1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7185 .7185 -.0270 .5726 .2728 .4214 2 SER 2 -.4771 999.9900 .3727 999.9900 .6705 .1887 -.0289 .6407 .3617 .2356 3 ASP 3 -.0565 -1.0260 999.9900 999.9900 -.1266 -.4030 .5856 .3412 .4430 -.0565 4 PRO 4 .0709 999.9900 999.9900 999.9900 -1.0436 -.4864 .5227 .6070 .5719 .0393 5 GLY 5 -1.5291 999.9900 999.9900 999.9900 -.5578 -1.0434 .5566 .0037 .2494 -.3816 6 PRO 6 .0709 999.9900 999.9900 999.9900 .7944 .4326 .5245 .2540 .3667 .4110 7 GLU 7 -.1289 -.5367 999.9900 .3501 -.4821 -.1994 .4482 -1.6209 -.7588 -.3284 8 ALA 8 .9879 999.9900 999.9900 999.9900 -.3587 .3146 .6479 .5853 .6114 .4656 9 ALA 9 .9879 999.9900 999.9900 999.9900 -.3587 .3146 .6268 .6379 .6333 .4735 10 ARG 10 .9556 .8024 999.9900 .1593 .7064 .5566 .6124 .5895 .5991 .5693 11 LEU 11 .9913 .3419 999.9900 999.9900 .7139 .6824 -.3775 .2748 .0030 .3889 12 ARG 12 1.1353 1.0644 999.9900 .1593 .1299 .5296 .3632 .4404 .4083 .4931 13 PHE 13 1.2168 -.1636 999.9900 999.9900 .3981 .4838 .4352 -.5000 -.1104 .2773 14 ARG 14 .2784 .9983 999.9900 .5548 .9385 .6650 .5784 .5419 .5571 .6350 15 CYS 15 .1005 999.9900 .1296 999.9900 -1.7809 -.5169 .4953 .6226 .5695 -.0866 16 PHE 16 -.5560 .7639 999.9900 999.9900 .2815 .1631 .1099 .5534 .3686 .2305 17 HIS 17 -.5497 -3.1083 999.9900 999.9900 -1.6368 -1.7649 -1.9703 -.2265 -.9531 -1.4983 18 TYR 18 -.5013 -.5584 999.9900 999.9900 -.0463 -.3687 -2.4799 -.3133 -1.2160 -.7798 19 GLU 19 -1.0962 -.4402 999.9900 .3501 .3568 -.2074 -.6580 .4471 -.0133 -.1734 20 GLU 20 .6116 -.1887 999.9900 -1.0323 1.0761 .1167 .4365 .3741 .4001 .2129 21 ALA 21 .8001 999.9900 999.9900 999.9900 .6550 .7276 .6092 .2490 .3991 .5783 22 THR 22 -.2485 999.9900 -.8810 999.9900 .5164 -.2044 .3193 .4261 .3816 .0265 23 GLY 23 -.4135 999.9900 999.9900 999.9900 -.5578 -.4856 .6576 .1963 .4014 -.0293 24 PRO 24 -1.9929 999.9900 999.9900 999.9900 -1.0436 -1.5183 -.4898 .4393 .0522 -.7718 25 GLN 25 .1338 .1167 999.9900 1.3059 -.5521 .2511 -1.1782 -.3350 -.6864 -.0848 26 GLU 26 .8171 .5296 999.9900 -1.0323 -1.0906 -.1941 .3086 .4620 .3981 -.0009 27 ALA 27 .8241 999.9900 999.9900 999.9900 .0212 .4227 .6636 .6489 .6551 .5395 28 LEU 28 .8786 .8730 999.9900 999.9900 .6926 .8147 .4474 .5195 .4894 .6822 29 ALA 29 .9879 999.9900 999.9900 999.9900 .2908 .6393 .4335 .6561 .5634 .5921 30 GLN 30 .9013 -2.6982 999.9900 1.3059 .2680 -.0557 .3537 .5278 .4553 .1098 31 LEU 31 .9913 .9108 999.9900 999.9900 .5293 .8105 .6141 .5152 .5564 .7121 32 ARG 32 .8469 -.0184 999.9900 .5548 -.5739 .2728 .2647 .3542 .3169 .2833 33 GLU 33 .8733 .4305 999.9900 -1.0323 .0814 .0882 .3698 .5983 .5031 .2202 34 LEU 34 .8442 .8710 999.9900 999.9900 .8331 .8494 .6393 .5820 .6059 .7539 35 CYS 35 1.0802 999.9900 .1296 999.9900 -.0920 .3726 .4783 .5485 .5193 .4289 36 ARG 36 .8469 -2.0954 999.9900 1.0005 .7064 .2918 .2119 .1334 .1661 .2577 37 GLN 37 .0311 .8911 999.9900 1.3059 .6605 .7222 .0698 .5177 .3311 .5794 38 TRP 38 -2.7772 -1.9067 999.9900 999.9900 .5918 -1.3640 .0391 -.2460 -.1272 -.8598 39 LEU 39 .8442 .5521 999.9900 999.9900 -.0758 .4402 .6541 .2691 .4295 .4487 40 ARG 40 -1.7561 .6306 999.9900 1.0005 .6379 .3027 .5937 .1559 .3383 .3233 41 PRO 41 .4523 999.9900 999.9900 999.9900 .1827 .3175 .1778 .5961 .4218 .3522 42 GLU 42 .8171 .7809 999.9900 -1.0323 -.3220 .0609 .3967 .5581 .4908 .1997 43 VAL 43 -1.4203 999.9900 -.0276 999.9900 .6503 -.2659 .5009 .5386 .5229 .0484 44 ARG 44 -.6106 1.1699 999.9900 .5548 .7064 .4751 .3768 .4010 .3909 .4504 45 SER 45 -.8144 999.9900 -.0289 999.9900 .9098 .0222 .3415 .3346 .3375 .1485 46 LYS 46 .6780 .5211 999.9900 .1731 .8827 .4856 .4510 -.0473 .1604 .4045 47 GLU 47 .8733 .7809 999.9900 1.1588 .4526 .8164 .5648 .3543 .4420 .6974 48 GLN 48 .9732 .5350 999.9900 1.3059 .5636 .8444 .5973 .6879 .6502 .7772 49 MET 49 .8064 .8879 999.9900 .9587 -1.2625 .3476 -.0556 .5777 .3138 .3188 50 LEU 50 .2355 .8847 999.9900 999.9900 .5787 .5663 .3811 .2941 .3304 .4748 51 GLU 51 .7157 .4305 999.9900 -1.0323 .2491 .0907 .4681 .6298 .5625 .2435 52 LEU 52 1.1349 .8710 999.9900 999.9900 -.1229 .6277 .4393 .6674 .5724 .5979 53 LEU 53 .6509 -.6141 999.9900 999.9900 -.9806 -.3146 .1290 -.2155 -.0719 -.2061 54 VAL 54 .9834 999.9900 .3968 999.9900 .1768 .5190 .4959 .2145 .3318 .4535 55 LEU 55 .8786 .5563 999.9900 999.9900 .3648 .5999 .6761 .4143 .5234 .5780 56 GLU 56 .7157 -.2267 999.9900 .3501 .7127 .3879 .3964 .6135 .5231 .4269 57 GLN 57 .6461 -2.6982 999.9900 1.3059 .0346 -.1779 .4745 .4448 .4572 .0346 58 PHE 58 1.2168 .8308 999.9900 999.9900 .9272 .9916 .6041 .6468 .6290 .8451 59 LEU 59 .8475 .5402 999.9900 999.9900 .5293 .6390 .4957 .4420 .4644 .5709 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .0036 -.2050 .6681 .6623 .6649 .2301 61 ALA 61 .5364 999.9900 999.9900 999.9900 -.7624 -.1130 .6438 .6242 .6324 .2605 62 LEU 62 -.5813 .9108 999.9900 999.9900 -.2790 .0169 .6672 .0232 .2915 .1482 63 PRO 63 .4197 999.9900 999.9900 999.9900 .0500 .2348 .3020 .0550 .1579 .2067 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .4949 -.5367 .4735 .5226 .5021 -.0193 65 GLU 65 .8733 -.3402 999.9900 -1.0323 .6424 .0358 .3931 .3557 .3713 .1487 66 ILE 66 .6852 .6227 999.9900 999.9900 .4089 .5723 .6237 .5913 .6048 .5864 67 GLN 67 1.0064 .6816 999.9900 1.3059 1.1269 1.0302 .6831 .5149 .5850 .8865 68 ALA 68 .8001 999.9900 999.9900 999.9900 .5367 .6684 .6753 .6500 .6606 .6655 69 ARG 69 1.1353 .1897 999.9900 .1593 -.2445 .2798 .6783 .6570 .6659 .3906 70 VAL 70 .7683 999.9900 -.0276 999.9900 -.8010 -.0201 .4025 .4925 .4550 .1670 71 GLN 71 .7451 .2375 999.9900 1.3059 .5636 .7130 .5145 .6256 .5793 .6654 72 GLY 72 -.0858 999.9900 999.9900 999.9900 -.1350 -.1104 .5880 .6134 .6021 .2451 73 GLN 73 -2.0516 .6727 999.9900 1.3059 .6605 .1469 .6465 .5702 .6020 .3007 74 ARG 74 -2.9267 .1897 999.9900 .7862 .6379 -.1054 .6735 .0765 .3253 .0319 75 PRO 75 -2.2783 999.9900 999.9900 999.9900 -.1935 -1.2359 .4082 .5320 .4804 -.3829 76 GLY 76 1.0023 999.9900 999.9900 999.9900 .8897 .9460 .5532 .6296 .5957 .7687 77 SER 77 .0280 999.9900 .6576 999.9900 -.7427 -.0191 .0807 .4096 .2725 .0866 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -.1935 -.2617 .1025 .3668 .2567 -.0135 79 GLU 79 .6833 1.1195 999.9900 -1.0323 -.9305 -.0400 .5892 .1923 .3577 .1036 80 GLU 80 .8733 -.3559 999.9900 -1.0323 -.3984 -.2283 .0225 .3695 .2249 -.0869 81 ALA 81 .8241 999.9900 999.9900 999.9900 .6227 .7234 .6413 .6196 .6286 .6769 82 ALA 82 .8241 999.9900 999.9900 999.9900 .6390 .7316 -.3200 .6424 .2414 .4464 83 ALA 83 .5364 999.9900 999.9900 999.9900 .6708 .6036 .5063 .6489 .5895 .5906 84 LEU 84 .6296 -.1374 999.9900 999.9900 -.8739 -.1273 .5708 -.5595 -.0886 -.0741 85 VAL 85 .3707 999.9900 -.2457 999.9900 -.4490 -.1080 .3183 .1769 .2358 .0342 86 ASP 86 .3915 -.7152 999.9900 999.9900 -.1266 -.1501 .4805 .6086 .5552 .1278 87 GLY 87 -.6152 999.9900 999.9900 999.9900 .2782 -.1685 .5083 .6698 .5980 .2103 88 LEU 88 .8475 .8710 999.9900 999.9900 .4774 .7320 .6125 .5815 .5944 .6780 89 ARG 89 -.0882 -.1448 999.9900 .1593 -.5739 -.0976 .1788 .5737 .4091 .0377 90 ARG 90 -.3136 .6306 999.9900 .5548 .0662 .2986 -.5132 .5942 .1328 .2248 91 GLU 91 -.5578 -.7009 999.9900 .3501 1.0761 .0419 .2267 .1633 .1897 .0929 92 PRO 92 -1.9661 999.9900 999.9900 999.9900 .4496 -.7582 .5362 .5356 .5359 -.1112 93 GLY 93 .3894 999.9900 999.9900 999.9900 .7185 .5540 .2850 .6851 .5073 .5195 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6049 .6368 .6186 .6209 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .8897 .8897 .1800 .6830 .4674 .5842 96 SER 302 -.0420 999.9900 -.0289 999.9900 -.0193 -.0301 .4396 .6016 .5341 .1902 97 ASP 303 -.3819 -1.4542 999.9900 999.9900 .6026 -.4112 .6577 .4289 .5242 -.0294 98 PRO 304 .4698 999.9900 999.9900 999.9900 -.6674 -.0988 .3438 .5696 .4755 .1790 99 GLY 305 -1.7079 999.9900 999.9900 999.9900 .7039 -.5020 .4149 .4155 .4153 -.0434 100 PRO 306 .3509 999.9900 999.9900 999.9900 .2989 .3249 .4900 .5590 .5302 .4247 101 GLU 307 .8733 -.3402 999.9900 -1.0323 1.0761 .1442 .4342 .6448 .5571 .2760 102 ALA 308 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .6050 .6138 .6101 .2817 103 ALA 309 .7636 999.9900 999.9900 999.9900 .6390 .7013 .4844 .5998 .5517 .6217 104 ARG 310 .8469 .7238 999.9900 .1593 .7064 .5191 .3053 .4114 .3672 .4732 105 LEU 311 1.1349 .3419 999.9900 999.9900 -.2790 .3993 -.4681 .0945 -.1399 .1648 106 ARG 312 .6323 1.0644 999.9900 .1593 -.4506 .3129 .5154 .1359 .2940 .3166 107 PHE 313 1.2230 .6387 999.9900 999.9900 -1.5955 .0887 -.1463 .0371 -.0393 .0314 108 ARG 314 -.2684 -1.7413 999.9900 .1593 .4407 -.2501 .4962 .4683 .4799 -.0408 109 CYS 315 -.2798 999.9900 .8629 999.9900 .5249 .3693 .6474 .6397 .6429 .4790 110 PHE 316 -.6196 -.0015 999.9900 999.9900 .7193 .0327 .2234 .6304 .4608 .1904 111 HIS 317 -.3517 -3.1083 999.9900 999.9900 -1.6368 -1.6989 -1.0850 .3214 -.2646 -1.1721 112 TYR 318 -.5013 -.2298 999.9900 999.9900 .8158 .0282 -1.8408 .1773 -.6636 -.3158 113 GLU 319 -1.1136 -.7281 999.9900 -1.0323 .2101 -.6660 -.1151 .3032 .1289 -.4126 114 GLU 320 .6116 -.1887 999.9900 -1.0323 .7127 .0258 .4008 .2783 .3293 .1304 115 ALA 321 .8241 999.9900 999.9900 999.9900 -.1879 .3181 .6470 .5339 .5811 .4543 116 THR 322 .0584 999.9900 -.8810 999.9900 .0572 -.2551 .0333 .4592 .2818 -.0546 117 GLY 323 -1.5840 999.9900 999.9900 999.9900 -.5578 -1.0709 .5137 .1496 .3114 -.3696 118 PRO 324 .4698 999.9900 999.9900 999.9900 .4021 .4359 .4009 .5517 .4889 .4561 119 GLN 325 .9013 -1.3908 999.9900 1.3059 .6605 .3692 .2416 .2667 .2563 .3309 120 GLU 326 .8171 .8034 999.9900 1.1588 -.3984 .5952 .5792 .5550 .5651 .5858 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .6856 .6731 .6783 .5584 122 LEU 328 1.1349 .8847 999.9900 999.9900 .4504 .8233 .2252 .5933 .4399 .6577 123 ALA 329 .8001 999.9900 999.9900 999.9900 .0817 .4409 .6842 .6723 .6773 .5596 124 GLN 330 .6461 .2375 999.9900 2.7911 -.7286 .7365 .5359 .0843 .2724 .5944 125 LEU 331 .9913 .9108 999.9900 999.9900 -2.5031 -.2003 .4962 .1400 .2884 .0070 126 ARG 332 .8469 -.1311 999.9900 .6901 -.4506 .3291 .6758 -.2715 .1232 .2928 127 GLU 333 .1025 -.3249 999.9900 -1.0323 -.1867 -.3604 .2984 -.4659 -.1475 -.2682 128 LEU 334 .9913 .8730 999.9900 999.9900 .8331 .8991 .5989 .6302 .6171 .7853 129 CYS 335 1.0802 999.9900 .1296 999.9900 .5249 .5782 .5913 .6533 .6275 .5959 130 ARG 336 .6655 -2.3766 999.9900 1.0856 .1299 .1180 -.0561 -.2010 -.1406 .0476 131 GLN 337 .3572 -.3910 999.9900 1.3059 .0346 .3267 .0477 .0489 .0484 .2339 132 TRP 338 -2.2560 -1.9067 999.9900 999.9900 .4467 -1.2387 -.1187 -.2706 -.2073 -.8210 133 LEU 339 .8442 .5521 999.9900 999.9900 -.1229 .4245 .6682 .0253 .2932 .3934 134 ARG 340 -1.9585 1.0644 999.9900 .1593 .1299 -.0891 .3922 -.4962 -.1260 -.0785 135 PRO 341 .0709 999.9900 999.9900 999.9900 .5793 .3251 .4535 .5860 .5308 .4224 136 GLU 342 .8171 -.4584 999.9900 -1.0323 -.6780 -.3379 .5811 .6431 .6173 -.0212 137 VAL 343 -1.6906 999.9900 -.5532 999.9900 .7810 -.4876 .2556 .5225 .4113 -.1369 138 ARG 344 -.5614 1.1781 999.9900 1.7915 .3956 .9191 -.8309 .3846 -.1218 .5927 139 SER 345 -.2386 999.9900 -.0289 999.9900 .0290 -.0795 -.1422 .3274 .1317 -.0107 140 LYS 346 1.0429 1.1634 999.9900 .1731 .6340 .6373 .4581 .2243 .3217 .5527 141 GLU 347 .7157 .7809 999.9900 -1.0323 .3899 .2135 .5652 .1788 .3398 .2664 142 GLN 348 .9732 .1167 999.9900 1.3059 .6605 .7641 .4425 .6698 .5751 .6948 143 MET 349 .8064 .8879 999.9900 .9587 -1.9874 .1664 .0889 .5319 .3473 .2144 144 LEU 350 .8182 -1.8410 999.9900 999.9900 -.1229 -.3819 -.2560 .1157 -.0392 -.2572 145 GLU 351 .1185 .5701 999.9900 -1.0323 .1264 -.0543 .2785 .3849 .3406 .0744 146 LEU 352 1.1349 .8730 999.9900 999.9900 -.3368 .5570 .2537 .6096 .4613 .5069 147 LEU 353 -.0169 -.6141 999.9900 999.9900 -.6084 -.4131 -.0713 -.2392 -.1693 -.3100 148 VAL 354 .9834 999.9900 .4980 999.9900 .6959 .7258 .4735 .4040 .4330 .6110 149 LEU 355 .8182 .5563 999.9900 999.9900 -1.0998 .0916 .6298 .3673 .4767 .2544 150 GLU 356 .1185 -.3559 999.9900 -1.0323 .7127 -.1392 .4959 .4271 .4557 .0610 151 GLN 357 .9013 -2.6982 999.9900 1.3059 .7055 .0536 .4408 .4605 .4523 .1860 152 PHE 358 1.2168 .3192 999.9900 999.9900 .5495 .6951 .3811 .6473 .5364 .6228 153 LEU 359 1.1349 .5402 999.9900 999.9900 .6926 .7892 .1809 .5500 .3962 .6197 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .0351 -.1892 .6387 .6718 .6571 .2330 155 ALA 361 .2107 999.9900 999.9900 999.9900 .0817 .1462 .5902 .6190 .6070 .3754 156 LEU 362 -.5813 .9108 999.9900 999.9900 -.7775 -.1493 .4520 .0997 .2465 .0208 157 PRO 363 .5449 999.9900 999.9900 999.9900 .2426 .3938 .5319 .2093 .3437 .3822 158 PRO 364 -.5836 999.9900 999.9900 999.9900 .2426 -.1705 .5743 .5942 .5859 .2069 159 GLU 365 .8733 -.1645 999.9900 -1.0323 1.0761 .1881 .6725 .3424 .4800 .2946 160 ILE 366 .6852 .6227 999.9900 999.9900 .4912 .5997 .5990 .5894 .5934 .5975 161 GLN 367 1.0381 .7444 999.9900 1.3059 .0346 .7808 .6200 .6106 .6145 .7256 162 ALA 368 .8001 999.9900 999.9900 999.9900 -.2278 .2862 .6309 .6310 .6309 .4585 163 ARG 369 1.1353 -.2494 999.9900 .5548 -.4506 .3090 .4635 .5691 .5251 .3682 164 VAL 370 .8065 999.9900 -.2457 999.9900 -.6089 -.0161 .3539 .5811 .4864 .1774 165 GLN 371 .7451 -.1114 999.9900 1.3059 .6605 .6500 .4549 .6558 .5721 .6185 166 GLY 372 .4759 999.9900 999.9900 999.9900 .7185 .5972 .6372 .6349 .6359 .6166 167 GLN 373 -2.0516 .0854 999.9900 1.3059 -1.6155 -.5690 .5830 .3786 .4638 -.2190 168 ARG 374 -2.9267 .1080 999.9900 1.0005 .5640 -.0507 .5096 -.0151 .2035 .0344 169 PRO 375 -.8433 999.9900 999.9900 999.9900 .4021 -.2206 .4167 .5815 .5128 .1392 170 GLY 376 .9055 999.9900 999.9900 999.9900 .4101 .6578 .5504 .6241 .5913 .6225 171 SER 377 .0135 999.9900 -.0289 999.9900 .4364 .1404 .4403 .4752 .4607 .2673 172 PRO 378 -.8433 999.9900 999.9900 999.9900 .7944 -.0244 .4736 .4002 .4308 .2062 173 GLU 379 .6833 .6303 999.9900 -1.0323 .3899 .1678 .5565 .5437 .5491 .2952 174 GLU 380 .8171 -.3559 999.9900 -1.0323 -.1261 -.1743 .2416 .5988 .4500 .0239 175 ALA 381 .9879 999.9900 999.9900 999.9900 .6227 .8053 .5179 .6421 .5903 .6926 176 ALA 382 .5799 999.9900 999.9900 999.9900 .7881 .6840 .4794 .6155 .5588 .6157 177 ALA 383 .7636 999.9900 999.9900 999.9900 .4419 .6028 .6690 .6014 .6296 .6190 178 LEU 384 .8442 -3.3760 999.9900 999.9900 .6708 -.6203 .3914 -.2307 .0285 -.3400 179 VAL 385 .7683 999.9900 .8662 999.9900 .6959 .7768 .5825 .6315 .6111 .7089 180 ASP 386 .8349 -1.6521 999.9900 999.9900 -.3226 -.3799 .4938 .6677 .5953 .0044 181 GLY 387 -1.5291 999.9900 999.9900 999.9900 .3016 -.6137 .6304 .6675 .6510 .0176 182 LEU 388 -.3493 .8710 999.9900 999.9900 .6258 .3825 .5937 .5899 .5915 .4662 183 ARG 389 -.4063 -.1448 999.9900 .1593 -.0022 -.0469 .2331 .5690 .4290 .0811 184 ARG 390 -.6927 .6306 999.9900 1.7915 .0662 .7174 .0475 .5053 .3146 .5914 185 GLU 391 -1.2298 -.2267 999.9900 -1.0323 .5390 -.4875 .5008 .2274 .3413 -.2036 186 PRO 392 -2.7614 999.9900 999.9900 999.9900 .2989 -1.2313 .2172 .4535 .3551 -.4480 187 GLY 393 -.7504 999.9900 999.9900 999.9900 .8277 .0386 -.1470 .5150 .2208 .1113 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -2.0991 -.4288 -1.2639 -1.2639 Means: .1848 -.0077 .0533 .3779 .1314 .1573 .3262 .3895 .3630 .2342 2.00 refined_16