1 GLY 1 999.9900 999.9900 999.9900 999.9900 .2782 .2782 .0087 .6511 .3299 .3127 2 SER 2 -.0526 999.9900 -.7153 999.9900 .2374 -.1768 .2343 .5270 .4050 .0462 3 ASP 3 -.1445 -.3623 999.9900 999.9900 .5431 .0121 .5590 .5700 .5654 .2331 4 PRO 4 .6171 999.9900 999.9900 999.9900 .7944 .7058 .3578 .5725 .4830 .5855 5 GLY 5 -.9159 999.9900 999.9900 999.9900 .5429 -.1865 -.0252 .4681 .2488 .0175 6 PRO 6 .6171 999.9900 999.9900 999.9900 .7618 .6895 .6415 .4656 .5389 .6215 7 GLU 7 .8733 -.4402 999.9900 -1.0323 .2101 -.0973 .6171 .5956 .6046 .1373 8 ALA 8 .6496 999.9900 999.9900 999.9900 .6227 .6362 .5511 .6994 .6376 .6307 9 ALA 9 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .6102 .6913 .6575 .4880 10 ARG 10 .8469 .8024 999.9900 .1593 .4837 .4903 .6517 .6160 .6308 .5313 11 LEU 11 1.1349 .3419 999.9900 999.9900 -.8739 .2010 -.4743 .4859 .0858 .1229 12 ARG 12 .9556 1.0644 999.9900 1.0856 .7064 .9795 .3637 .2836 .3170 .7921 13 PHE 13 1.1962 .1483 999.9900 999.9900 .6382 .6609 .5087 -.6781 -.1836 .3627 14 ARG 14 -.3884 .1080 999.9900 1.0005 -.0022 .3437 .5014 .5953 .5562 .4022 15 CYS 15 .2410 999.9900 1.2918 999.9900 .4013 .6447 .5878 .5890 .5885 .6222 16 PHE 16 -.8715 -.0015 999.9900 999.9900 .3416 -.1771 .0678 .6369 .3998 .0347 17 HIS 17 -.5497 -3.1083 999.9900 999.9900 -.3908 -1.3496 -1.9259 -.1629 -.8975 -1.2275 18 TYR 18 -.1387 -.2298 999.9900 999.9900 .9193 .1836 -2.5660 -.6353 -1.4398 -.5301 19 GLU 19 -.6163 -.6022 999.9900 -1.0323 -.1867 -.6094 -1.4735 .3828 -.3907 -.5880 20 GLU 20 .4426 1.0525 999.9900 -1.0323 1.0761 .3847 .5578 .3323 .4262 .4048 21 ALA 21 .5364 999.9900 999.9900 999.9900 -.0434 .2465 .5426 .3341 .4210 .3424 22 THR 22 -.1023 999.9900 -.8810 999.9900 .2932 -.2300 .0164 .2863 .1738 -.0775 23 GLY 23 -1.4779 999.9900 999.9900 999.9900 .3016 -.5881 .6560 .2439 .4271 -.0691 24 PRO 24 .0709 999.9900 999.9900 999.9900 .9143 .4926 .4580 .5341 .5024 .4943 25 GLN 25 1.2265 -1.3908 999.9900 1.3059 .6605 .4505 .5263 .1979 .3347 .4210 26 GLU 26 .8171 .8034 999.9900 -1.0323 .0339 .1555 .5552 .6343 .6013 .3019 27 ALA 27 .9879 999.9900 999.9900 999.9900 .6708 .8293 .5903 .6665 .6347 .7289 28 LEU 28 1.1349 .8730 999.9900 999.9900 .8331 .9470 .2982 .5457 .4426 .7370 29 ALA 29 .9879 999.9900 999.9900 999.9900 .3801 .6840 .4261 .6365 .5489 .6077 30 GLN 30 .6461 1.1815 999.9900 1.3059 .1188 .8131 -.1204 .4179 .1936 .5916 31 LEU 31 .9913 .6236 999.9900 999.9900 .3942 .6697 .2805 .6243 .4810 .5828 32 ARG 32 1.1353 .2312 999.9900 .6901 -.0761 .5341 -.8784 .5820 -.0265 .3392 33 GLU 33 .7157 .6046 999.9900 -1.0323 .0814 .0923 .5389 .5508 .5459 .2432 34 LEU 34 1.1349 .8710 999.9900 999.9900 .6486 .8848 .6873 .6236 .6502 .7931 35 CYS 35 .8160 999.9900 .1296 999.9900 -1.7809 -.2784 .5514 .4903 .5157 .0413 36 ARG 36 .8469 -2.0954 999.9900 .1593 -.8847 -.3629 -.0530 -.0439 -.0477 -.2731 37 GLN 37 .3572 1.2376 999.9900 1.3059 .5113 .8530 .2587 .5875 .4505 .7097 38 TRP 38 -2.7772 -1.6686 999.9900 999.9900 .2792 -1.3889 .1665 -.0257 .0544 -.8052 39 LEU 39 .9913 -.0645 999.9900 999.9900 .8331 .5866 .6699 .2531 .4268 .5366 40 ARG 40 -2.5097 1.0858 999.9900 1.2208 .2455 .2527 .6356 .0589 .2992 .2797 41 PRO 41 .0709 999.9900 999.9900 999.9900 -.1935 -.0613 .5243 .2219 .3479 .1559 42 GLU 42 .8733 -.3402 999.9900 -1.0323 .7127 .0534 .5261 .4629 .4892 .2004 43 VAL 43 -2.3613 999.9900 -.0276 999.9900 .6503 -.5795 .5581 .4656 .5041 -.1430 44 ARG 44 -.5614 1.1699 999.9900 1.1817 .4837 .6911 -.2447 .1533 -.0125 .4806 45 SER 45 -.8144 999.9900 .3727 999.9900 -.7427 -.3948 -.2110 .2312 .0470 -.2328 46 LYS 46 1.2214 1.1634 999.9900 .5368 -.8987 .5120 .5267 .2678 .3756 .4792 47 GLU 47 .8733 -1.7714 999.9900 -1.0323 .3223 -.4020 .2486 .1686 .2019 -.1985 48 GLN 48 .9732 .5350 999.9900 1.3059 .6133 .8568 .6600 .6697 .6657 .7928 49 MET 49 1.1168 .8879 999.9900 .9587 -.3043 .6648 .3316 .6152 .4970 .6010 50 LEU 50 .2355 -1.8410 999.9900 999.9900 .3346 -.4236 -.0725 .4837 .2519 -.1719 51 GLU 51 .7157 .5701 999.9900 -1.0323 .2491 .1257 .5594 .6213 .5955 .2806 52 LEU 52 .8786 .8730 999.9900 999.9900 -.2242 .5091 .4786 .6535 .5806 .5319 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -.7775 -.4695 .0897 -.3419 -.1621 -.3321 54 VAL 54 1.0462 999.9900 .1416 999.9900 .6959 .6279 .4961 .1344 .2851 .5029 55 LEU 55 .8182 -2.3037 999.9900 999.9900 -1.3910 -.9588 .1514 .2704 .2208 -.4909 56 GLU 56 .8604 -.7009 999.9900 -1.0323 .6424 -.0576 .3492 .6290 .5124 .1246 57 GLN 57 .6461 -2.6982 999.9900 1.3059 -.7286 -.3687 .5736 .5647 .5684 -.0561 58 PHE 58 1.0502 .8308 999.9900 999.9900 .8956 .9255 .5013 .5996 .5587 .7755 59 LEU 59 .8475 .5402 999.9900 999.9900 .7348 .7075 .3829 .3890 .3864 .5789 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .8016 .1940 .4582 .6808 .5819 .3818 61 ALA 61 .2107 999.9900 999.9900 999.9900 -.7624 -.2759 .6136 .6206 .6177 .1706 62 LEU 62 -.5813 .8710 999.9900 999.9900 -.2790 .0036 .4951 .0537 .2376 .1119 63 PRO 63 .4197 999.9900 999.9900 999.9900 .5793 .4995 .5327 .1401 .3037 .4180 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .7281 -.4201 .5377 .5912 .5689 .0722 65 GLU 65 .8733 -.1645 999.9900 -1.0323 .4526 .0323 .4978 .4098 .4464 .1728 66 ILE 66 .6852 .6227 999.9900 999.9900 .2216 .5098 .6399 .6161 .6260 .5571 67 GLN 67 1.2265 .6816 999.9900 1.3059 .7898 1.0009 .5702 .6463 .6146 .8700 68 ALA 68 .8001 999.9900 999.9900 999.9900 .4999 .6500 .5745 .6179 .5998 .6231 69 ARG 69 .8354 .1897 999.9900 1.6084 .5640 .9612 .2269 .6132 .4523 .8066 70 VAL 70 -.2954 999.9900 .3968 999.9900 -2.9040 -.9342 .0387 .0970 .0727 -.5334 71 GLN 71 -.0629 -.2905 999.9900 1.3059 .7898 .4356 .0978 -.2357 -.0968 .2674 72 GLY 72 .5723 999.9900 999.9900 999.9900 .0951 .3337 .4567 .6759 .5785 .4500 73 GLN 73 -1.0957 .6315 999.9900 1.3059 -.1596 .1705 -.1278 .6359 .3177 .1983 74 ARG 74 -1.7561 .3427 999.9900 .1593 -1.7309 -.5651 -.6154 .4065 -.0193 -.4335 75 PRO 75 -2.9776 999.9900 999.9900 999.9900 .7618 -1.1079 -.1709 .2327 .0645 -.5385 76 GLY 76 .9055 999.9900 999.9900 999.9900 -1.1231 -.1088 -.8959 .5721 -.0804 -.1354 77 SER 77 -.3484 999.9900 -.7153 999.9900 -1.9795 -1.0144 -.2531 -.2038 -.2243 -.7000 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -.8366 -.5833 .1935 .5168 .3821 -.1141 79 GLU 79 .6833 1.1195 999.9900 -1.0323 -2.5035 -.4333 .5951 -.2186 .1204 -.2261 80 GLU 80 .8733 -.3249 999.9900 -1.0323 .2865 -.0494 .5052 .5652 .5402 .1455 81 ALA 81 .8241 999.9900 999.9900 999.9900 .6227 .7234 .5359 .5897 .5673 .6431 82 ALA 82 .6648 999.9900 999.9900 999.9900 .8018 .7333 .2488 .5930 .4496 .5771 83 ALA 83 .7636 999.9900 999.9900 999.9900 .9520 .8578 .5224 .4180 .4615 .6640 84 LEU 84 .8442 -3.3760 999.9900 999.9900 .9565 -.5251 .1900 -1.8377 -.9928 -.6446 85 VAL 85 .3707 999.9900 .1416 999.9900 -.3121 .0667 .4210 .0023 .1768 .1247 86 ASP 86 .8349 -.3515 999.9900 999.9900 -.4783 .0017 .5615 .6791 .6301 .2492 87 GLY 87 -1.3427 999.9900 999.9900 999.9900 .0351 -.6538 .5608 .6892 .6321 -.0144 88 LEU 88 -.2311 .9108 999.9900 999.9900 -.9806 -.1003 .2443 .4971 .3918 .0881 89 ARG 89 -1.9585 -.1448 999.9900 .9503 .0662 -.0273 -2.0494 .2791 -.6911 -.2724 90 ARG 90 -.2684 -.6832 999.9900 .5548 .6379 .1592 .2452 -.6226 -.2610 .0598 91 GLU 91 -3.2255 1.1195 999.9900 .3501 .0339 -.4305 .4685 .1384 .2759 -.1859 92 PRO 92 .4197 999.9900 999.9900 999.9900 .8563 .6380 .2446 .5877 .4447 .5271 93 GLY 93 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 -1.1945 .6746 -.1561 -.8045 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4208 .4286 .4241 .4247 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .2782 .2782 -.3312 .6125 .2080 .1865 96 SER 302 -.0420 999.9900 .6576 999.9900 .3425 .3194 -.4796 .5492 .1205 .2055 97 ASP 303 -.6712 -2.1980 999.9900 999.9900 -2.9873 -1.9521 .3855 .3430 .3607 -1.0256 98 PRO 304 -.1497 999.9900 999.9900 999.9900 .9143 .3823 .5858 .3210 .4313 .4178 99 GLY 305 -1.4779 999.9900 999.9900 999.9900 .0351 -.7214 .0960 .3991 .2644 -.2369 100 PRO 306 .3509 999.9900 999.9900 999.9900 .3519 .3514 .5061 .6046 .5635 .4534 101 GLU 307 .8733 -.1645 999.9900 -1.0323 .6424 .0797 .5876 .5324 .5554 .2398 102 ALA 308 .5364 999.9900 999.9900 999.9900 -.1129 .2118 .5828 .6500 .6220 .4141 103 ALA 309 .7636 999.9900 999.9900 999.9900 .6390 .7013 .6609 .6700 .6662 .6834 104 ARG 310 .8469 .8164 999.9900 .5548 .4837 .6513 .5986 .6004 .5997 .6365 105 LEU 311 .9913 .3419 999.9900 999.9900 .5787 .6373 -.1974 .4962 .2072 .4421 106 ARG 312 .8469 1.0644 999.9900 .5548 .7064 .7455 .5808 .6409 .6159 .7070 107 PHE 313 .7405 .5389 999.9900 999.9900 -.0962 .3944 .4990 .0968 .2644 .3558 108 ARG 314 -.4063 -.2494 999.9900 .7862 .4837 .2801 .3930 .5460 .4822 .3342 109 CYS 315 .2727 999.9900 .1296 999.9900 .2612 .2212 .5907 .5837 .5866 .3676 110 PHE 316 -.8057 .4845 999.9900 999.9900 -.0075 -.1095 .1736 .5846 .4134 .0859 111 HIS 317 -.1228 -3.1083 999.9900 999.9900 -1.0138 -1.4149 -.8591 .2887 -.1896 -.9631 112 TYR 318 -.1387 -1.1144 999.9900 999.9900 .7393 -.1713 -.9149 -.0912 -.4344 -.3040 113 GLU 319 -.7635 -.6022 999.9900 -1.0323 .0339 -.5910 -.6694 .3348 -.0836 -.4498 114 GLU 320 .0468 1.1195 999.9900 -1.0323 1.0761 .3025 .4459 .5704 .5185 .3711 115 ALA 321 .8001 999.9900 999.9900 999.9900 -.0775 .3613 .5884 .5284 .5534 .4598 116 THR 322 -.2485 999.9900 -.8810 999.9900 .5164 -.2044 .3841 .5367 .4731 .0615 117 GLY 323 -.2842 999.9900 999.9900 999.9900 -.3938 -.3390 .6555 -.0272 .2763 -.0124 118 PRO 324 -1.9929 999.9900 999.9900 999.9900 -1.0436 -1.5183 -.3232 .6258 .2304 -.6835 119 GLN 325 -.0365 -.2198 999.9900 1.3059 -.7286 .0803 -1.3728 .0527 -.5413 -.1665 120 GLU 326 .8171 -.3719 999.9900 -1.0323 .4218 -.0413 .3183 .2083 .2541 .0602 121 ALA 327 .8241 999.9900 999.9900 999.9900 -.4068 .2087 .6197 .6619 .6443 .4247 122 LEU 328 1.1349 .9108 999.9900 999.9900 .7949 .9469 .0722 .5571 .3550 .6940 123 ALA 329 .7636 999.9900 999.9900 999.9900 .6227 .6931 .6056 .5567 .5771 .6372 124 GLN 330 1.0381 .6727 999.9900 1.3059 .1188 .7839 .4383 .4308 .4339 .6674 125 LEU 331 .8182 .6236 999.9900 999.9900 .7348 .7256 .4310 .5671 .5104 .6349 126 ARG 332 1.0056 -.2995 999.9900 .1593 -1.7309 -.1412 -1.0003 .3545 -.2100 -.1931 127 GLU 333 .7157 .6046 999.9900 -1.0323 .5390 .2068 .3767 .1065 .2191 .2184 128 LEU 334 .9913 .8710 999.9900 999.9900 .6926 .8516 .5825 .6269 .6084 .7529 129 CYS 335 .8160 999.9900 .1296 999.9900 -1.7809 -.2784 .5275 .5474 .5391 .0479 130 ARG 336 .8469 -1.8960 999.9900 .5548 .1299 .0381 -.0685 .2131 .0958 .0479 131 GLN 337 .0311 1.2376 999.9900 1.3059 .6605 .8088 .3470 .5281 .4527 .6850 132 TRP 338 -2.7772 -1.6686 999.9900 999.9900 .5918 -1.2847 .0032 -.1778 -.1024 -.8057 133 LEU 339 .6296 -.0234 999.9900 999.9900 -.2790 .1091 .5570 .3131 .4147 .2395 134 ARG 340 -2.5097 1.1781 999.9900 1.0776 -.4506 .0746 .5736 .1644 .3349 .1587 135 PRO 341 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .4834 -.0619 .1653 .1803 136 GLU 342 .8171 -.3402 999.9900 .3501 .1264 .2383 .3158 .1360 .2109 .2342 137 VAL 343 -1.6906 999.9900 -.2457 999.9900 -.6089 -.8484 .3684 .4630 .4236 -.3428 138 ARG 344 -.5855 1.1781 999.9900 .7862 .0662 .4462 .0642 .4712 .3016 .3952 139 SER 345 -.3889 999.9900 .3727 999.9900 .8558 .2799 .4368 .2055 .3019 .2964 140 LYS 346 1.0429 .9683 999.9900 -.0397 -.6710 .2521 .4810 .3545 .4072 .2995 141 GLU 347 .8733 -.3402 999.9900 -1.0323 .2865 -.0532 .6695 .5531 .6016 .1683 142 GLN 348 .9013 .4660 999.9900 2.7911 .0346 1.0482 .6264 .6074 .6153 .9045 143 MET 349 1.1168 .8879 999.9900 .9587 .0476 .7528 .0823 .6110 .3907 .6174 144 LEU 350 .2355 -1.8410 999.9900 999.9900 .1683 -.4791 .0685 .3770 .2484 -.1983 145 GLU 351 .7157 .4305 999.9900 -1.0323 .2491 .0907 .6527 .6616 .6579 .2795 146 LEU 352 .8786 .8730 999.9900 999.9900 -.1229 .5429 .5113 .6862 .6133 .5652 147 LEU 353 .6509 -.6141 999.9900 999.9900 -.4635 -.1422 -.2920 -.3468 -.3240 -.2131 148 VAL 354 .9834 999.9900 -.2457 999.9900 .6734 .4704 .4596 .2116 .3149 .4164 149 LEU 355 .8182 -2.3037 999.9900 999.9900 -.2242 -.5699 .1265 .4040 .2884 -.2358 150 GLU 356 .8604 -.7564 999.9900 -1.0323 .4526 -.1189 .5109 .5748 .5482 .1017 151 GLN 357 .6461 -2.2325 999.9900 1.3059 -.2736 -.1385 .5108 .4536 .4774 .0684 152 PHE 358 1.0502 .5389 999.9900 999.9900 .5949 .7280 .5475 .6056 .5814 .6674 153 LEU 359 1.1349 .5402 999.9900 999.9900 .7949 .8233 .3874 .2887 .3298 .6292 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .2296 -.0034 .6565 .6664 .6620 .3290 155 ALA 361 -.2252 999.9900 999.9900 999.9900 -.6283 -.4268 .6316 .6148 .6218 .0982 156 LEU 362 -.7094 .9108 999.9900 999.9900 .0933 .0982 .5933 .2277 .3800 .2231 157 PRO 363 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .5119 .0722 .2554 .2339 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .8563 -.2125 .5293 .6012 .5712 .1764 159 GLU 365 .8733 -.3402 999.9900 -1.0323 .6424 .0358 .5554 .4393 .4876 .1896 160 ILE 366 .6852 .6227 999.9900 999.9900 -.1449 .3877 .5491 .5703 .5615 .4565 161 GLN 367 .8469 .6816 999.9900 1.3059 -.4029 .6079 .1621 .6000 .4175 .5323 162 ALA 368 .5799 999.9900 999.9900 999.9900 .6708 .6254 .5528 .6700 .6212 .6184 163 ARG 369 1.0056 .1897 999.9900 .1593 .6017 .4231 .6589 .6573 .6579 .4903 164 VAL 370 -.2954 999.9900 .4980 999.9900 -1.3636 -.3870 -.3078 .1440 -.0442 -.2650 165 GLN 371 .7451 -.5092 999.9900 1.3059 .2680 .4525 .5660 -.6363 -.1353 .2899 166 GLY 372 -.5009 999.9900 999.9900 999.9900 .3016 -.0996 .5456 .6802 .6204 .2566 167 GLN 373 -1.8275 -.5355 999.9900 1.3059 -1.6155 -.6682 .2261 .2426 .2357 -.3673 168 ARG 374 -2.5097 -.2494 999.9900 .7862 .4837 -.1406 .1439 .1257 .1333 -.0619 169 PRO 375 -.3299 999.9900 999.9900 999.9900 .1827 -.0736 .2625 .4759 .3870 .1478 170 GLY 376 .9055 999.9900 999.9900 999.9900 -.3452 .2802 -.8419 .6301 -.0241 .0872 171 SER 377 -.3251 999.9900 -.0289 999.9900 -1.1621 -.5053 -.2249 .0977 -.0367 -.3287 172 PRO 378 -.3299 999.9900 999.9900 999.9900 .0500 -.1400 .3262 .5013 .4284 .1369 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.7952 -.0230 .5878 .3552 .4521 .1419 174 GLU 380 .8733 -.2267 999.9900 -1.0323 .1264 -.0648 .4379 .5001 .4742 .1131 175 ALA 381 .9879 999.9900 999.9900 999.9900 .7881 .8880 .5372 .6464 .6009 .7399 176 ALA 382 .5799 999.9900 999.9900 999.9900 .7458 .6629 -.2045 .5927 .2606 .4285 177 ALA 383 .3637 999.9900 999.9900 999.9900 .6390 .5014 .1987 .3108 .2641 .3780 178 LEU 384 .8442 -3.3760 999.9900 999.9900 .9565 -.5251 .1901 -1.5096 -.8014 -.5789 179 VAL 385 .5660 999.9900 -.2457 999.9900 -1.0415 -.2404 .4591 .1115 .2563 -.0301 180 ASP 386 1.1359 -.5889 999.9900 999.9900 .0375 .1948 .5053 .6848 .6100 .3549 181 GLY 387 -1.0419 999.9900 999.9900 999.9900 .3016 -.3702 .6244 .6992 .6659 .1458 182 LEU 388 -.0169 .8730 999.9900 999.9900 -.9806 -.0415 .6252 .5602 .5873 .2122 183 ARG 389 -.6782 -.1448 999.9900 .1593 .2455 -.0518 -2.9556 .1145 -1.1647 -.4428 184 ARG 390 -.5383 -.4122 999.9900 1.0005 -.7163 .0669 .3394 .1302 .2174 .1149 185 GLU 391 -3.2255 .8793 999.9900 -1.0323 .7127 -.6665 .4340 -.0087 .1758 -.3734 186 PRO 392 -2.8278 999.9900 999.9900 999.9900 -.2912 -1.5595 -.3384 .2833 .0243 -.7935 187 GLY 393 -1.8567 999.9900 999.9900 999.9900 .3016 -.7776 -.3517 .6078 .1813 -.3248 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .2392 .3917 .3155 .3155 Means: .1140 -.0594 .0138 .3469 .0808 .1036 .2263 .3676 .3084 .1790 2.00 refined_2