1 GLY 1 999.9900 999.9900 999.9900 999.9900 .0036 .0036 -.4185 .6881 .1348 .0910 2 SER 2 .2423 999.9900 .6576 999.9900 .9098 .6032 -.6276 .4254 -.0133 .3215 3 ASP 3 -.1930 .2955 999.9900 999.9900 -1.1781 -.3585 .2174 .3235 .2793 -.1069 4 PRO 4 .3509 999.9900 999.9900 999.9900 .4021 .3765 .5752 .3956 .4704 .4309 5 GLY 5 -1.0699 999.9900 999.9900 999.9900 -.2551 -.6625 -.4783 .4170 .0191 -.3466 6 PRO 6 -.1156 999.9900 999.9900 999.9900 .1827 .0336 .4158 .2056 .2932 .1721 7 GLU 7 .1885 1.0525 999.9900 -1.0323 -1.2865 -.2695 .5474 .3647 .4408 -.0276 8 ALA 8 .6496 999.9900 999.9900 999.9900 -.0434 .3031 .5008 .6971 .6153 .4510 9 ALA 9 .7636 999.9900 999.9900 999.9900 .6227 .6931 .5327 .5943 .5687 .6283 10 ARG 10 .8469 .7238 999.9900 .1593 .7064 .5191 .6288 .3605 .4723 .5121 11 LEU 11 1.1349 .5315 999.9900 999.9900 .4774 .7146 -.2723 .4754 .1639 .4694 12 ARG 12 .6323 1.0644 999.9900 1.0005 .5640 .8524 .5159 .5590 .5410 .7624 13 PHE 13 1.0502 -.4306 999.9900 999.9900 .2172 .2789 .4816 -.1193 .1311 .2398 14 ARG 14 -.3457 .3075 999.9900 .1593 -.0022 .0556 .4577 .6379 .5628 .1963 15 CYS 15 .2410 999.9900 .1296 999.9900 1.0610 .4772 .5508 .5456 .5478 .5056 16 PHE 16 -.8715 -.1118 999.9900 999.9900 .0736 -.3032 -.6989 .6404 .0824 -.1936 17 HIS 17 -.5497 -.3484 999.9900 999.9900 -1.0138 -.6373 -1.5393 .2304 -.5070 -.6442 18 TYR 18 .0406 -.2298 999.9900 999.9900 .4594 .0901 -1.6056 .2326 -.5333 -.2206 19 GLU 19 -.8041 -.7281 999.9900 -1.0323 -.3220 -.7216 -.1674 .3700 .1461 -.4473 20 GLU 20 .6116 -.3402 999.9900 1.1588 .6899 .5300 .5715 .4432 .4967 .5225 21 ALA 21 .8001 999.9900 999.9900 999.9900 .4012 .6006 .6087 .5101 .5512 .5800 22 THR 22 -.1023 999.9900 -.8810 999.9900 .2932 -.2300 .1677 .4208 .3153 -.0203 23 GLY 23 -.5702 999.9900 999.9900 999.9900 -.2990 -.4346 .6213 .3024 .4441 .0136 24 PRO 24 .0709 999.9900 999.9900 999.9900 .1827 .1268 -.1545 .5427 .2522 .1605 25 GLN 25 .1338 -.9251 999.9900 2.7911 -.7286 .3178 -.3760 .1796 -.0519 .1791 26 GLU 26 .6833 .5296 999.9900 -1.0323 -.4821 -.0754 .4495 .3305 .3801 .0797 27 ALA 27 .9879 999.9900 999.9900 999.9900 .6227 .8053 .5651 .6590 .6199 .7087 28 LEU 28 .8786 .8730 999.9900 999.9900 .7753 .8423 .5484 .5966 .5765 .7344 29 ALA 29 .9879 999.9900 999.9900 999.9900 .4999 .7439 .5913 .6870 .6471 .6915 30 GLN 30 1.2265 1.1815 999.9900 1.3059 .3348 1.0122 .2779 .4727 .3915 .7999 31 LEU 31 1.1349 .6236 999.9900 999.9900 -.1723 .5287 .6656 .5255 .5839 .5555 32 ARG 32 .9011 .8024 999.9900 .1593 .6017 .5248 .6400 .0179 .2771 .4688 33 GLU 33 .8733 -.2533 999.9900 -1.0323 -.1261 -.1346 .1013 -.4508 -.2208 -.1480 34 LEU 34 .9913 .8847 999.9900 999.9900 .4774 .7845 .3658 .6611 .5381 .6761 35 CYS 35 1.4696 999.9900 .1296 999.9900 .9108 .8367 .4805 .5425 .5167 .7066 36 ARG 36 .6655 -1.7413 999.9900 1.3960 -.5739 .2285 -.6641 -.3014 -.4525 .0253 37 GLN 37 1.2265 -.1114 999.9900 1.3059 .1963 .6543 .4146 .0279 .1890 .5100 38 TRP 38 -.1038 -.7344 999.9900 999.9900 -.1614 -.3332 .2814 -.2163 -.0089 -.1869 39 LEU 39 -.8032 -2.5464 999.9900 999.9900 .4774 -.9574 .2764 -.1717 .0150 -.5535 40 ARG 40 -2.9267 1.0644 999.9900 .1593 .7064 -.1675 .6283 -.0223 .2488 -.0330 41 PRO 41 -.1497 999.9900 999.9900 999.9900 .2426 .0465 .4812 .6501 .5797 .3060 42 GLU 42 .8171 -.4584 999.9900 -1.0323 -.6780 -.3379 .4436 .5956 .5322 -.0521 43 VAL 43 -1.1810 999.9900 -.0276 999.9900 .7810 -.1425 .3489 .5735 .4799 .0990 44 ARG 44 -.2612 1.0644 999.9900 .1593 .4407 .3125 .0266 .4385 .2669 .2896 45 SER 45 -.9779 999.9900 -.7153 999.9900 -.8619 -.8517 .0103 .3269 .1949 -.4436 46 LYS 46 1.2214 -.0433 999.9900 -.0397 .6340 .3465 .0004 -.1074 -.0625 .2323 47 GLU 47 .8604 .7809 999.9900 -1.0323 .6424 .3128 .4466 .2477 .3306 .3243 48 GLN 48 .7370 .5350 999.9900 1.3059 .7055 .8209 .4820 .6746 .5944 .7400 49 MET 49 1.1168 .3567 999.9900 .9587 -1.9874 .1112 .3139 .6194 .4921 .2297 50 LEU 50 .2355 -1.8410 999.9900 999.9900 .4774 -.3760 .2995 .5247 .4309 -.0608 51 GLU 51 .7157 .4305 999.9900 -1.0323 .6899 .2009 .6486 .6518 .6505 .3507 52 LEU 52 1.1349 .8730 999.9900 999.9900 .9730 .9936 .4762 .6743 .5918 .8263 53 LEU 53 .6509 -1.7554 999.9900 999.9900 -1.2350 -.7798 -.2451 -.4225 -.3485 -.6014 54 VAL 54 .9834 999.9900 .9224 999.9900 .2144 .7067 .4136 .4965 .4620 .6061 55 LEU 55 .8182 .5563 999.9900 999.9900 -.1229 .4172 .6591 .3574 .4831 .4536 56 GLU 56 .1185 -.3719 999.9900 .3501 -.1261 -.0074 .6358 .5220 .5694 .1881 57 GLN 57 .9013 -2.2325 999.9900 1.3059 .1963 .0427 .6025 .5086 .5477 .2137 58 PHE 58 1.2168 .5389 999.9900 999.9900 .5495 .7684 .4992 .6425 .5828 .6894 59 LEU 59 .8475 .5402 999.9900 999.9900 .7348 .7075 .5196 .4283 .4664 .6141 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .0351 -.1892 .6928 .6792 .6853 .2484 61 ALA 61 .2107 999.9900 999.9900 999.9900 -1.1070 -.4482 .6408 .5981 .6159 .0856 62 LEU 62 -.3571 .9108 999.9900 999.9900 -.1723 .1271 .6419 .1771 .3708 .2401 63 PRO 63 .4197 999.9900 999.9900 999.9900 .4496 .4347 .2660 .0816 .1584 .3042 64 PRO 64 -3.0630 999.9900 999.9900 999.9900 .8563 -1.1034 .4880 .4409 .4605 -.3195 65 GLU 65 .7157 -.3402 999.9900 -1.0323 .4526 -.0511 .5615 .5754 .5696 .1554 66 ILE 66 .6852 .6227 999.9900 999.9900 .5300 .6126 .5060 .6450 .5871 .5978 67 GLN 67 1.2265 .6816 999.9900 1.3059 .6605 .9686 .6059 .6491 .6311 .8549 68 ALA 68 .9879 999.9900 999.9900 999.9900 .7881 .8880 .6968 .6891 .6923 .7905 69 ARG 69 1.1353 .1897 999.9900 1.7124 -.2445 .9011 .6448 .6143 .6270 .8235 70 VAL 70 .9834 999.9900 .3968 999.9900 .4989 .6263 .0534 .3784 .2430 .4622 71 GLN 71 .1632 -1.9601 999.9900 1.3059 -.7286 -.3049 -.0236 -.4570 -.2764 -.2834 72 GLY 72 -.4135 999.9900 999.9900 999.9900 -.2133 -.3134 -.0726 .6399 .3232 -.0149 73 GLN 73 -3.1236 1.1250 999.9900 1.3059 -2.2865 -.7448 .4997 .2360 .3459 -.3739 74 ARG 74 -2.9267 -2.8571 999.9900 .7862 -.4506 -.9324 .5323 -1.1968 -.4763 -.7609 75 PRO 75 .4698 999.9900 999.9900 999.9900 .4949 .4824 .4543 .5118 .4879 .4827 76 GLY 76 .9055 999.9900 999.9900 999.9900 -.0291 .4382 .2510 .5860 .4371 .4284 77 SER 77 .2423 999.9900 .3727 999.9900 -.0193 .1986 .3112 .4049 .3659 .2624 78 PRO 78 -.8433 999.9900 999.9900 999.9900 .6931 -.0751 .5394 .4778 .5035 .2167 79 GLU 79 .8733 1.0525 999.9900 -1.0323 .1264 .2550 .5035 .5077 .5059 .3385 80 GLU 80 .8171 -.4584 999.9900 1.1588 -.3984 .2798 -.0935 .5087 .2578 .2557 81 ALA 81 .9879 999.9900 999.9900 999.9900 .9520 .9699 .5878 .5972 .5933 .7812 82 ALA 82 .8241 999.9900 999.9900 999.9900 .4617 .6429 .1963 .5646 .4112 .5117 83 ALA 83 .7636 999.9900 999.9900 999.9900 .9520 .8578 .5796 .5538 .5645 .7122 84 LEU 84 .8442 -3.3760 999.9900 999.9900 -.1723 -.9014 .2666 -.6281 -.2553 -.6131 85 VAL 85 .3707 999.9900 -1.0788 999.9900 .4426 -.0885 .6985 .4775 .5696 .1821 86 ASP 86 1.1359 -1.1646 999.9900 999.9900 .7118 .2277 .5905 .5577 .5714 .3663 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .8277 .2957 .5128 .6423 .5847 .4366 88 LEU 88 -.5279 .8730 999.9900 999.9900 .7139 .3530 .5434 .6911 .6295 .4587 89 ARG 89 -.6927 1.0644 999.9900 1.0856 .4407 .5967 .1139 .5766 .3838 .5248 90 ARG 90 .8469 1.0644 999.9900 .5548 -2.3710 .1300 .4704 .6130 .5536 .2476 91 GLU 91 -1.7894 -.4224 999.9900 -1.0323 .5112 -.6832 .4019 .4480 .4288 -.3138 92 PRO 92 -3.3827 999.9900 999.9900 999.9900 .1827 -1.6000 .1875 .4985 .3689 -.6285 93 GLY 93 -3.4864 999.9900 999.9900 999.9900 .4303 -1.5280 -.2580 .6983 .2733 -.6540 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4907 .6905 .5763 .5906 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .4303 .4303 -.4045 .6388 .1916 .2215 96 SER 302 -1.6374 999.9900 -.0289 999.9900 .5740 -.3641 .2838 .4284 .3681 -.0760 97 ASP 303 -1.3478 -.7868 999.9900 999.9900 -.3226 -.8191 .3087 .2729 .2878 -.3751 98 PRO 304 .4698 999.9900 999.9900 999.9900 .7618 .6158 .4791 .3435 .4000 .5136 99 GLY 305 -1.0150 999.9900 999.9900 999.9900 .7185 -.1482 .1072 .5111 .3316 .0805 100 PRO 306 .3509 999.9900 999.9900 999.9900 .6931 .5220 .3778 .6258 .5225 .5119 101 GLU 307 -.2011 1.0525 999.9900 -1.0323 .2101 .0073 .2878 .6336 .4895 .1584 102 ALA 308 .6496 999.9900 999.9900 999.9900 .1657 .4077 .5515 .7005 .6384 .5168 103 ALA 309 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4988 .6823 .6058 .6726 104 ARG 310 1.1353 .7238 999.9900 .1593 .3956 .5147 .5166 .3295 .4075 .4885 105 LEU 311 .9913 .5315 999.9900 999.9900 -.1229 .4666 -.3208 .3141 .0495 .2786 106 ARG 312 .9011 1.0644 999.9900 1.0856 -.0022 .8269 .4446 .2731 .3445 .6932 107 PHE 313 1.1962 .3192 999.9900 999.9900 -.0962 .4731 .5115 -.1054 .1516 .3651 108 ARG 314 .1485 .6306 999.9900 .1593 -.3418 .1512 .5589 .5916 .5780 .2724 109 CYS 315 -.2798 999.9900 .1296 999.9900 -.0920 -.0807 .4713 .5805 .5350 .1619 110 PHE 316 -.6534 -.0015 999.9900 999.9900 .2815 -.1245 .1352 .6404 .4299 .0804 111 HIS 317 -.3517 -.0777 999.9900 999.9900 -.1902 -.2065 -.8941 .1822 -.2662 -.2663 112 TYR 318 -.5013 -.5584 999.9900 999.9900 .6556 -.1347 -1.4278 -.0184 -.6057 -.3701 113 GLU 319 -1.1136 -.7281 999.9900 -1.0323 .0814 -.6981 -.2205 .2930 .0790 -.4533 114 GLU 320 .1449 -.3402 999.9900 -1.0323 .6424 -.1463 .4409 .3735 .4016 .0382 115 ALA 321 .8001 999.9900 999.9900 999.9900 .2428 .5214 .5876 .1484 .3314 .4447 116 THR 322 -.2485 999.9900 -.8810 999.9900 .0022 -.3758 .2814 .4268 .3662 -.0838 117 GLY 323 -.5702 999.9900 999.9900 999.9900 -.6865 -.6283 .6644 -.4819 .0276 -.2685 118 PRO 324 -1.9929 999.9900 999.9900 999.9900 -1.0436 -1.5183 -.9343 .4866 -.1055 -.8711 119 GLN 325 .1338 .1167 999.9900 1.3059 -.2736 .3207 -1.3846 -.1868 -.6859 -.0481 120 GLU 326 .6833 .5296 999.9900 1.1588 -1.8950 .1192 .5043 .4030 .4452 .2306 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .5644 .6302 .6028 .5174 122 LEU 328 .8786 .8730 999.9900 999.9900 .7753 .8423 .2130 .4103 .3281 .6300 123 ALA 329 .7636 999.9900 999.9900 999.9900 .4419 .6028 .5956 .6137 .6062 .6037 124 GLN 330 1.0381 1.1815 999.9900 1.3059 .2680 .9484 .2159 .4179 .3337 .7379 125 LEU 331 1.1349 .9108 999.9900 999.9900 .3648 .8035 .3762 .6237 .5206 .6821 126 ARG 332 1.0056 .8024 999.9900 .5548 .5640 .6963 .6348 .5778 .6016 .6706 127 GLU 333 .8171 -.2670 999.9900 -1.0323 .4218 -.0151 .0837 .0214 .0474 .0074 128 LEU 334 1.1349 .8730 999.9900 999.9900 -.0758 .6440 .4945 .6491 .5847 .6151 129 CYS 335 1.4696 999.9900 .8629 999.9900 .7355 1.0227 .5409 .3220 .4132 .7862 130 ARG 336 1.1353 -1.8960 999.9900 .5548 .9385 .2575 -.3848 -.0119 -.1673 .1273 131 GLN 337 .9732 .4898 999.9900 1.3059 1.1269 .9739 .2117 .2504 .2343 .7263 132 TRP 338 -1.7348 -1.9067 999.9900 999.9900 -.4740 -1.3718 .2232 -.4354 -.1610 -.8655 133 LEU 339 .6296 .5521 999.9900 999.9900 .5787 .5868 .6436 .6228 .6315 .6054 134 ARG 340 -2.5097 1.0644 999.9900 .6901 .9385 .1746 .5808 .0726 .2844 .2181 135 PRO 341 .0709 999.9900 999.9900 999.9900 .7618 .4164 .4898 .3164 .3886 .4097 136 GLU 342 1.0761 -.7859 999.9900 .3501 -1.5390 -.2247 .4386 .3290 .3747 -.0219 137 VAL 343 -1.8566 999.9900 .1416 999.9900 .8778 -.2791 .5479 .4943 .5166 .0410 138 ARG 344 -.4840 1.1699 999.9900 .6901 .2455 .4623 -.4484 .0538 -.1555 .2738 139 SER 345 -.1368 999.9900 -.7153 999.9900 .6705 -.0606 -.0349 .2791 .1483 .0125 140 LYS 346 1.0429 1.1634 999.9900 .6878 .3573 .7879 .4476 .4021 .4211 .6841 141 GLU 347 .8604 .7809 999.9900 -1.0323 .6424 .3128 .5953 .4315 .4998 .3797 142 GLN 348 .4537 .4660 999.9900 1.3059 .7055 .7328 .5918 .6859 .6467 .7015 143 MET 349 .8064 .8879 999.9900 .9587 -.5376 .5288 .0669 .6154 .3868 .4663 144 LEU 350 .8182 -1.6462 999.9900 999.9900 .7348 -.0311 .1346 .3424 .2558 .0768 145 GLU 351 .1185 .3905 999.9900 -1.0323 .3568 -.0416 .5816 .5540 .5655 .1615 146 LEU 352 1.1349 .8847 999.9900 999.9900 .1683 .7293 .2331 .6644 .4847 .6171 147 LEU 353 -.0169 -.6141 999.9900 999.9900 -1.0998 -.5769 -.0206 -.0023 -.0099 -.3507 148 VAL 354 1.0462 999.9900 .6672 999.9900 -.3121 .4671 .5892 .4693 .5193 .4920 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .6258 -.2865 .3401 .0950 .1971 -.0849 150 GLU 356 .7157 -.4224 999.9900 .3501 .5390 .2956 .4932 .5271 .5130 .3671 151 GLN 357 .6461 -2.2325 999.9900 1.3059 -.2736 -.1385 .5630 .3509 .4392 .0599 152 PHE 358 1.2168 .5389 999.9900 999.9900 .5949 .7835 .5551 .6241 .5953 .7059 153 LEU 359 .8475 .5402 999.9900 999.9900 .0933 .4936 .5108 .2915 .3828 .4566 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .0351 -.1892 .6984 .6709 .6831 .2477 155 ALA 361 .2107 999.9900 999.9900 999.9900 -1.1070 -.4482 .6577 .5836 .6145 .0862 156 LEU 362 -.3571 .9108 999.9900 999.9900 -.0758 .1593 .5833 .2316 .3782 .2586 157 PRO 363 .5449 999.9900 999.9900 999.9900 -.0243 .2603 .4736 .1141 .2639 .2771 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .6188 -.3312 .4918 .5696 .5372 .0997 159 GLU 365 .8733 -.4402 999.9900 -1.0323 .6424 .0108 .5740 .5003 .5310 .1862 160 ILE 366 .6852 .6227 999.9900 999.9900 .7362 .6814 .5160 .5955 .5624 .6311 161 GLN 367 1.2265 .6816 999.9900 1.3059 .5636 .9444 .6396 .5654 .5963 .8304 162 ALA 368 .8001 999.9900 999.9900 999.9900 .6227 .7114 .6346 .6348 .6347 .6731 163 ARG 369 1.1353 .1897 999.9900 .7862 -.0761 .5642 .5750 .6628 .6262 .5799 164 VAL 370 .3707 999.9900 .5873 999.9900 -.3121 .2153 -.0092 .5035 .2899 .2280 165 GLN 371 .1632 -1.7668 999.9900 1.3059 -.0576 -.0889 .2451 .5267 .4094 .0694 166 GLY 372 -.4135 999.9900 999.9900 999.9900 -.1350 -.2743 .1271 .6587 .4225 .0593 167 GLN 373 -3.1236 .8911 999.9900 1.3059 -1.2230 -.5374 .4638 .4344 .4466 -.2086 168 ARG 374 -2.5097 -2.3766 999.9900 .1593 -.2445 -.9624 .4349 -.9773 -.3889 -.7649 169 PRO 375 .4216 999.9900 999.9900 999.9900 .8563 .6389 .2840 .4314 .3700 .4983 170 GLY 376 .9055 999.9900 999.9900 999.9900 -.3938 .2559 .1628 .6116 .4121 .3215 171 SER 377 -.3484 999.9900 -.0289 999.9900 -.5437 -.3070 -.0324 .2071 .1073 -.1492 172 PRO 378 -.5836 999.9900 999.9900 999.9900 -.1935 -.3885 .1901 .4503 .3419 -.0342 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.1867 .1292 .5191 .2860 .3831 .2203 174 GLU 380 .8171 -.3559 999.9900 -1.0323 .3223 -.0622 .0992 .5154 .3420 .0610 175 ALA 381 .9879 999.9900 999.9900 999.9900 .3801 .6840 .5794 .6140 .5996 .6404 176 ALA 382 .8241 999.9900 999.9900 999.9900 .7458 .7850 .1874 .5434 .3951 .5752 177 ALA 383 .7636 999.9900 999.9900 999.9900 .6390 .7013 .2436 .3618 .3126 .5020 178 LEU 384 .8442 -3.3760 999.9900 999.9900 .1683 -.7878 .2571 -1.0292 -.4933 -.6271 179 VAL 385 .3707 999.9900 -.2457 999.9900 .6025 .2425 .6922 .4157 .5309 .3671 180 ASP 386 .3915 -.5059 999.9900 999.9900 .7118 .1991 .5153 .5455 .5329 .3316 181 GLY 387 -.2363 999.9900 999.9900 999.9900 .0951 -.0706 .4578 .6834 .5831 .2500 182 LEU 388 -.5279 .8710 999.9900 999.9900 -.2242 .0396 .2338 .6230 .4609 .1951 183 ARG 389 -.9010 1.0858 999.9900 .6901 -1.0907 .0948 .0936 .6019 .3901 .1671 184 ARG 390 -.0882 1.1699 999.9900 .1593 .7064 .4213 .5041 .2999 .3850 .4158 185 GLU 391 -1.7894 -.3559 999.9900 -1.0323 -.1261 -.8259 .2580 .5711 .4406 -.4124 186 PRO 392 -2.5362 999.9900 999.9900 999.9900 .2426 -1.1468 .1652 .5890 .4124 -.3848 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .4101 -1.5381 -.1276 .6949 .3293 -.6273 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.6069 .4759 -.0655 -.0655 Means: .1373 -.0029 .0197 .3860 .1463 .1483 .2913 .3832 .3446 .2215 2.00 refined_5