1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .1192 .5938 .3565 .5135 2 SER 2 -.7578 999.9900 -.7153 999.9900 .7781 -.2317 -.0555 .6560 .3595 -.0189 3 ASP 3 -.7471 -1.5469 999.9900 999.9900 -.3974 -.8971 .3330 .5633 .4673 -.3590 4 PRO 4 .0709 999.9900 999.9900 999.9900 .8563 .4636 .5849 .4408 .5009 .4882 5 GLY 5 -.4135 999.9900 999.9900 999.9900 .4101 -.0017 .3354 .3903 .3659 .1805 6 PRO 6 -.1156 999.9900 999.9900 999.9900 -.1935 -.1545 .6187 .5642 .5869 .2185 7 GLU 7 .8171 .6231 999.9900 .3501 .3899 .5450 .6503 .6145 .6295 .5742 8 ALA 8 .9879 999.9900 999.9900 999.9900 .4999 .7439 .6509 .6388 .6439 .6944 9 ALA 9 .9879 999.9900 999.9900 999.9900 .6227 .8053 .6733 .6611 .6662 .7362 10 ARG 10 .9556 -2.8571 999.9900 .1593 .6728 -.1820 .3352 -.1377 .0593 -.1018 11 LEU 11 .2902 .5280 999.9900 999.9900 .3648 .3943 .6249 .5913 .6053 .4799 12 ARG 12 .9556 .7735 999.9900 .1593 .4407 .4977 .3892 .4698 .4362 .4782 13 PHE 13 1.0502 -.1636 999.9900 999.9900 .4513 .4460 .6091 .2420 .3949 .4378 14 ARG 14 -.0126 1.1699 999.9900 .1593 .5640 .4080 .4230 .3010 .3518 .3949 15 CYS 15 .2727 999.9900 .1296 999.9900 -.3261 .0254 .6581 .6289 .6411 .2727 16 PHE 16 -.8057 -.0015 999.9900 999.9900 1.0159 .0696 -.0262 .6315 .3575 .1628 17 HIS 17 -.5497 -.3484 999.9900 999.9900 -.6493 -.5158 -.7885 .3604 -.1183 -.3951 18 TYR 18 -.5013 -.5584 999.9900 999.9900 .4594 -.2001 -1.2678 -.0764 -.5728 -.3889 19 GLU 19 -.7635 -.4402 999.9900 -1.0323 .2491 -.4967 -.4245 .3367 .0195 -.3458 20 GLU 20 .0468 1.0525 999.9900 -1.0323 .5112 .1445 .5935 .6075 .6017 .2965 21 ALA 21 .9879 999.9900 999.9900 999.9900 .1657 .5768 .6030 .5590 .5773 .5789 22 THR 22 -.2485 999.9900 -.8810 999.9900 .2932 -.2788 .3382 .5422 .4572 .0088 23 GLY 23 -.4135 999.9900 999.9900 999.9900 -.4997 -.4566 .1225 .2791 .2095 -.1279 24 PRO 24 -.4052 999.9900 999.9900 999.9900 -1.0436 -.7244 .1594 .5524 .3886 -.1843 25 GLN 25 1.0381 -1.3011 999.9900 2.7911 .6133 .7853 -.6894 .4578 -.0202 .4850 26 GLU 26 .8171 .8034 999.9900 -1.0323 .4526 .2602 .5520 .5840 .5707 .3628 27 ALA 27 .9879 999.9900 999.9900 999.9900 -.6283 .1798 .6701 .6944 .6843 .4310 28 LEU 28 1.1349 .8847 999.9900 999.9900 .6708 .8968 -.0733 .4442 .2286 .6123 29 ALA 29 .5799 999.9900 999.9900 999.9900 .7458 .6629 .6901 .6712 .6791 .6718 30 GLN 30 -.1723 -.7562 999.9900 1.3059 .5636 .2352 .6558 .5395 .5880 .3560 31 LEU 31 .8786 .9108 999.9900 999.9900 .3346 .7080 -.3632 .5981 .1976 .4718 32 ARG 32 1.0056 .5490 999.9900 .1593 .6379 .5022 .1971 .4711 .3570 .4542 33 GLU 33 .8171 -.2533 999.9900 -1.0323 .2865 -.0455 -.4469 .0256 -.1713 -.1006 34 LEU 34 .8786 .8730 999.9900 999.9900 -.0758 .5586 .4004 .5962 .5146 .5345 35 CYS 35 1.4696 999.9900 .1296 999.9900 .5249 .7080 .4585 .4081 .4291 .5982 36 ARG 36 .6655 -2.3766 999.9900 .6901 -.2445 -.1151 -.1440 -.4652 -.3313 -.1692 37 GLN 37 .3572 .2375 999.9900 1.3059 -.4029 .3744 .3009 .0236 .1392 .3037 38 TRP 38 -2.2560 -1.1671 999.9900 999.9900 .9378 -.8284 .4090 -.7859 -.2880 -.5724 39 LEU 39 .0401 -2.7185 999.9900 999.9900 .5787 -.6999 .2696 -.5247 -.1937 -.4710 40 ARG 40 -2.5097 1.0644 999.9900 1.0856 .7064 .2864 .4085 .1700 .2694 .2872 41 PRO 41 .0709 999.9900 999.9900 999.9900 .6188 .3449 .2771 .5587 .4413 .3814 42 GLU 42 .1025 .7809 999.9900 -1.0323 .0814 -.0169 .5178 .6882 .6172 .1897 43 VAL 43 -1.7692 999.9900 -.2457 999.9900 .4426 -.5241 .5557 .5597 .5580 -.0914 44 ARG 44 -.3884 1.1781 999.9900 .1593 -.3418 .1533 -.6582 .5391 .0402 .0925 45 SER 45 -1.2908 999.9900 -.0289 999.9900 -.5437 -.6211 .0903 .5611 .3649 -.2424 46 LYS 46 .2805 -2.9005 999.9900 .1731 .8827 -.2782 .3544 .3232 .3362 -.1020 47 GLU 47 .7157 -.7281 999.9900 -1.0323 -.1867 -.3079 -.3256 -.2817 -.3000 -.3064 48 GLN 48 .9732 .5350 999.9900 1.3059 .6605 .8686 .6346 .5760 .6004 .7809 49 MET 49 1.1168 .3567 999.9900 .9587 -.3043 .5320 .1592 .5341 .3779 .4702 50 LEU 50 .2355 .9108 999.9900 999.9900 -.3982 .2494 .6086 .1883 .3634 .3090 51 GLU 51 .1185 -.1645 999.9900 .3501 .2101 .1285 .6728 .4862 .5640 .2789 52 LEU 52 .8786 .8730 999.9900 999.9900 .3648 .7055 .3561 .6701 .5393 .6285 53 LEU 53 .6509 -1.7554 999.9900 999.9900 -1.0998 -.7348 -.3348 -.7011 -.5485 -.6480 54 VAL 54 1.0462 999.9900 .3968 999.9900 .4426 .6285 .3259 .5139 .4356 .5451 55 LEU 55 .8182 -2.3037 999.9900 999.9900 .6926 -.2643 .0629 .1648 .1223 -.1130 56 GLU 56 .7157 .6687 999.9900 -1.0323 .2101 .1405 .5513 .4751 .5068 .2648 57 GLN 57 .9013 -2.6982 999.9900 1.3059 .3348 -.0391 .5146 .4836 .4965 .1403 58 PHE 58 1.2168 .8308 999.9900 999.9900 .8956 .9811 .6649 .6464 .6541 .8509 59 LEU 59 1.1349 .5236 999.9900 999.9900 .7753 .8112 .5037 .2880 .3779 .6451 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .3466 -.0335 .6731 .6530 .6619 .3148 61 ALA 61 .3573 999.9900 999.9900 999.9900 -.1129 .1222 .6532 .6542 .6538 .3880 62 LEU 62 -1.0000 .9108 999.9900 999.9900 -.1229 -.0707 .5916 .1341 .3247 .1027 63 PRO 63 .1879 999.9900 999.9900 999.9900 -1.0436 -.4279 .2118 .1804 .1935 -.1159 64 PRO 64 .0003 999.9900 999.9900 999.9900 .1187 .0595 .5043 .2671 .3660 .2226 65 GLU 65 -.2326 -1.4588 999.9900 -1.0323 .4526 -.5678 .4024 -.0179 .1572 -.3144 66 ILE 66 1.0115 .6227 999.9900 999.9900 .7045 .7796 .6168 .6226 .6202 .7156 67 GLN 67 1.0381 .6816 999.9900 1.3059 1.1269 1.0381 .3244 .6367 .5066 .8523 68 ALA 68 .9879 999.9900 999.9900 999.9900 .9520 .9699 .6903 .6515 .6677 .8204 69 ARG 69 .3778 .1080 999.9900 .6901 .7064 .5145 .6206 .6208 .6207 .5448 70 VAL 70 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .3979 .4881 .4505 .2308 71 GLN 71 .1632 -1.1512 999.9900 1.3059 .0346 .0881 -.1610 .2849 .0991 .0794 72 GLY 72 .0328 999.9900 999.9900 999.9900 -.3938 -.1805 .3529 .6062 .4937 .1495 73 GLN 73 -3.1236 -.5355 999.9900 1.3059 -1.6155 -.9922 .4945 .3915 .4344 -.5138 74 ARG 74 -2.9267 -2.3766 999.9900 .5548 .7064 -.6975 .3605 -.9851 -.4245 -.5874 75 PRO 75 .4216 999.9900 999.9900 999.9900 .8563 .6389 .4925 .5751 .5407 .5864 76 GLY 76 .6263 999.9900 999.9900 999.9900 -.5578 .0343 .1959 .6663 .4572 .2327 77 SER 77 -.2734 999.9900 .3727 999.9900 -.4586 -.1198 .3471 .3705 .3608 .0717 78 PRO 78 -.3299 999.9900 999.9900 999.9900 .0500 -.1400 .6785 .3467 .4850 .1863 79 GLU 79 .6833 -.7281 999.9900 -1.0323 .1264 -.2377 .1655 .4457 .3290 -.0566 80 GLU 80 .8733 -.3559 999.9900 -1.0323 -.3984 -.2283 -.0713 .3863 .1957 -.0997 81 ALA 81 .6648 999.9900 999.9900 999.9900 .6390 .6519 .6273 .6653 .6495 .6491 82 ALA 82 .8241 999.9900 999.9900 999.9900 .8152 .8197 -.5246 .5898 .1255 .4261 83 ALA 83 .7636 999.9900 999.9900 999.9900 .7881 .7758 .0874 .3724 .2537 .5029 84 LEU 84 .6509 -2.9612 999.9900 999.9900 .9565 -.4513 .0634 -2.5157 -1.4411 -.7612 85 VAL 85 .5660 999.9900 -.5532 999.9900 -.3121 -.0998 .6243 .1092 .3238 .0868 86 ASP 86 1.1285 -.7325 999.9900 999.9900 -1.3622 -.3221 .3926 .4607 .4324 -.0226 87 GLY 87 -.9159 999.9900 999.9900 999.9900 .2296 -.3432 -.4029 .6329 .1725 -.1141 88 LEU 88 .4996 .8710 999.9900 999.9900 .7348 .7018 .1922 .3561 .2878 .5307 89 ARG 89 -.4248 -.1448 999.9900 1.0856 -.3418 .2519 -.1137 .6325 .3216 .2541 90 ARG 90 -2.5097 .8164 999.9900 .5548 -1.3564 -.3880 .3923 -.5092 -.1336 -.2939 91 GLU 91 -3.2255 .8332 999.9900 -1.0323 -.1261 -.8877 .6276 -.5330 -.0494 -.5760 92 PRO 92 -1.6571 999.9900 999.9900 999.9900 -.1935 -.9253 .6394 .6483 .6446 -.1407 93 GLY 93 -2.9723 999.9900 999.9900 999.9900 .5943 -1.1890 .4683 .6028 .5430 -.3267 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6494 .4452 .5619 .5473 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .3466 .3466 -.1103 .6299 .3127 .2888 96 SER 302 -.5771 999.9900 .6576 999.9900 .6235 .2347 .0895 .5813 .3764 .2750 97 ASP 303 -1.0188 -.9533 999.9900 999.9900 -2.2874 -1.4198 .3531 .3444 .3480 -.7124 98 PRO 304 .4523 999.9900 999.9900 999.9900 -.5244 -.0361 .5091 .4411 .4694 .2195 99 GLY 305 -.5999 999.9900 999.9900 999.9900 -.3452 -.4725 .5300 .5248 .5271 .0274 100 PRO 306 .4698 999.9900 999.9900 999.9900 .5793 .5246 .5788 .5324 .5517 .5401 101 GLU 307 .5470 .5971 999.9900 -1.0323 .4218 .1334 .4458 .6199 .5473 .2665 102 ALA 308 .9879 999.9900 999.9900 999.9900 .0520 .5199 .6213 .6675 .6482 .5821 103 ALA 309 .7636 999.9900 999.9900 999.9900 .3365 .5501 .3578 .6243 .5133 .5206 104 ARG 310 .9556 .9163 999.9900 .1593 .6017 .5585 .5009 .2286 .3421 .5031 105 LEU 311 .2902 .8730 999.9900 999.9900 .9730 .7121 .5222 .6431 .5927 .6603 106 ARG 312 1.1353 1.0644 999.9900 .9503 .6728 .9546 .2958 .5904 .4676 .8085 107 PHE 313 1.1962 .3192 999.9900 999.9900 .6382 .7179 .5126 -.1188 .1442 .5095 108 ARG 314 -.0126 .9821 999.9900 .6901 .7064 .6112 .5280 .2630 .3734 .5496 109 CYS 315 .1005 999.9900 1.2918 999.9900 .5249 .6391 .6487 .5961 .6180 .6324 110 PHE 316 -1.0508 -.1636 999.9900 999.9900 .6382 -.1921 -.4933 .6130 .1520 -.0913 111 HIS 317 -.3517 .1724 999.9900 999.9900 .1122 -.0223 -.8954 .3723 -.1559 -.1180 112 TYR 318 -.5013 -.3119 999.9900 999.9900 .1301 -.2277 -1.1586 .1678 -.3849 -.3348 113 GLU 319 -1.1136 -.7281 999.9900 -1.0323 .0339 -.7100 -.5492 .2445 -.0862 -.5241 114 GLU 320 .0468 1.0525 999.9900 -1.0323 .5112 .1445 .4329 .4828 .4620 .2490 115 ALA 321 .8001 999.9900 999.9900 999.9900 -.0775 .3613 .6074 .6462 .6300 .4940 116 THR 322 -.2485 999.9900 -.8810 999.9900 .3342 -.2651 .1162 .4325 .3007 -.0493 117 GLY 323 -1.5840 999.9900 999.9900 999.9900 -.2133 -.8987 .6718 .1140 .3619 -.2529 118 PRO 324 .4698 999.9900 999.9900 999.9900 .7618 .6158 .4020 .5650 .4971 .5497 119 GLN 325 1.2265 -1.7668 999.9900 1.3059 .0346 .2000 .1668 .3192 .2557 .2144 120 GLU 326 .6833 .8034 999.9900 -1.0323 -.4821 -.0069 .3955 .4189 .4092 .1311 121 ALA 327 .8001 999.9900 999.9900 999.9900 -.4068 .1966 .6794 .6770 .6780 .4374 122 LEU 328 1.1349 .8847 999.9900 999.9900 .9730 .9975 -.4070 .4751 .1075 .6121 123 ALA 329 .0579 999.9900 999.9900 999.9900 .4419 .2499 .6801 .6859 .6835 .4664 124 GLN 330 -1.1984 .2375 999.9900 1.3059 .7486 .2734 .5222 .4670 .4900 .3471 125 LEU 331 .8475 .9108 999.9900 999.9900 -.3982 .4534 -.2169 .5283 .2178 .3343 126 ARG 332 1.1353 .7158 999.9900 1.0856 .7064 .9457 .4338 .6191 .5419 .8259 127 GLU 333 .8171 -.3249 999.9900 -1.0323 .7127 .0431 -.4922 -.2325 -.3407 -.0920 128 LEU 334 .8786 .8730 999.9900 999.9900 .4504 .7340 .4355 .6560 .5641 .6587 129 CYS 335 1.4696 999.9900 .1296 999.9900 .5249 .7080 .5466 .5567 .5525 .6455 130 ARG 336 .6655 -2.0954 999.9900 .1593 .1299 -.1963 .0455 .1537 .1086 -.1117 131 GLN 337 .4537 1.1250 999.9900 2.7911 .6133 1.2458 -.0200 .3423 .1913 .8842 132 TRP 338 -2.7772 -1.6686 999.9900 999.9900 .4467 -1.3330 .2134 -.1215 .0181 -.7814 133 LEU 339 .9913 .5521 999.9900 999.9900 -.1229 .4735 .5706 .6520 .6181 .5286 134 ARG 340 -1.7561 1.0858 999.9900 .7862 .1299 .2064 .6488 .0083 .2752 .2413 135 PRO 341 .3509 999.9900 999.9900 999.9900 .4496 .4003 .6196 .4524 .5221 .4681 136 GLU 342 .8733 .8332 999.9900 1.1588 .2101 .7688 .5740 .5344 .5509 .6973 137 VAL 343 -1.8566 999.9900 -1.0788 999.9900 .8778 -.6859 .5776 .4041 .4764 -.2152 138 ARG 344 -.4945 1.0858 999.9900 .1593 .1299 .2080 -1.2017 -.4991 -.7919 -.0944 139 SER 345 .1787 999.9900 -.0289 999.9900 -.2435 -.0312 -.8816 .3479 -.1644 -.1255 140 LYS 346 .7090 -2.9005 999.9900 .3240 .5850 -.1917 .1738 .5508 .3937 -.0334 141 GLU 347 .7157 -.7281 999.9900 -1.0323 -.6780 -.4307 -.1412 -.4354 -.3128 -.3832 142 GLN 348 .4537 .4956 999.9900 1.3059 .3348 .6475 .3815 .5576 .4843 .5882 143 MET 349 1.1168 .8373 999.9900 .9587 .0476 .7401 .5305 .6032 .5729 .6824 144 LEU 350 .8182 -1.8410 999.9900 999.9900 -.1229 -.3819 .2397 .5303 .4092 -.0751 145 GLU 351 .7157 -.1645 999.9900 -1.0323 .6424 .0403 .6284 .5375 .5754 .2212 146 LEU 352 .9913 .8730 999.9900 999.9900 -.3982 .4887 .3869 .6186 .5221 .4943 147 LEU 353 .6509 -.6141 999.9900 999.9900 -.8739 -.2791 .3025 -.0495 .0972 -.1168 148 VAL 354 .9834 999.9900 .8055 999.9900 .5258 .7716 .5732 .5644 .5681 .6905 149 LEU 355 .8182 -2.0611 999.9900 999.9900 .6258 -.2057 .3722 .3791 .3763 .0269 150 GLU 356 .7157 .6194 999.9900 -1.0323 .2491 .1380 .5423 .5841 .5666 .2797 151 GLN 357 .9013 -2.2325 999.9900 1.3059 -.4029 -.1071 .5681 .5840 .5774 .1206 152 PHE 358 1.0502 .5389 999.9900 999.9900 1.0159 .8683 .4022 .6495 .5465 .7313 153 LEU 359 .8475 -.0669 999.9900 999.9900 .4227 .4011 .5379 .2070 .3449 .3896 154 GLY 360 -.4135 999.9900 999.9900 999.9900 -.0291 -.2213 .6932 .6679 .6791 .2296 155 ALA 361 .2107 999.9900 999.9900 999.9900 -.4068 -.0980 .6571 .6349 .6441 .2740 156 LEU 362 -.3571 .9108 999.9900 999.9900 .2381 .2639 .6479 .2688 .4268 .3417 157 PRO 363 .1879 999.9900 999.9900 999.9900 -.4005 -.1063 .2011 .2095 .2060 .0495 158 PRO 364 -1.5682 999.9900 999.9900 999.9900 .1827 -.6928 .5054 .2779 .3727 -.1505 159 GLU 365 .8733 -1.1891 999.9900 .3501 .7127 .1867 .4428 -.0667 .1456 .1872 160 ILE 366 .6852 .6227 999.9900 999.9900 .6034 .6371 .4552 .5839 .5303 .5901 161 GLN 367 .9732 .6816 999.9900 1.3059 .6133 .8935 .2686 .6304 .4797 .7455 162 ALA 368 .8001 999.9900 999.9900 999.9900 .6550 .7276 .6548 .7036 .6833 .7034 163 ARG 369 -.0269 .3427 999.9900 .5548 -.0761 .2698 .4383 .5291 .4913 .3310 164 VAL 370 .7683 999.9900 -1.0788 999.9900 .4426 .0441 .1521 .6067 .4173 .1782 165 GLN 371 .7451 -2.2325 999.9900 1.3059 .6133 .1079 .6488 .3234 .4590 .2340 166 GLY 372 1.2494 999.9900 999.9900 999.9900 .8897 1.0695 .5459 .6730 .6165 .8395 167 GLN 373 -.9796 -.9749 999.9900 1.3059 -.4029 -.2629 .4075 .3638 .3820 -.0467 168 ARG 374 -2.9267 -1.0788 999.9900 .5548 -1.3564 -.8505 .4056 -.0446 .1430 -.5559 169 PRO 375 -1.6571 999.9900 999.9900 999.9900 .7944 -.4313 .1125 .5185 .3493 -.0579 170 GLY 376 .9055 999.9900 999.9900 999.9900 -.5578 .1739 .0958 .6742 .4172 .2795 171 SER 377 .2241 999.9900 -.0289 999.9900 -.4586 -.0878 .3419 .4709 .4171 .1099 172 PRO 378 -.3299 999.9900 999.9900 999.9900 -.1935 -.2617 .3500 .4174 .3893 .0610 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.4821 .0553 .6235 .2847 .4259 .1883 174 GLU 380 .8733 -.4584 999.9900 -1.0323 -.4821 -.2749 -.2833 .2147 .0072 -.1947 175 ALA 381 .8241 999.9900 999.9900 999.9900 .8152 .8197 .5812 .6405 .6158 .7153 176 ALA 382 .8241 999.9900 999.9900 999.9900 .9520 .8881 -.0621 .6534 .3553 .5919 177 ALA 383 .5364 999.9900 999.9900 999.9900 .7458 .6411 .4229 .6101 .5321 .5788 178 LEU 384 .6296 -.1374 999.9900 999.9900 -.9806 -.1628 .5327 -.5415 -.0939 -.0994 179 VAL 385 .3707 999.9900 .4980 999.9900 .1378 .3355 .2492 .2107 .2267 .2933 180 ASP 386 .8349 -.2599 999.9900 999.9900 -.3974 .0592 .4172 .6379 .5460 .2465 181 GLY 387 .0328 999.9900 999.9900 999.9900 .4101 .2215 .5922 .6536 .6263 .4222 182 LEU 388 -.7230 .8710 999.9900 999.9900 -.9806 -.2775 .5454 .5445 .5449 .0515 183 ARG 389 -.0126 -.4122 999.9900 .1593 .4407 .0669 .5436 .3935 .4560 .1817 184 ARG 390 -.8806 .7238 999.9900 .1593 -.1565 .0011 .3860 .2131 .2852 .0863 185 GLU 391 -1.2516 .7809 999.9900 .3501 -.4821 -.1507 .6528 .2749 .4323 .0542 186 PRO 392 -2.5362 999.9900 999.9900 999.9900 .6188 -.9587 .2431 .6134 .4591 -.2652 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .4768 .6573 .5771 -.3811 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .0862 .4469 .2665 .2665 Means: .1118 -.1379 -.1094 .3196 .1910 .1143 .2995 .3733 .3424 .2014 2.00 refined_12