1 GLY 1 999.9900 999.9900 999.9900 999.9900 .4101 .4101 .4696 .4753 .4725 .4517 2 SER 2 -2.5541 999.9900 -.7153 999.9900 .1994 -1.0234 .4481 .4311 .4382 -.4382 3 ASP 3 -2.2314 -3.1847 999.9900 999.9900 -.7687 -2.0616 .3365 .1055 .2018 -1.1486 4 PRO 4 -5.1268 999.9900 999.9900 999.9900 -1.6867 -3.4068 .4194 .2912 .3446 -1.5257 5 GLY 5 -.8286 999.9900 999.9900 999.9900 -.0631 -.4458 .4123 .1558 .2698 -.0809 6 PRO 6 .6171 999.9900 999.9900 999.9900 .6188 .6180 .2393 .6124 .4570 .5219 7 GLU 7 .8733 -.6497 999.9900 -1.0323 1.0761 .0668 .5925 .6066 .6007 .2444 8 ALA 8 .2107 999.9900 999.9900 999.9900 -1.1070 -.4482 .6564 .6482 .6516 .1021 9 ALA 9 .7636 999.9900 999.9900 999.9900 .0817 .4226 .4812 .6409 .5744 .4918 10 ARG 10 .8469 .8024 999.9900 .6901 .7064 .7472 .6451 .5499 .5895 .7044 11 LEU 11 .8182 -.2851 999.9900 999.9900 .3942 .3091 -.0133 .3178 .1799 .2464 12 ARG 12 1.1353 1.1781 999.9900 1.6274 .5640 1.2264 .4682 .6596 .5798 1.0371 13 PHE 13 1.1962 .5389 999.9900 999.9900 -.0075 .5759 .4523 .1185 .2576 .4597 14 ARG 14 -.3457 .1080 999.9900 1.0856 .4407 .4748 -.1436 .6030 .2919 .4048 15 CYS 15 -.2798 999.9900 .1296 999.9900 .5249 .1249 .5258 .5115 .5175 .2824 16 PHE 16 -.5560 -.6308 999.9900 999.9900 -.0075 -.3981 -.1386 .5295 .2511 -.1607 17 HIS 17 -.1228 .1724 999.9900 999.9900 -.6493 -.1999 -.3913 .2922 .0074 -.1398 18 TYR 18 -.5013 .2264 999.9900 999.9900 .7784 .1678 -.8363 .0289 -.3316 -.0608 19 GLU 19 -1.0962 -.7281 999.9900 -1.0323 .4526 -.6010 -.2896 .4125 .1200 -.3802 20 GLU 20 .1449 -.1887 999.9900 -1.0323 1.0761 .0000 .5749 .3983 .4719 .1622 21 ALA 21 .8001 999.9900 999.9900 999.9900 .6550 .7276 .6724 .4810 .5607 .6521 22 THR 22 -.2485 999.9900 -.8810 999.9900 -.2561 -.4619 .1357 .4115 .2966 -.1677 23 GLY 23 -.5702 999.9900 999.9900 999.9900 -1.1231 -.8467 .6689 -.6033 -.0379 -.4069 24 PRO 24 -1.9929 999.9900 999.9900 999.9900 -.4005 -1.1967 -.7808 .4873 -.0411 -.6717 25 GLN 25 .1338 -.2198 999.9900 1.3059 -1.6155 -.0989 -.9958 -.3684 -.6299 -.2933 26 GLU 26 .6833 .8034 999.9900 -1.0323 -.9305 -.1190 .6402 .4921 .5538 .1093 27 ALA 27 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .5984 .6250 .6139 .4685 28 LEU 28 .8182 .8847 999.9900 999.9900 .7348 .8126 .3670 .4687 .4263 .6547 29 ALA 29 .6648 999.9900 999.9900 999.9900 .9520 .8084 .4864 .6587 .5869 .6905 30 GLN 30 .6461 1.1815 999.9900 1.3059 .0346 .7920 .2036 .3427 .2848 .6191 31 LEU 31 1.1349 .9108 999.9900 999.9900 .3942 .8133 .1933 .6461 .4575 .6559 32 ARG 32 .9011 .8024 999.9900 1.3169 .4407 .9556 .3861 .5110 .4590 .8107 33 GLU 33 .8733 .7809 999.9900 -1.0323 .3568 .2446 .5665 .4065 .4732 .3253 34 LEU 34 1.1349 .8710 999.9900 999.9900 .9565 .9875 .5649 .6720 .6274 .8399 35 CYS 35 1.4696 999.9900 .1296 999.9900 -1.7809 -.0606 .5891 .6366 .6168 .2088 36 ARG 36 .8469 -2.0954 999.9900 .6901 -.0022 .0259 .1975 -.1502 -.0053 .0252 37 GLN 37 .9732 1.2376 999.9900 1.3059 .3348 .9629 -.1251 .4284 .1978 .6925 38 TRP 38 -2.2560 -1.1671 999.9900 999.9900 .5918 -.9438 .2136 -.3199 -.0976 -.5875 39 LEU 39 .0401 .8710 999.9900 999.9900 -.2242 .2290 .4021 .6450 .5438 .3468 40 ARG 40 -2.9267 .9983 999.9900 .7862 .7064 .0701 .5929 -.1165 .1791 .1181 41 PRO 41 .4523 999.9900 999.9900 999.9900 -.1935 .1294 .4883 .5710 .5365 .3295 42 GLU 42 -.1289 -.3402 999.9900 -1.0323 -1.0906 -.6480 .6406 .6924 .6709 -.2098 43 VAL 43 -1.8566 999.9900 .6672 999.9900 -.2503 -.4799 .1465 .5883 .4042 -.1410 44 ARG 44 -.3884 1.0858 999.9900 .6901 .3956 .4946 -.9699 .3559 -.1965 .2656 45 SER 45 -.1368 999.9900 .3727 999.9900 .5215 .2525 -.0271 -.0458 -.0380 .1369 46 LYS 46 1.0429 1.1634 999.9900 .1731 .0525 .5210 .5136 .4486 .4757 .5096 47 GLU 47 .8604 -.1645 999.9900 -1.0323 -.1867 -.1308 .5297 .2419 .3618 .0414 48 GLN 48 .7370 1.1250 999.9900 1.3059 .5113 .9198 .6662 .5919 .6229 .8229 49 MET 49 1.1168 .8879 999.9900 .9587 -.3043 .6648 .3411 .5577 .4674 .5930 50 LEU 50 .2355 -1.6462 999.9900 999.9900 .3648 -.3486 .2862 .5054 .4141 -.0509 51 GLU 51 .7157 .7809 999.9900 -1.0323 .5112 .2438 .2387 .5023 .3925 .2861 52 LEU 52 1.1349 .8730 999.9900 999.9900 .4774 .8284 .4389 .6966 .5892 .7242 53 LEU 53 .6509 .1629 999.9900 999.9900 -.6894 .0415 -.6808 -.0011 -.2843 -.1115 54 VAL 54 1.0462 999.9900 .9747 999.9900 .1378 .7195 .5759 .5509 .5613 .6571 55 LEU 55 .8786 .4002 999.9900 999.9900 .2713 .5167 .5129 .3367 .4102 .4799 56 GLU 56 .1185 -.4584 999.9900 1.1588 -.1867 .1580 .4225 .4938 .4641 .2581 57 GLN 57 .9013 -1.7668 999.9900 1.3059 .1963 .1592 .2553 .4821 .3876 .2290 58 PHE 58 1.2168 .5389 999.9900 999.9900 -.0075 .5827 .6498 .6494 .6496 .6095 59 LEU 59 1.1349 -.9358 999.9900 999.9900 .9565 .3852 .2765 .1507 .2031 .3166 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .0036 -.2050 .6551 .6304 .6414 .2189 61 ALA 61 .5364 999.9900 999.9900 999.9900 -1.0083 -.2359 .6055 .5908 .5969 .1811 62 LEU 62 -.7094 .9108 999.9900 999.9900 -.0758 .0419 .5935 .1851 .3553 .1808 63 PRO 63 .4197 999.9900 999.9900 999.9900 .8563 .6380 .1822 .0067 .0798 .3662 64 PRO 64 -3.0630 999.9900 999.9900 999.9900 .4496 -1.3067 .5240 .4743 .4950 -.4038 65 GLU 65 .8733 -.1645 999.9900 -1.0323 .6899 .0916 .4266 .5318 .4879 .2208 66 ILE 66 .6852 .6227 999.9900 999.9900 .0546 .4542 .5864 .6229 .6077 .5144 67 GLN 67 .8469 .6816 999.9900 1.3059 .0346 .7172 .6088 .6262 .6190 .6840 68 ALA 68 .8001 999.9900 999.9900 999.9900 .3801 .5901 .5771 .6551 .6226 .6031 69 ARG 69 1.0056 .1897 999.9900 1.0005 .2455 .6884 .6375 .5303 .5750 .6585 70 VAL 70 .5660 999.9900 .5873 999.9900 -.8010 .1174 .0031 -.0236 -.0125 .0664 71 GLN 71 .0924 -.8787 999.9900 1.3059 .1963 .1790 .4882 -.0545 .1716 .1916 72 GLY 72 1.2494 999.9900 999.9900 999.9900 .2782 .7638 .4072 .6781 .5577 .6532 73 GLN 73 -.3431 -.6527 999.9900 1.3059 -1.6155 -.3264 .3769 .3849 .3816 -.0906 74 ARG 74 -2.9267 .1080 999.9900 .1593 -.5739 -.6148 -.1513 .0347 -.0428 -.4558 75 PRO 75 -1.2813 999.9900 999.9900 999.9900 .6931 -.2941 -.1969 .3544 .1247 -.1077 76 GLY 76 .9055 999.9900 999.9900 999.9900 -1.3818 -.2382 .5201 .6649 .6005 .1772 77 SER 77 .0135 999.9900 .6576 999.9900 -.1244 .1823 .2930 .3184 .3078 .2316 78 PRO 78 -.8433 999.9900 999.9900 999.9900 .6931 -.0751 .6614 .5194 .5786 .2577 79 GLU 79 .8733 1.2631 999.9900 -1.0323 -.3984 .1764 .2695 .5895 .4562 .2608 80 GLU 80 .8733 -.2267 999.9900 -1.0323 .3223 -.0159 .1668 .5708 .4024 .1123 81 ALA 81 .8241 999.9900 999.9900 999.9900 .5367 .6804 .6044 .6294 .6190 .6486 82 ALA 82 .8241 999.9900 999.9900 999.9900 .8018 .8129 .3054 .5478 .4468 .6198 83 ALA 83 .7636 999.9900 999.9900 999.9900 .6227 .6931 .5788 .5816 .5804 .6367 84 LEU 84 .8442 -3.3760 999.9900 999.9900 .5787 -.6510 .2668 -.9556 -.4463 -.5284 85 VAL 85 .5660 999.9900 -.5532 999.9900 -.5257 -.1710 .5915 .0778 .2919 .0313 86 ASP 86 .8349 -.5059 999.9900 999.9900 -.3226 .0021 .5795 .6710 .6329 .2514 87 GLY 87 -1.5291 999.9900 999.9900 999.9900 .3016 -.6137 .5537 .6765 .6220 .0007 88 LEU 88 .2872 .8710 999.9900 999.9900 .7139 .6240 .6214 .6127 .6163 .6212 89 ARG 89 -.4248 -.1448 999.9900 .9503 .5640 .3790 .1589 .5763 .4024 .3757 90 ARG 90 -.4248 .7735 999.9900 .6901 .7064 .4870 .5064 .5449 .5289 .4981 91 GLU 91 -2.3953 -.4584 999.9900 .3501 .7566 -.4367 .4957 .3884 .4331 -.1438 92 PRO 92 -2.0783 999.9900 999.9900 999.9900 .9143 -.5820 .3627 .5919 .4964 -.0524 93 GLY 93 -2.2927 999.9900 999.9900 999.9900 .6270 -.8329 .1724 .6626 .4447 -.2077 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4965 .6668 .5695 .5817 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .6270 .6270 .2421 .6238 .4602 .4976 96 SER 302 -1.2119 999.9900 -.7153 999.9900 .8922 -.3450 .3736 .6613 .5414 .0000 97 ASP 303 -1.3478 -1.0518 999.9900 999.9900 .6026 -.5990 .5576 .4831 .5142 -.1513 98 PRO 304 -3.5209 999.9900 999.9900 999.9900 -.8366 -2.1787 .5247 .4658 .4903 -.8417 99 GLY 305 -1.7079 999.9900 999.9900 999.9900 -.7584 -1.2332 .5180 .0752 .2720 -.4683 100 PRO 306 .4216 999.9900 999.9900 999.9900 .4496 .4356 .5321 .6438 .5973 .5118 101 GLU 307 .8171 -.2670 999.9900 -1.0323 .3899 -.0231 .4135 .5066 .4678 .1379 102 ALA 308 .5364 999.9900 999.9900 999.9900 .4999 .5182 .5944 .6788 .6436 .5774 103 ALA 309 .9879 999.9900 999.9900 999.9900 .0520 .5199 .4548 .6781 .5851 .5432 104 ARG 310 .8469 .8164 999.9900 .1593 .6379 .5240 .6163 .5282 .5649 .5378 105 LEU 311 1.1349 .3419 999.9900 999.9900 -.0758 .4670 -.6961 .2102 -.1675 .1830 106 ARG 312 1.0056 1.1781 999.9900 1.7915 .7064 1.2946 .3956 .3525 .3705 1.0316 107 PHE 313 1.0502 .1483 999.9900 999.9900 -.0075 .3970 .5605 -.0386 .2110 .3426 108 ARG 314 -.0126 -.0184 999.9900 .1593 .7064 .1988 .5394 .5670 .5555 .3001 109 CYS 315 1.0802 999.9900 .1296 999.9900 .6355 .6151 .6016 .6408 .6244 .6175 110 PHE 316 -.8057 -.1118 999.9900 999.9900 .8956 -.0073 .0908 .6221 .4007 .1382 111 HIS 317 -.1228 -.0777 999.9900 999.9900 -.0263 -.0756 -.8657 .2125 -.2367 -.1760 112 TYR 318 -.5013 .5380 999.9900 999.9900 .3421 .1262 -1.1264 -.2200 -.5977 -.1935 113 GLU 319 -1.1136 -.7281 999.9900 -1.0323 .0339 -.7100 -.1688 .2597 .0812 -.4582 114 GLU 320 .6116 -.3402 999.9900 -1.0323 .2101 -.1377 .2922 .3948 .3520 .0227 115 ALA 321 .5799 999.9900 999.9900 999.9900 -.1129 .2335 .6424 .5271 .5752 .4091 116 THR 322 -.1023 999.9900 -.8810 999.9900 .0572 -.3087 .3051 .5205 .4307 -.0201 117 GLY 323 -.5702 999.9900 999.9900 999.9900 -.6865 -.6283 .6977 -.4278 .0724 -.2467 118 PRO 324 -1.9929 999.9900 999.9900 999.9900 -1.0436 -1.5183 -1.1351 .5207 -.1693 -.9127 119 GLN 325 .1338 .1167 999.9900 1.3059 -.5521 .2511 -1.3699 -.2833 -.7361 -.1082 120 GLU 326 .6833 .8034 999.9900 -1.0323 -1.8950 -.3602 .4827 .4419 .4589 -.0860 121 ALA 327 .9879 999.9900 999.9900 999.9900 .2671 .6275 .4325 .6302 .5478 .5794 122 LEU 328 .8786 .8730 999.9900 999.9900 .7753 .8423 .3342 .4148 .3812 .6552 123 ALA 329 .7636 999.9900 999.9900 999.9900 .6390 .7013 .6463 .6569 .6525 .6764 124 GLN 330 1.2265 1.1815 999.9900 1.3059 -.4029 .8277 .2084 .4861 .3704 .6676 125 LEU 331 1.1349 .6236 999.9900 999.9900 .5293 .7626 .3609 .6419 .5248 .6581 126 ARG 332 .9011 .8024 999.9900 .1593 .4407 .4926 .2057 .6281 .4521 .4710 127 GLU 333 .7157 .6046 999.9900 -1.0323 .7127 .2502 .4470 .4465 .4467 .3157 128 LEU 334 1.1349 .8710 999.9900 999.9900 .5787 .8615 .6385 .6517 .6462 .7750 129 CYS 335 1.0802 999.9900 .1296 999.9900 .4013 .5370 .5167 .6516 .5954 .5559 130 ARG 336 .6655 -1.8960 999.9900 .7862 -.0022 .0679 .2592 .2137 .2327 .1161 131 GLN 337 .3572 1.1815 999.9900 1.3059 .5636 .8520 .0526 .5542 .3452 .6692 132 TRP 338 -2.7772 -1.9067 999.9900 999.9900 .4467 -1.4124 .0446 -.0536 -.0127 -.8492 133 LEU 339 .8442 .5402 999.9900 999.9900 .7753 .7199 .2302 .2809 .2598 .5342 134 ARG 340 -2.9267 1.0858 999.9900 .7862 .5640 .0591 .6454 .0299 .2864 .1387 135 PRO 341 -.6976 999.9900 999.9900 999.9900 .7618 .0321 .4532 .1782 .2928 .1739 136 GLU 342 .8171 -.3402 999.9900 -1.0323 .1264 -.1073 .2677 .3730 .3292 .0353 137 VAL 343 -2.3613 999.9900 .1416 999.9900 .6734 -.5154 .3713 .5354 .4670 -.1279 138 ARG 344 -.5614 1.0858 999.9900 1.2696 .7064 .7540 -.6717 .2263 -.1479 .4749 139 SER 345 -.9779 999.9900 -.7153 999.9900 -.4586 -.7173 -.0619 .3929 .2034 -.3642 140 LYS 346 1.0429 -2.9005 999.9900 .3240 .8827 -.0654 .1979 .4195 .3272 .0415 141 GLU 347 .7157 -.7281 999.9900 -1.0323 .7127 -.0830 -.4001 -.1728 -.2675 -.1508 142 GLN 348 .9732 1.1250 999.9900 1.3059 .1963 .9001 .4713 .5718 .5299 .7739 143 MET 349 1.1168 .8879 999.9900 .9587 -.5376 .6064 .3437 .5601 .4699 .5549 144 LEU 350 .8182 -1.8410 999.9900 999.9900 .6708 -.1173 -.0228 .5091 .2875 .0269 145 GLU 351 .7157 .7809 999.9900 -1.0323 .3568 .2052 .3255 .5056 .4306 .2753 146 LEU 352 1.1349 .9108 999.9900 999.9900 .2713 .7723 .3815 .6394 .5319 .6676 147 LEU 353 .6509 -1.7554 999.9900 999.9900 -.7775 -.6273 -.3005 -.7156 -.5427 -.5796 148 VAL 354 1.0462 999.9900 .9224 999.9900 .0545 .6743 .4511 .5101 .4855 .5968 149 LEU 355 .8182 .5563 999.9900 999.9900 .9730 .7825 .6355 .4144 .5065 .6795 150 GLU 356 .7157 -.4402 999.9900 .3501 .1264 .1880 .3121 .3904 .3578 .2424 151 GLN 357 .6461 -2.6982 999.9900 3.6599 -.7286 .2198 .4960 .4721 .4821 .3079 152 PHE 358 1.2168 .8308 999.9900 999.9900 .5949 .8808 .5514 .6815 .6273 .7751 153 LEU 359 1.1349 -.9061 999.9900 999.9900 .6926 .3071 .3602 .3784 .3708 .3320 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .0036 -.2050 .6793 .6457 .6606 .2288 155 ALA 361 .8001 999.9900 999.9900 999.9900 -.7624 .0188 .6476 .6323 .6387 .3294 156 LEU 362 -.7094 .9108 999.9900 999.9900 .5787 .2600 .6641 -.0253 .2620 .2838 157 PRO 363 .4197 999.9900 999.9900 999.9900 -.0243 .1977 .2415 -.0073 .0964 .1574 158 PRO 364 -1.5682 999.9900 999.9900 999.9900 .8563 -.3560 .5577 .4816 .5133 .0819 159 GLU 365 .8733 -.3402 999.9900 1.1588 .6899 .5954 .4661 .6326 .5633 .5801 160 ILE 366 .6852 .6227 999.9900 999.9900 .7362 .6814 .4425 .5550 .5081 .6083 161 GLN 367 1.0381 .6816 999.9900 1.3059 .5113 .8842 .4708 .5587 .5221 .7611 162 ALA 368 .8001 999.9900 999.9900 999.9900 -.1129 .3436 .6596 .6699 .6656 .5042 163 ARG 369 1.1353 .3427 999.9900 .1593 -.4506 .2692 .6548 .6556 .6553 .3795 164 VAL 370 .9834 999.9900 .7395 999.9900 .1768 .6332 .4898 .5083 .5006 .5796 165 GLN 371 -.0629 -2.6982 999.9900 1.3059 .7055 -.1874 .4750 .5922 .5434 .0529 166 GLY 372 1.2494 999.9900 999.9900 999.9900 -.0631 .5932 .5450 .6576 .6076 .5972 167 GLN 373 -.9796 -.5355 999.9900 1.3059 -.0576 -.0667 .5359 .2620 .3762 .0885 168 ARG 374 -2.9267 .3427 999.9900 .9503 .7064 .0046 .4450 .2485 .3304 .1024 169 PRO 375 -.8433 999.9900 999.9900 999.9900 .6188 -.1122 .2610 .5639 .4377 .1501 170 GLY 376 .9055 999.9900 999.9900 999.9900 -.5578 .1739 .2356 .6478 .4646 .3078 171 SER 377 .1980 999.9900 -.0289 999.9900 -.1819 -.0043 .2197 .3593 .3011 .1132 172 PRO 378 .0709 999.9900 999.9900 999.9900 .5793 .3251 .4947 .4301 .4570 .3938 173 GLU 379 .8733 1.0525 999.9900 -1.0323 -.1261 .1918 .3414 .4690 .4158 .2629 174 GLU 380 .8171 -.3559 999.9900 -1.0323 -.1867 -.1895 .1709 .5506 .3924 -.0061 175 ALA 381 .8241 999.9900 999.9900 999.9900 .6390 .7316 .6327 .6751 .6574 .6927 176 ALA 382 .5799 999.9900 999.9900 999.9900 .6550 .6175 .3576 .5235 .4544 .5290 177 ALA 383 .7636 999.9900 999.9900 999.9900 .6708 .7172 .6338 .5776 .6010 .6614 178 LEU 384 .8442 -3.3760 999.9900 999.9900 .6258 -.6353 .2686 -.7617 -.3324 -.4798 179 VAL 385 .5660 999.9900 -.5532 999.9900 -.9137 -.3003 .6410 .1236 .3392 -.0273 180 ASP 386 .3915 -3.7306 999.9900 999.9900 -.3226 -1.2206 .6031 .4203 .4965 -.5277 181 GLY 387 -1.5291 999.9900 999.9900 999.9900 -.2990 -.9140 .5333 .6681 .6082 -.1567 182 LEU 388 .8475 .8710 999.9900 999.9900 .9565 .8917 .4346 .5079 .4773 .7235 183 ARG 389 -.6641 -.0184 999.9900 .1593 .3956 .0064 .4047 .6506 .5481 .1553 184 ARG 390 -.6367 .6306 999.9900 .1593 -.1565 .0312 .3770 .4789 .4364 .1446 185 GLU 391 -1.2298 -.2267 999.9900 1.7325 -.1867 .0223 .4410 .5149 .4841 .1742 186 PRO 392 -2.7614 999.9900 999.9900 999.9900 -.4005 -1.5810 -.0750 .4847 .2515 -.6880 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .6890 -1.3987 -.8273 .6433 -.0103 -.7453 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -2.1210 -.1415 -1.1313 -1.1313 Means: .0610 -.0180 .0269 .4531 .1546 .1350 .3015 .4073 .3629 .2188 2.00 refined_8