 324 -.4052 999.9900 999.9900 999.9900 -.0243 -.2148 .1946 .6078 .4356 .0932 119 GLN 325 1.2265 .2375 999.9900 1.3059 .6605 .8576 .4092 .5209 .4744 .7267 120 GLU 326 .6833 .8332 999.9900 1.1588 .3899 .7663 .5273 .6653 .6078 .7096 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.7624 .1127 .6804 .6681 .6732 .3935 122 LEU 328 .8475 .8847 999.9900 999.9900 .7348 .8223 .5262 .5530 .5418 .7092 123 ALA 329 .9879 999.9900 999.9900 999.9900 .8416 .9148 .6403 .6487 .6452 .7796 124 GLN 330 1.0381 -.1114 999.9900 1.3059 .1963 .6072 .4055 .3177 .3543 .5253 125 LEU 331 1.1349 .9108 999.9900 999.9900 -.1723 .6244 .0917 .4567 .3046 .4843 126 ARG 332 1.0056 .8164 999.9900 1.3169 .0662 .9044 .5356 .5929 .5690 .8072 127 GLU 333 .8171 -.3249 999.9900 -1.0323 .6899 .0374 -.2535 -.3432 -.3058 -.0745 128 LEU 334 .8786 .8730 999.9900 999.9900 -.2790 .4909 .5543 .6648 .6188 .5383 129 CYS 335 1.4696 999.9900 1.2918 999.9900 .4013 1.0542 .4796 .5225 .5046 .8329 130 ARG 336 .6655 -2.0954 999.9900 .1593 -.5739 -.3371 -.0393 -.1831 -.1232 -.2725 131 GLN 337 .4537 .4898 999.9900 1.3059 -.5521 .4243 .5877 .2554 .3939 .4234 132 TRP 338 -.9087 -1.0414 999.9900 999.9900 -.9146 -.9549 .2132 -.4065 -.1483 -.6116 133 LEU 339 -.7230 -2.9612 999.9900 999.9900 .4504 -1.0779 .4063 -.0571 .1360 -.5769 134 ARG 340 -2.9267 1.0644 999.9900 .1593 .6017 -.1884 .1324 .1573 .1469 -.0932 135 PRO 341 .0709 999.9900 999.9900 999.9900 .7618 .4164 .2795 .5097 .4138 .4055 136 GLU 342 1.0761 .6046 999.9900 -1.0323 .2101 .2146 .4895 .6195 .5653 .3279 137 VAL 343 -1.3532 999.9900 .1416 999.9900 .6025 -.2030 .4847 .5238 .5075 .0799 138 ARG 344 -.5614 1.1699 999.9900 .5548 -1.7309 -.0026 -.5255 .1390 -.1379 -.0570 139 SER 345 -.7443 999.9900 .3727 999.9900 -2.5979 -.9898 -.1980 .2087 .0393 -.5918 140 LYS 346 .2805 .6560 999.9900 .3240 .1791 .3528 -.6592 -.4743 -.5513 .0900 141 GLU 347 .8733 .8034 999.9900 -1.0323 .5923 .3092 -.3686 .6437 .2219 .2519 142 GLN 348 -.0365 .5350 999.9900 1.3059 -1.2230 .1453 .1256 .4045 .2883 .1852 143 MET 349 1.1168 -1.7864 999.9900 .9587 -.1136 .0439 .2600 .3486 .3117 .1307 144 LEU 350 .8182 .8730 999.9900 999.9900 .7753 .8222 .3980 .5983 .5148 .6926 145 GLU 351 .1185 .4305 999.9900 -1.0323 .2101 -.0683 .3609 .0855 .2003 .0289 146 LEU 352 .8475 .8730 999.9900 999.9900 -.3368 .4612 -.0883 .6526 .3439 .3896 147 LEU 353 -.0169 -.0082 999.9900 999.9900 -1.2350 -.4200 -.2622 .0960 -.0532 -.2852 148 VAL 354 1.0462 999.9900 .5873 999.9900 .2853 .6396 .4974 .4967 .4970 .5826 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .9730 -.1708 .4145 .2285 .3060 .0261 150 GLU 356 .7157 -.3719 999.9900 -1.0323 -.1867 -.2188 .5905 .4621 .5156 .0296 151 GLN 357 .6461 -2.6982 999.9900 1.3059 -.4029 -.2873 .4547 .5429 .5061 -.0253 152 PHE 358 1.2168 .8308 999.9900 999.9900 .9272 .9916 .5617 .6318 .6026 .8337 153 LEU 359 .8475 .5402 999.9900 999.9900 .7139 .7005 .5234 .2733 .3775 .5797 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .4101 -.0017 .6521 .6445 .6479 .3233 155 ALA 361 -.1113 999.9900 999.9900 999.9900 -.6283 -.3698 .6087 .6409 .6275 .1275 156 LEU 362 -.5813 .9108 999.9900 999.9900 -.8739 -.1815 .4325 .4144 .4220 .0605 157 PRO 363 .3744 999.9900 999.9900 999.9900 -.1935 .0905 .1401 .1116 .1235 .1082 158 PRO 364 .0003 999.9900 999.9900 999.9900 .8563 .4283 .5390 .5082 .5210 .4759 159 GLU 365 .8733 -.8834 999.9900 -1.0323 1.0761 .0084 .4119 .2901 .3408 .1226 160 ILE 366 .6852 .6227 999.9900 999.9900 .4912 .5997 .5512 .6414 .6038 .5983 161 GLN 367 1.2265 .7444 999.9900 1.3059 .2680 .8862 .5526 .5599 .5568 .7762 162 ALA 368 .9879 999.9900 999.9900 999.9900 .2908 .6393 .6508 .6731 .6638 .6506 163 ARG 369 1.1353 .3075 999.9900 1.3169 .4407 .9035 .6632 .6168 .6361 .8282 164 VAL 370 .2188 999.9900 .4980 999.9900 .6959 .4709 .2784 .6248 .4805 .4632 165 GLN 371 .7451 -2.2325 999.9900 1.3059 .1963 .0037 .3946 .5099 .4619 .1532 166 GLY 372 -.0858 999.9900 999.9900 999.9900 .0951 .0047 .4186 .5770 .5066 .2512 167 GLN 373 -2.0516 -1.7668 999.9900 1.3059 -.0576 -.6425 .1779 .2000 .1908 -.3654 168 ARG 374 -2.9267 .1897 999.9900 1.0856 -.2445 -.1621 .2738 -.0774 .0689 -.0877 169 PRO 375 -3.6843 999.9900 999.9900 999.9900 .9143 -1.3850 .3313 .6026 .4896 -.4590 170 GLY 376 .9055 999.9900 999.9900 999.9900 .9364 .9210 .5115 .5946 .5577 .7370 171 SER 377 .1980 999.9900 -.0289 999.9900 -1.1621 -.3310 .2769 .3448 .3165 -.0743 172 PRO 378 -.8433 999.9900 999.9900 999.9900 .1187 -.3623 .4969 .3004 .3823 .0182 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -2.5035 -.4500 .6463 .3741 .4875 -.1299 174 GLU 380 .8733 -.2267 999.9900 -1.0323 .0339 -.0880 .4328 .5594 .5067 .1067 175 ALA 381 .6648 999.9900 999.9900 999.9900 .7881 .7264 .5881 .6723 .6372 .6783 176 ALA 382 .5799 999.9900 999.9900 999.9900 .4999 .5399 .5202 .6436 .5922 .5609 177 ALA 383 .7636 999.9900 999.9900 999.9900 .2671 .5153 .6268 .5707 .5941 .5570 178 LEU 384 .8442 -3.3760 999.9900 999.9900 .7753 -.5855 .0963 -1.1727 -.6440 -.5666 179 VAL 385 .1911 999.9900 .3968 999.9900 .0545 .2141 .6220 .6037 .6114 .3736 180 ASP 386 1.1359 -.5059 999.9900 999.9900 .6026 .4108 .5331 .6928 .6263 .4917 181 GLY 387 -.5849 999.9900 999.9900 999.9900 .0951 -.2449 .5589 .6913 .6325 .1901 182 LEU 388 -.2311 .8730 999.9900 999.9900 .8331 .4917 .6269 .6547 .6431 .5513 183 ARG 389 -2.9267 -.1448 999.9900 1.0776 -1.7309 -.5294 .2725 .6760 .5079 -.2427 184 ARG 390 -1.0952 -1.5080 999.9900 .6901 -.2445 -.2935 .4239 -.2328 .0408 -.1824 185 GLU 391 -1.7894 -.1645 999.9900 -1.0323 -2.5035 -1.3724 .5892 .1057 .3072 -.7991 186 PRO 392 -1.8432 999.9900 999.9900 999.9900 .6931 -.5750 .4292 .3097 .3595 -.1028 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 -.3862 .3680 .0328 -.6791 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .0326 .4396 .2361 .2361 Means: .1216 -.0920 .2437 .3962 .1122 .1250 .3185 .3780 .3531 .2127 2.00 refined_18