1 GLY 1 999.9900 999.9900 999.9900 999.9900 -.1733 -.1733 .4212 .6977 .5595 .3152 2 SER 2 -.2454 999.9900 .3727 999.9900 .1597 .0957 .1326 .6008 .4057 .2041 3 ASP 3 -.6028 -.9304 999.9900 999.9900 -.2530 -.5954 .5267 .4801 .4995 -.1559 4 PRO 4 -2.6996 999.9900 999.9900 999.9900 .4496 -1.1250 .2329 .6102 .4530 -.3517 5 GLY 5 -1.7079 999.9900 999.9900 999.9900 .8277 -.4401 .1500 .5016 .3453 -.0572 6 PRO 6 .6171 999.9900 999.9900 999.9900 .6931 .6551 .5849 .5078 .5399 .6007 7 GLU 7 .6116 -.5578 999.9900 -1.0323 .2101 -.1921 .6137 .4889 .5409 .0557 8 ALA 8 .6496 999.9900 999.9900 999.9900 .2671 .4584 .4947 .6678 .5957 .5198 9 ALA 9 .6496 999.9900 999.9900 999.9900 .3365 .4931 .5774 .6264 .6060 .5475 10 ARG 10 .8469 .7238 999.9900 .1593 .8581 .5495 .3759 .5796 .4947 .5290 11 LEU 11 .8475 .3419 999.9900 999.9900 -.1229 .3555 -.1318 .2732 .1045 .2416 12 ARG 12 .1188 1.0644 999.9900 .1593 -1.7309 -.0458 .5051 .6022 .5617 .1255 13 PHE 13 .6259 .6387 999.9900 999.9900 -.9498 .1049 .1599 .0233 .0802 .0996 14 ARG 14 .1485 -.2334 999.9900 .5548 .5640 .3178 .3859 .6206 .5228 .3708 15 CYS 15 -.2217 999.9900 .8629 999.9900 -.3261 .1050 .5953 .5972 .5964 .3015 16 PHE 16 -1.4107 -.6014 999.9900 999.9900 .2172 -.5983 .2767 .5798 .4535 -.1877 17 HIS 17 -.4783 -.0777 999.9900 999.9900 -1.6368 -.7309 -1.1117 .2749 -.3028 -.6059 18 TYR 18 -.5013 -.5584 999.9900 999.9900 .7784 -.0938 -1.2652 .1585 -.4347 -.2776 19 GLU 19 -.7635 -.4402 999.9900 1.7325 -.1867 .0855 -1.3929 .3116 -.3986 -.1232 20 GLU 20 .4426 1.2230 999.9900 -1.0323 1.0761 .4274 .2182 .4946 .3794 .4037 21 ALA 21 .8001 999.9900 999.9900 999.9900 .4012 .6006 .6269 .5707 .5941 .5997 22 THR 22 -.1023 999.9900 -.8810 999.9900 .3342 -.2164 .0572 .4382 .2794 -.0307 23 GLY 23 -1.0150 999.9900 999.9900 999.9900 -.0291 -.5220 .6244 .0814 .3227 -.0846 24 PRO 24 .4698 999.9900 999.9900 999.9900 .4021 .4359 .5467 .5657 .5578 .4961 25 GLN 25 .9013 -1.3908 999.9900 1.3059 .3348 .2878 .4159 .1833 .2802 .2917 26 GLU 26 .6833 .5296 999.9900 -1.0323 -1.0906 -.2275 .6224 .4386 .5152 .0252 27 ALA 27 .8241 999.9900 999.9900 999.9900 -.1129 .3556 .6476 .6449 .6460 .5009 28 LEU 28 .9913 .8847 999.9900 999.9900 .4504 .7755 .3105 .4905 .4155 .6255 29 ALA 29 .8241 999.9900 999.9900 999.9900 .0520 .4380 .4407 .6468 .5609 .4909 30 GLN 30 .6461 .7982 999.9900 1.3059 .7055 .8639 .2550 .4816 .3872 .6987 31 LEU 31 .8182 .9108 999.9900 999.9900 .4774 .7355 .5003 .5912 .5533 .6596 32 ARG 32 .8469 -.1311 999.9900 .7862 -.2445 .4087 .3653 .5080 .4486 .4167 33 GLU 33 .5470 .6046 999.9900 -1.0323 .0339 .0383 .6339 .3802 .4859 .1946 34 LEU 34 .9913 .8730 999.9900 999.9900 .9730 .9457 .6728 .6245 .6447 .8269 35 CYS 35 1.4696 999.9900 .1296 999.9900 1.0610 .8867 .4160 .5928 .5191 .7338 36 ARG 36 .6655 -2.0954 999.9900 1.0005 -.4506 .0241 -.0113 .1010 .0542 .0300 37 GLN 37 .0311 1.2376 999.9900 3.6599 .5636 1.3730 .3143 .5463 .4496 1.0588 38 TRP 38 -.9087 -1.9067 999.9900 999.9900 .2792 -.8454 .3363 -.1256 .0669 -.4651 39 LEU 39 .0401 -2.7185 999.9900 999.9900 .7348 -.6479 .3725 -.2303 .0209 -.3603 40 ARG 40 -2.9267 1.0858 999.9900 .1593 .2455 -.2553 .5464 .1707 .3272 -.0799 41 PRO 41 .0709 999.9900 999.9900 999.9900 -.1050 -.0171 .3800 .0923 .2122 .1095 42 GLU 42 .6833 -.3402 999.9900 -1.0323 .2491 -.1100 .4765 .2015 .3161 .0396 43 VAL 43 -2.3613 999.9900 -.2457 999.9900 .6503 -.6522 .4921 .4465 .4655 -.2036 44 ARG 44 -.6106 1.1699 999.9900 .9503 .7064 .6333 .0053 .2432 .1441 .4878 45 SER 45 -.7443 999.9900 -.7153 999.9900 -.7427 -.7341 .0498 .2584 .1715 -.3788 46 LYS 46 1.0429 1.1634 999.9900 .1731 -.4892 .4126 -.2279 -.0963 -.1512 .2484 47 GLU 47 .6833 -2.8418 999.9900 -1.0323 -1.2865 -1.1193 .0088 .3917 .2322 -.6795 48 GLN 48 .3572 1.1815 999.9900 1.3059 -1.6155 .3073 .2894 .5963 .4684 .3525 49 MET 49 .8064 .8830 999.9900 1.7963 -1.2625 .5558 -.1304 .5295 .2545 .4370 50 LEU 50 .8182 .8847 999.9900 999.9900 -.2242 .4929 .1619 .2371 .2058 .3756 51 GLU 51 .1185 .1870 999.9900 -1.0323 .1264 -.1501 .4572 -.4815 -.0904 -.1041 52 LEU 52 1.1349 .8730 999.9900 999.9900 -.3982 .5366 .2441 .6744 .4951 .5056 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -.7775 -.4695 -.3773 -.4149 -.3992 -.4401 54 VAL 54 1.0462 999.9900 .7395 999.9900 .6734 .8197 .3296 .3353 .3329 .6248 55 LEU 55 .8786 .5563 999.9900 999.9900 .2381 .5577 .6590 .4560 .5406 .5576 56 GLU 56 .1185 .6687 999.9900 -1.0323 -.1867 -.1080 .2177 .5196 .3939 .0509 57 GLN 57 .9013 -2.6982 999.9900 1.3059 .1963 -.0737 .4591 .4781 .4702 .1071 58 PHE 58 1.2168 .8308 999.9900 999.9900 .5949 .8808 .5678 .6820 .6344 .7785 59 LEU 59 .8475 .8730 999.9900 999.9900 .9565 .8923 .4878 .4878 .4878 .7305 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .5069 .1353 .6552 .6737 .6654 .3998 61 ALA 61 .2107 999.9900 999.9900 999.9900 -.6283 -.2088 .6149 .6278 .6225 .2063 62 LEU 62 -.5813 .9108 999.9900 999.9900 .1315 .1537 .6035 .0048 .2543 .2139 63 PRO 63 .5449 999.9900 999.9900 999.9900 .0500 .2974 .5727 .2504 .3847 .3545 64 PRO 64 .0003 999.9900 999.9900 999.9900 .7281 .3642 .6407 .5459 .5854 .4787 65 GLU 65 .5470 -.3402 999.9900 1.1588 .6899 .5139 .5063 .4853 .4940 .5078 66 ILE 66 .6852 .6227 999.9900 999.9900 .6034 .6371 .6107 .6194 .6158 .6283 67 GLN 67 1.0064 .7444 999.9900 1.3059 .5113 .8920 .6699 .5930 .6250 .8052 68 ALA 68 .8001 999.9900 999.9900 999.9900 .0817 .4409 .6594 .6538 .6561 .5487 69 ARG 69 1.1353 .1080 999.9900 .6901 -.4506 .4346 .4782 .5800 .5376 .4616 70 VAL 70 .9834 999.9900 .3968 999.9900 -.8010 .1931 .0938 .4336 .2920 .2213 71 GLN 71 .1632 -.1114 999.9900 2.7911 .1188 .7404 .0652 .5291 .3358 .5927 72 GLY 72 -.4135 999.9900 999.9900 999.9900 -.0631 -.2383 .3373 .5692 .4661 .1075 73 GLN 73 -2.0516 .4157 999.9900 1.3059 -2.2865 -.6541 .6375 .2131 .3899 -.2943 74 ARG 74 -2.9267 -2.8571 999.9900 .1593 .4407 -1.0049 .4194 -.6676 -.2147 -.7533 75 PRO 75 .4216 999.9900 999.9900 999.9900 .8563 .6389 .5907 .5281 .5542 .5992 76 GLY 76 1.0023 999.9900 999.9900 999.9900 .9364 .9694 .3303 .6492 .5075 .7296 77 SER 77 .0280 999.9900 -.0289 999.9900 -.0193 -.0067 .3424 .4107 .3823 .1466 78 PRO 78 -.8433 999.9900 999.9900 999.9900 .7281 -.0576 .6483 .5563 .5946 .2724 79 GLU 79 .6833 1.1195 999.9900 -1.0323 -.3984 .0930 .6793 .3751 .5018 .2377 80 GLU 80 .8733 -.3719 999.9900 .3501 .1264 .2445 .2232 .5774 .4298 .2964 81 ALA 81 .8241 999.9900 999.9900 999.9900 .8152 .8197 .6714 .6345 .6498 .7363 82 ALA 82 .5799 999.9900 999.9900 999.9900 .5367 .5583 .2770 .5483 .4353 .4855 83 ALA 83 .3637 999.9900 999.9900 999.9900 .2908 .3273 .5853 .6330 .6132 .4682 84 LEU 84 .6296 -3.3760 999.9900 999.9900 -.6084 -1.1183 .3169 -.5601 -.1947 -.7196 85 VAL 85 .5660 999.9900 -.0276 999.9900 -.2503 .0960 .4994 .1299 .2838 .1835 86 ASP 86 1.0149 -1.1348 999.9900 999.9900 .7118 .1973 .4931 .4972 .4955 .3164 87 GLY 87 .7290 999.9900 999.9900 999.9900 .6270 .6780 .6553 .6362 .6447 .6619 88 LEU 88 .2872 .8730 999.9900 999.9900 .4774 .5459 .5678 .6312 .6048 .5673 89 ARG 89 .9556 1.0644 999.9900 .1593 -.0761 .4525 .2966 .4020 .3581 .4230 90 ARG 90 -2.9267 -2.8571 999.9900 .1593 .7064 -.9518 -.2390 -.0719 -.1415 -.7243 91 GLU 91 -.4497 -.3402 999.9900 -1.0323 -2.5035 -1.0814 .1923 .4505 .3429 -.6138 92 PRO 92 -2.4417 999.9900 999.9900 999.9900 .4021 -1.0198 -.4140 .5680 .1588 -.4714 93 GLY 93 -2.6716 999.9900 999.9900 999.9900 .2782 -1.1967 -.1609 .6098 .2673 -.4861 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .3764 .3601 .3694 .3683 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .4883 .4883 -.3223 .6270 .2201 .2643 96 SER 302 -1.6828 999.9900 -.7153 999.9900 .8558 -.5141 .0077 .5400 .3182 -.1989 97 ASP 303 -.9509 -1.5978 999.9900 999.9900 .5431 -.6685 .4987 .4294 .4582 -.2155 98 PRO 304 -.1156 999.9900 999.9900 999.9900 .5793 .2319 .0741 .5123 .3297 .2625 99 GLY 305 -1.3427 999.9900 999.9900 999.9900 -.5578 -.9502 -.0737 .4065 .1931 -.3919 100 PRO 306 .4216 999.9900 999.9900 999.9900 -.1935 .1140 .6051 .4552 .5177 .3221 101 GLU 307 .3258 -2.8418 999.9900 -1.0323 -2.5035 -1.5130 .3328 -.9973 -.4431 -1.1194 102 ALA 308 .3573 999.9900 999.9900 999.9900 -.3587 -.0007 .6078 .6379 .6254 .3111 103 ALA 309 .5364 999.9900 999.9900 999.9900 -.4068 .0648 .5391 .5511 .5461 .3050 104 ARG 310 .9556 .7078 999.9900 .1593 .8581 .5680 .5338 .4232 .4693 .5425 105 LEU 311 1.1349 .3419 999.9900 999.9900 .5787 .6852 -.3236 .2449 .0081 .3954 106 ARG 312 1.0056 1.0644 999.9900 1.0856 .5640 .9610 .5148 .4774 .4930 .8282 107 PHE 313 1.2230 .0059 999.9900 999.9900 -.0962 .3775 .2398 -.1020 .0404 .2541 108 ARG 314 -.0882 .5439 999.9900 .1593 -.2445 .1060 .0811 .0465 .0609 .0939 109 CYS 315 .1379 999.9900 .1296 999.9900 .4013 .2229 .6566 .6094 .6291 .3870 110 PHE 316 -.2664 -.0015 999.9900 999.9900 .5949 .1090 .2931 .6043 .4746 .2449 111 HIS 317 -.5497 -.3484 999.9900 999.9900 -1.0138 -.6373 -.4402 .3715 .0333 -.3961 112 TYR 318 -.5013 .2264 999.9900 999.9900 .9193 .2148 -1.1796 .1352 -.4126 -.0800 113 GLU 319 -.7635 -.8834 999.9900 -1.0323 -.6780 -.8393 -.5376 .2886 -.0556 -.6010 114 GLU 320 .3258 1.1195 999.9900 -1.0323 .5390 .2380 .4815 .6095 .5561 .3405 115 ALA 321 .7636 999.9900 999.9900 999.9900 -.9190 -.0777 .5905 .5931 .5920 .2570 116 THR 322 .0584 999.9900 -.8810 999.9900 .5490 -.0912 .2672 .5472 .4305 .1082 117 GLY 323 -.4135 999.9900 999.9900 999.9900 -1.0172 -.7153 .4187 -.2082 .0704 -.3050 118 PRO 324 -1.9929 999.9900 999.9900 999.9900 -1.6867 -1.8398 -.9361 .5290 -.0815 -1.0217 119 GLN 325 .1338 .6315 999.9900 1.3059 -.5521 .3797 -.9708 -.4054 -.6410 .0238 120 GLU 326 .6833 .5296 999.9900 -1.0323 -1.5390 -.3396 .5185 .2385 .3552 -.1003 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.2694 .3592 .5133 .6176 .5741 .4623 122 LEU 328 .8786 .8730 999.9900 999.9900 .3942 .7152 .5247 .4454 .4785 .6232 123 ALA 329 .8241 999.9900 999.9900 999.9900 .3801 .6021 .2171 .5891 .4341 .5026 124 GLN 330 -.3431 .7982 999.9900 1.3059 .6605 .6054 .0223 .2555 .1584 .4499 125 LEU 331 .9913 .9108 999.9900 999.9900 .6486 .8502 .4401 .3837 .4072 .6749 126 ARG 332 .8469 -.0419 999.9900 1.2696 -.0761 .6536 -.3149 -.2760 -.2922 .3825 127 GLU 333 .8733 .7809 999.9900 -1.0323 .0339 .1639 .5126 .4092 .4523 .2629 128 LEU 334 .8442 .8710 999.9900 999.9900 .4227 .7126 .6101 .5284 .5624 .6553 129 CYS 335 1.0802 999.9900 .1296 999.9900 -1.7809 -.1904 .5917 .5201 .5499 .1081 130 ARG 336 .6655 -1.7413 999.9900 .6901 -.7163 -.0824 -.2524 -.0347 -.1254 -.0999 131 GLN 337 .0311 .5350 999.9900 2.7911 .9038 1.0652 .0000 .5228 .3050 .7973 132 TRP 338 -2.7772 -1.9067 999.9900 999.9900 -.1614 -1.6151 -.0201 -.2498 -.1541 -1.0230 133 LEU 339 .8442 .5521 999.9900 999.9900 .4504 .6156 .6603 .2509 .4215 .5516 134 ARG 340 -1.9585 1.0644 999.9900 .9503 -.7163 .0580 .4569 -.3915 -.0380 .0508 135 PRO 341 .3509 999.9900 999.9900 999.9900 .4949 .4229 .5548 .5889 .5747 .4974 136 GLU 342 .6833 -.8834 999.9900 -1.0323 .3568 -.2189 .4384 .4018 .4170 -.0059 137 VAL 343 -2.3613 999.9900 -.5532 999.9900 .5258 -.7962 .4590 .3334 .3858 -.3192 138 ARG 344 -.6106 .9821 999.9900 1.0776 .7064 .6466 -1.0151 .2363 -.2851 .3506 139 SER 345 -1.2908 999.9900 .3727 999.9900 -.6377 -.5186 -.4985 .1952 -.0939 -.3718 140 LYS 346 1.0429 1.1634 999.9900 -.0397 -1.0384 .2177 .5037 .1834 .3169 .2536 141 GLU 347 1.0761 -1.7714 999.9900 -1.0323 .2865 -.3603 .2418 .3885 .3274 -.1351 142 GLN 348 .3572 .7982 999.9900 1.3059 .0346 .6240 .4746 .4502 .4604 .5701 143 MET 349 .8064 .8879 999.9900 .9587 -1.2625 .3476 -.0522 .6262 .3435 .3274 144 LEU 350 .8182 -1.6462 999.9900 999.9900 .6258 -.0674 -.0408 .3461 .1849 .0206 145 GLU 351 .1185 .1870 999.9900 .3501 1.0761 .4329 .3975 -.4447 -.0938 .2808 146 LEU 352 1.1349 .8710 999.9900 999.9900 .2713 .7591 .2691 .6317 .4806 .6356 147 LEU 353 .6509 .1629 999.9900 999.9900 -.2790 .1783 -.0408 .2209 .1119 .1430 148 VAL 354 1.0462 999.9900 -.2457 999.9900 .5521 .4508 .6228 .3734 .4773 .4698 149 LEU 355 1.1349 .5563 999.9900 999.9900 -.1723 .5063 .6858 .4824 .5671 .5374 150 GLU 356 .1185 -2.8418 999.9900 -1.0323 .2491 -.8766 .2205 .2481 .2366 -.5063 151 GLN 357 .9013 -.4358 999.9900 1.3059 .7055 .6192 .3457 .5440 .4614 .5611 152 PHE 358 1.2168 .8308 999.9900 999.9900 .8629 .9702 .6209 .6884 .6603 .8440 153 LEU 359 1.1349 .5236 999.9900 999.9900 .7753 .8112 .3782 .2270 .2900 .6078 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .3466 -.0335 .6844 .6446 .6623 .3155 155 ALA 361 .2107 999.9900 999.9900 999.9900 -.3587 -.0740 .6071 .6480 .6310 .2768 156 LEU 362 -.3571 .8710 999.9900 999.9900 -.0308 .1610 .5189 .2022 .3341 .2408 157 PRO 363 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .4417 .2153 .3096 .2521 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .8563 -.2125 .5020 .4833 .4911 .1401 159 GLU 365 .5470 -.1645 999.9900 -1.0323 .5112 -.0347 .3725 .5757 .4910 .1349 160 ILE 366 1.0115 .6227 999.9900 999.9900 .7362 .7901 .5365 .5969 .5718 .7008 161 GLN 367 1.2265 .6816 999.9900 1.3059 .5113 .9313 .5488 .6434 .6040 .8196 162 ALA 368 .9879 999.9900 999.9900 999.9900 .7881 .8880 .6119 .6562 .6377 .7610 163 ARG 369 1.1353 .1897 999.9900 .1593 .1299 .3547 .5789 .6381 .6134 .4272 164 VAL 370 1.0462 999.9900 1.1539 999.9900 -.6089 .5304 .2256 .5044 .3882 .4642 165 GLN 371 .7451 .5350 999.9900 1.3059 .5636 .7874 .4690 .5950 .5425 .7023 166 GLY 372 .0328 999.9900 999.9900 999.9900 .6890 .3609 .5060 .6356 .5780 .4659 167 GLN 373 -2.3919 .4898 999.9900 1.3059 -1.2230 -.4548 .4357 .5939 .5280 -.1316 168 ARG 374 -2.9267 .3427 999.9900 .7862 -1.7309 -.5485 .0982 .2529 .1884 -.3416 169 PRO 375 -.3299 999.9900 999.9900 999.9900 .5793 .1247 -.4119 .4200 .0734 .0644 170 GLY 376 .9055 999.9900 999.9900 999.9900 -.1733 .3661 .4390 .6913 .5792 .4656 171 SER 377 -.2734 999.9900 .3727 999.9900 -.0193 .0267 .1313 .4047 .2908 .1232 172 PRO 378 -.3299 999.9900 999.9900 999.9900 -.5244 -.4272 .4865 .4901 .4886 .0306 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.1261 .1443 .3164 .6148 .4904 .2514 174 GLU 380 .8733 -.2267 999.9900 .3501 -.3984 .1496 .4667 .5221 .4990 .2645 175 ALA 381 .6648 999.9900 999.9900 999.9900 .6708 .6678 .6946 .6466 .6666 .6692 176 ALA 382 .5799 999.9900 999.9900 999.9900 .6708 .6254 -.0929 .5341 .2728 .4230 177 ALA 383 .7636 999.9900 999.9900 999.9900 .2671 .5153 .3481 .3952 .3756 .4435 178 LEU 384 .8442 -3.3760 999.9900 999.9900 -.3982 -.9766 .2299 -1.2790 -.6503 -.7958 179 VAL 385 .5660 999.9900 -1.0788 999.9900 -.5257 -.3462 .6069 .2701 .4104 -.0323 180 ASP 386 1.0149 -2.4630 999.9900 999.9900 .7866 -.2205 .6541 .6057 .6259 .1197 181 GLY 387 -.5009 999.9900 999.9900 999.9900 .8277 .1634 .6692 .6771 .6736 .4183 182 LEU 388 -.3493 .8730 999.9900 999.9900 -.0758 .1493 .5844 .6468 .6208 .3358 183 ARG 389 -.1045 1.0644 999.9900 .5548 .0662 .4271 .3367 .4281 .3900 .4144 184 ARG 390 -2.9267 -2.8571 999.9900 .1593 .5640 -.9802 -.8007 -.4076 -.5714 -.8728 185 GLU 391 -.4269 -.1645 999.9900 -1.0323 .2101 -.3534 .3430 .4528 .4070 -.1030 186 PRO 392 -2.8996 999.9900 999.9900 999.9900 .6188 -1.1404 .2748 .4751 .3917 -.3827 187 GLY 393 -.6631 999.9900 999.9900 999.9900 .6890 .0130 -.5001 .6024 .1124 .0321 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.1907 -.0364 -.6135 -.6135 Means: .1072 -.0396 -.0356 .3857 .0616 .1036 .2805 .3762 .3361 .1903 2.00 refined_17