1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .7070 .7056 .7063 .7467 2 SER 2 -1.6828 999.9900 -.7153 999.9900 .6705 -.5759 .7059 .7034 .7045 -.0637 3 ASP 3 -.2689 -2.8653 999.9900 999.9900 .8104 -.7746 .7063 .6555 .6767 -.1924 4 PRO 4 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7065 .6265 .6598 .4168 5 GLY 5 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .7068 .6556 .6783 .3028 6 PRO 6 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7058 .6050 .6470 .3388 7 GLU 7 .8733 -.8493 999.9900 -1.0323 .6899 -.0796 .7059 .7032 .7044 .1818 8 ALA 8 .6496 999.9900 999.9900 999.9900 .7458 .6977 .7067 .7058 .7061 .7020 9 ALA 9 .7636 999.9900 999.9900 999.9900 .8416 .8026 .7067 .7050 .7057 .7542 10 ARG 10 .6041 .2312 999.9900 .1593 .8581 .4024 .7054 .7033 .7042 .4887 11 LEU 11 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .7062 .7027 .7042 -.0385 12 ARG 12 -.1386 -.4762 999.9900 .1593 .8581 .1124 .7061 .7028 .7042 .2815 13 PHE 13 1.2168 -.9296 999.9900 999.9900 .8629 .3833 .7066 .7031 .7046 .5120 14 ARG 14 .2784 -1.6149 999.9900 .1593 .8581 -.0319 .7059 .7025 .7039 .1784 15 CYS 15 .1379 999.9900 .1296 999.9900 .4013 .2229 .7067 .7041 .7052 .4159 16 PHE 16 -.8057 -.4798 999.9900 999.9900 .7573 -.1760 .7064 .7035 .7047 .1764 17 HIS 17 -.1228 -2.4183 999.9900 999.9900 .5967 -.6481 .7052 .7034 .7041 -.1072 18 TYR 18 -.1387 -.3119 999.9900 999.9900 .5630 .0374 .7062 .7040 .7049 .3045 19 GLU 19 -1.0962 -1.4588 999.9900 1.7325 .6899 -.0331 .7057 .7038 .7046 .2128 20 GLU 20 .0468 .6303 999.9900 -1.0323 1.0761 .1802 .7063 .7030 .7044 .3550 21 ALA 21 .5799 999.9900 999.9900 999.9900 .8416 .7108 .7065 .7054 .7059 .7084 22 THR 22 -.2485 999.9900 -.8810 999.9900 .4476 -.2273 .7065 .7059 .7061 .1461 23 GLY 23 -1.5291 999.9900 999.9900 999.9900 .8277 -.3507 .7063 .6590 .6800 .1660 24 PRO 24 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7066 .6202 .6562 .3428 25 GLN 25 1.0064 .2375 999.9900 1.3059 .5113 .7653 .7065 .7035 .7047 .7452 26 GLU 26 .5470 -1.4588 999.9900 1.7325 1.0761 .4742 .7065 .7027 .7043 .5510 27 ALA 27 .1446 999.9900 999.9900 999.9900 .7458 .4452 .7067 .7053 .7059 .5756 28 LEU 28 .8182 .5655 999.9900 999.9900 .8331 .7389 .7064 .7022 .7040 .7251 29 ALA 29 .5799 999.9900 999.9900 999.9900 .7458 .6629 .7066 .7054 .7059 .6844 30 GLN 30 .1338 -1.9601 999.9900 2.7911 .5113 .3690 .7067 .7036 .7049 .4811 31 LEU 31 .6296 -.1732 999.9900 999.9900 .9565 .4710 .7065 .7031 .7045 .5645 32 ARG 32 .9556 -.4122 999.9900 .5548 .8581 .5022 .7056 .7027 .7039 .5599 33 GLU 33 .7157 -.7564 999.9900 .3501 .6899 .2498 .7059 .7021 .7037 .4012 34 LEU 34 1.1349 .5521 999.9900 999.9900 .9565 .8812 .7046 .7031 .7037 .8102 35 CYS 35 1.4696 999.9900 .1296 999.9900 .4013 .6668 .7066 .7042 .7052 .6822 36 ARG 36 .9556 -2.3766 999.9900 .1593 .6728 -.0859 .7070 .7032 .7048 .1401 37 GLN 37 .0311 -2.6982 999.9900 1.3059 .5113 -.2125 .7062 .7037 .7048 .0933 38 TRP 38 -.4530 -1.6686 999.9900 999.9900 .9378 -.3946 .7067 .7039 .7050 .0454 39 LEU 39 -.8032 -2.9612 999.9900 999.9900 .9565 -.9359 .7063 .7032 .7045 -.2797 40 ARG 40 -2.5097 .4144 999.9900 .1593 .8581 -.1837 .7063 .6549 .6764 .0632 41 PRO 41 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7068 .6082 .6493 .4037 42 GLU 42 -.2127 -1.5476 999.9900 .3501 .6899 -.1801 .7065 .7020 .7039 .1147 43 VAL 43 -2.3613 999.9900 -1.0788 999.9900 .7810 -.8863 .7067 .7059 .7062 -.2493 44 ARG 44 -.7709 -.1044 999.9900 .5548 .6728 .1814 .7062 .7022 .7039 .3308 45 SER 45 -.7998 999.9900 -.7153 999.9900 .6705 -.2816 .7060 .7010 .7031 .1125 46 LYS 46 -.1232 .5211 999.9900 -.0397 .7460 .2129 .7060 .7021 .7037 .3532 47 GLU 47 .5470 -1.3104 999.9900 -1.0323 .6899 -.2765 .7058 .7035 .7045 .0506 48 GLN 48 .1632 .0182 999.9900 1.3059 .5113 .4996 .7068 .7038 .7051 .5682 49 MET 49 .5330 -2.5481 999.9900 .9587 .5203 -.1340 .7056 .7031 .7042 .1454 50 LEU 50 .8182 -2.0611 999.9900 999.9900 .8331 -.1366 .7058 .7027 .7040 .1998 51 GLU 51 .1185 -1.0866 999.9900 .3501 .6899 .0180 .7058 .7034 .7044 .2468 52 LEU 52 .8786 -.0645 999.9900 999.9900 .8331 .5490 .7068 .7030 .7046 .6114 53 LEU 53 .8475 -.6965 999.9900 999.9900 .8331 .3280 .7062 .7024 .7040 .4785 54 VAL 54 .1911 999.9900 .8662 999.9900 .7810 .6128 .7067 .7058 .7062 .6502 55 LEU 55 1.1349 .5315 999.9900 999.9900 .8331 .8332 .7063 .7022 .7039 .7816 56 GLU 56 .7157 -2.8418 999.9900 .3501 .6899 -.2715 .7065 .7032 .7046 .0539 57 GLN 57 .6461 -2.6982 999.9900 1.3059 .7898 .0109 .7067 .7035 .7048 .2423 58 PHE 58 .7853 .6387 999.9900 999.9900 .7573 .7271 .7065 .7026 .7042 .7181 59 LEU 59 .4996 -1.0719 999.9900 999.9900 .9565 .1281 .7051 .7027 .7037 .3584 60 GLY 60 .0328 999.9900 999.9900 999.9900 .7883 .4105 .7070 .7055 .7061 .5584 61 ALA 61 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .7067 .7056 .7060 .4999 62 LEU 62 -2.6981 .3561 999.9900 999.9900 .9565 -.4618 .7064 .6574 .6778 -.0043 63 PRO 63 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .7066 .6435 .6698 .3758 64 PRO 64 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7059 .6058 .6475 .3068 65 GLU 65 -1.3222 -.7281 999.9900 .3501 .6899 -.2526 .7067 .7028 .7044 .0665 66 ILE 66 .6852 .8778 999.9900 999.9900 .6034 .7221 .7070 .7060 .7064 .7159 67 GLN 67 1.0064 .6315 999.9900 1.3059 .5113 .8638 .7069 .7030 .7046 .8108 68 ALA 68 .8001 999.9900 999.9900 999.9900 .7458 .7729 .7054 .7050 .7052 .7391 69 ARG 69 .6323 -.3726 999.9900 .1593 .8581 .2873 .7067 .7030 .7045 .4066 70 VAL 70 .8065 999.9900 .6672 999.9900 .7810 .7516 .7067 .7064 .7065 .7336 71 GLN 71 .7451 -1.6169 999.9900 1.3059 .5113 .2364 .7068 .7041 .7052 .3927 72 GLY 72 -.2551 999.9900 999.9900 999.9900 .8277 .2863 .7064 .7035 .7048 .4956 73 GLN 73 -2.2003 -.9251 999.9900 1.3059 .7898 -.2574 .7070 .7030 .7047 .0634 74 ARG 74 -2.5097 -.2494 999.9900 .1593 .8581 -.3165 .7067 .6514 .6744 -.0320 75 PRO 75 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .7043 .6160 .6528 .1641 76 GLY 76 .1996 999.9900 999.9900 999.9900 .8277 .5136 .7068 .7053 .7059 .6098 77 SER 77 -.4229 999.9900 -.7153 999.9900 .6705 -.1559 .7061 .6523 .6748 .1781 78 PRO 78 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7064 .6068 .6483 -.1384 79 GLU 79 1.0761 .3748 999.9900 -1.0323 .3568 .1938 .7059 .7031 .7043 .3641 80 GLU 80 -.2011 -1.0407 999.9900 .3501 .6899 -.0504 .7068 .7033 .7047 .2014 81 ALA 81 .0579 999.9900 999.9900 999.9900 .7458 .4018 .7070 .7056 .7061 .5540 82 ALA 82 .2107 999.9900 999.9900 999.9900 .7458 .4783 .7067 .7056 .7060 .5922 83 ALA 83 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .7065 .7056 .7060 .4308 84 LEU 84 .9913 -2.9612 999.9900 999.9900 .8331 -.3789 .7063 .7027 .7042 .0544 85 VAL 85 .5660 999.9900 .1416 999.9900 .8960 .5345 .7068 .7061 .7064 .6033 86 ASP 86 1.1285 -1.7105 999.9900 999.9900 .8104 .0762 .7058 .7040 .7048 .3277 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .8277 .2957 .7063 .7052 .7057 .5007 88 LEU 88 -.2311 .6236 999.9900 999.9900 .9565 .4497 .7063 .7031 .7044 .5517 89 ARG 89 -2.0927 -.4122 999.9900 .1593 .8581 -.2656 .7066 .7027 .7043 .0116 90 ARG 90 -2.9267 -1.7413 999.9900 .6901 .8581 -.4859 .7051 .7024 .7035 -.1460 91 GLU 91 -1.8465 -2.3808 999.9900 .3501 .6899 -.7968 .7064 .6543 .6761 -.3044 92 PRO 92 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7067 .6217 .6571 .4156 93 GLY 93 -.8286 999.9900 999.9900 999.9900 .8277 -.0005 .7069 .7054 .7061 .3529 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .7060 .5555 .6415 .6308 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .8897 .8897 .7071 .7055 .7062 .7674 96 SER 302 -1.6828 999.9900 -.7153 999.9900 .7781 -.5400 .7057 .7032 .7043 -.0422 97 ASP 303 -.2689 -2.8653 999.9900 999.9900 .8104 -.7746 .7067 .6558 .6770 -.1923 98 PRO 304 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7046 .6142 .6519 .4132 99 GLY 305 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .7069 .6588 .6802 .3036 100 PRO 306 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7064 .6052 .6474 .3390 101 GLU 307 .8733 -.8493 999.9900 -1.0323 .6899 -.0796 .7068 .7025 .7043 .1818 102 ALA 308 .6496 999.9900 999.9900 999.9900 .7458 .6977 .7068 .7052 .7058 .7018 103 ALA 309 .7636 999.9900 999.9900 999.9900 .8416 .8026 .7061 .7056 .7058 .7542 104 ARG 310 .6041 .2312 999.9900 1.0005 .8581 .7389 .7062 .7031 .7044 .7291 105 LEU 311 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .7061 .7026 .7041 -.0385 106 ARG 312 -.1386 .3891 999.9900 .1593 .8581 .2855 .7047 .7025 .7034 .4049 107 PHE 313 1.2168 -.9296 999.9900 999.9900 .8629 .3833 .7068 .7035 .7049 .5121 108 ARG 314 .2784 -1.8960 999.9900 .5548 .8581 .0700 .7064 .7023 .7040 .2513 109 CYS 315 .1379 999.9900 .1296 999.9900 .4013 .2229 .7061 .7035 .7046 .4157 110 PHE 316 -.4296 .5389 999.9900 999.9900 .7573 .2889 .7061 .7025 .7040 .4550 111 HIS 317 -.2420 -2.4183 999.9900 999.9900 .5967 -.6879 .7067 .7032 .7047 -.1307 112 TYR 318 -.1387 -.3119 999.9900 999.9900 .5630 .0374 .7057 .7036 .7045 .3043 113 GLU 319 -1.0962 -1.4588 999.9900 1.1588 .3568 -.2599 .7066 .7032 .7046 .0617 114 GLU 320 .0468 .6303 999.9900 -1.0323 .6899 .0837 .7070 .7037 .7051 .2909 115 ALA 321 .5799 999.9900 999.9900 999.9900 .7458 .6629 .7062 .7041 .7050 .6840 116 THR 322 -.2485 999.9900 -.8810 999.9900 .4476 -.2273 .7067 .7061 .7063 .1462 117 GLY 323 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .7066 .6587 .6800 .1561 118 PRO 324 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7061 .6081 .6489 .3396 119 GLN 325 .8469 .2375 999.9900 1.3059 .7898 .7950 .7065 .7028 .7044 .7649 120 GLU 326 .5470 -1.4588 999.9900 -1.0323 .6899 -.3136 .7061 .7027 .7041 .0258 121 ALA 327 .1446 999.9900 999.9900 999.9900 .7458 .4452 .7042 .7058 .7051 .5751 122 LEU 328 .8182 .1975 999.9900 999.9900 .8331 .6163 .7069 .7032 .7047 .6518 123 ALA 329 .5799 999.9900 999.9900 999.9900 .8416 .7108 .7067 .7054 .7060 .7084 124 GLN 330 .1338 -2.6982 999.9900 1.3059 .5113 -.1868 .7058 .7034 .7044 .1103 125 LEU 331 .6296 -.1732 999.9900 999.9900 .9565 .4710 .7056 .7024 .7037 .5642 126 ARG 332 .9556 -.4122 999.9900 .5548 .8581 .5022 .7059 .7037 .7046 .5601 127 GLU 333 .8733 -.7564 999.9900 .3501 .6899 .2892 .7062 .7027 .7042 .4276 128 LEU 334 1.1349 -.0645 999.9900 999.9900 .9565 .6756 .7055 .7027 .7038 .6870 129 CYS 335 1.4696 999.9900 .1296 999.9900 .4013 .6668 .7057 .7039 .7046 .6820 130 ARG 336 .9556 -2.3766 999.9900 .1593 .8581 -.0488 .7066 .7021 .7040 .1664 131 GLN 337 -.1264 -2.6982 999.9900 1.3059 .5113 -.2518 .7065 .7034 .7047 .0671 132 TRP 338 -.4530 -1.6686 999.9900 999.9900 .9378 -.3946 .7066 .7041 .7051 .0454 133 LEU 339 -.8032 -2.9612 999.9900 999.9900 .9565 -.9359 .7064 .7031 .7045 -.2797 134 ARG 340 -2.5097 .4144 999.9900 .6901 .8581 .0286 .7066 .6617 .6804 .2159 135 PRO 341 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7066 .6109 .6508 .4044 136 GLU 342 -.1289 -1.5476 999.9900 .3501 .6899 -.1591 .7064 .7021 .7039 .1287 137 VAL 343 -2.3613 999.9900 -1.0788 999.9900 .7810 -.8863 .7065 .7059 .7062 -.2493 138 ARG 344 -1.0405 -.1044 999.9900 .1593 .5640 -.0524 .7067 .7022 .7041 .1638 139 SER 345 -.5560 999.9900 -.7153 999.9900 .6705 -.2003 .7067 .7017 .7037 .1615 140 LYS 346 -.1232 -2.9005 999.9900 -.4035 .7460 -.6169 .7066 .7027 .7043 -.2393 141 GLU 347 .5470 -1.3104 999.9900 -1.0323 .6899 -.2765 .7068 .7031 .7046 .0507 142 GLN 348 .7451 .0182 999.9900 1.3059 .5113 .6451 .7070 .7031 .7047 .6651 143 MET 349 .8064 -1.7864 999.9900 .9587 .5203 .1247 .7052 .7033 .7041 .3179 144 LEU 350 .8182 -2.0611 999.9900 999.9900 .9565 -.0954 .7064 .7032 .7045 .2246 145 GLU 351 .7157 -1.0866 999.9900 .3501 .6899 .1673 .7061 .7034 .7045 .3464 146 LEU 352 .8786 -.0645 999.9900 999.9900 .8331 .5490 .7055 .7029 .7040 .6111 147 LEU 353 .8475 -.6965 999.9900 999.9900 .8331 .3280 .7062 .7025 .7040 .4785 148 VAL 354 .1911 999.9900 .4980 999.9900 .7810 .4900 .7058 .7061 .7060 .5764 149 LEU 355 1.1349 .5315 999.9900 999.9900 .9565 .8743 .7064 .7027 .7043 .8064 150 GLU 356 .7157 -2.8418 999.9900 -1.0323 .6899 -.6171 .7063 .7029 .7043 -.1766 151 GLN 357 .9013 -2.6982 999.9900 1.3059 .7898 .0747 .7070 .7040 .7053 .2850 152 PHE 358 .7853 .6387 999.9900 999.9900 .7573 .7271 .7063 .7029 .7043 .7181 153 LEU 359 .4996 .8710 999.9900 999.9900 .8331 .7346 .7060 .7022 .7038 .7224 154 GLY 360 .0328 999.9900 999.9900 999.9900 .7883 .4105 .7058 .7053 .7055 .5581 155 ALA 361 -.8167 999.9900 999.9900 999.9900 .7458 -.0354 .7059 .7053 .7056 .3351 156 LEU 362 -2.6981 .6031 999.9900 999.9900 .8331 -.4206 .7068 .6552 .6767 .0200 157 PRO 363 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .7066 .6420 .6689 .3754 158 PRO 364 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7063 .6080 .6490 .3074 159 GLU 365 -1.3222 -.7281 999.9900 -1.0323 .6899 -.5982 .7063 .7035 .7047 -.1638 160 ILE 366 .6852 .8778 999.9900 999.9900 .6034 .7221 .7067 .7064 .7065 .7159 161 GLN 367 1.0064 .6315 999.9900 1.3059 .5113 .8638 .7070 .7034 .7049 .8109 162 ALA 368 .8001 999.9900 999.9900 999.9900 .7458 .7729 .7068 .7050 .7057 .7394 163 ARG 369 .6323 -.3726 999.9900 .1593 .8581 .2873 .7061 .7027 .7041 .4065 164 VAL 370 .8065 999.9900 .7395 999.9900 .7810 .7757 .7065 .7063 .7064 .7480 165 GLN 371 .7451 -1.6169 999.9900 1.3059 .5113 .2364 .7056 .7047 .7051 .3926 166 GLY 372 -.2551 999.9900 999.9900 999.9900 .8277 .2863 .7066 .7054 .7059 .4961 167 GLN 373 -2.2003 -.9251 999.9900 1.3059 .7898 -.2574 .7067 .7042 .7052 .0635 168 ARG 374 -2.5097 -.2494 999.9900 .1593 .8581 -.3165 .7067 .6574 .6779 -.0312 169 PRO 375 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .7064 .6125 .6516 .1637 170 GLY 376 .1996 999.9900 999.9900 999.9900 .8277 .5136 .7065 .7052 .7058 .6097 171 SER 377 -.4229 999.9900 -.0289 999.9900 .6705 .0729 .7064 .6502 .6736 .3151 172 PRO 378 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7058 .6085 .6490 -.1381 173 GLU 379 .8733 .3748 999.9900 -1.0323 .6899 .2264 .7062 .7027 .7042 .3858 174 GLU 380 -.2011 -1.0407 999.9900 -1.0323 .6899 -.3961 .7062 .7030 .7043 -.0292 175 ALA 381 .0579 999.9900 999.9900 999.9900 .7458 .4018 .7062 .7056 .7058 .5539 176 ALA 382 .2107 999.9900 999.9900 999.9900 .7458 .4783 .7064 .7060 .7062 .5922 177 ALA 383 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .7065 .7055 .7059 .4308 178 LEU 384 .9913 -2.9612 999.9900 999.9900 .8331 -.3789 .7068 .7024 .7043 .0545 179 VAL 385 .5660 999.9900 -.5532 999.9900 .7810 .2646 .7062 .7062 .7062 .4413 180 ASP 386 1.1285 -1.7105 999.9900 999.9900 .8104 .0762 .7047 .7037 .7041 .3274 181 GLY 387 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .7052 .7057 .7055 .4907 182 LEU 388 -.2311 .3561 999.9900 999.9900 .9565 .3605 .7069 .7038 .7051 .4985 183 ARG 389 -2.0927 -.4122 999.9900 .1593 .6728 -.3027 .7060 .7031 .7043 -.0149 184 ARG 390 -2.9267 -1.7413 999.9900 .6901 .8581 -.4859 .7066 .7027 .7043 -.1458 185 GLU 391 -1.8465 -2.3808 999.9900 -1.0323 .6899 -1.1424 .7063 .6576 .6779 -.5343 186 PRO 392 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7052 .6148 .6524 .4135 187 GLY 393 -.8286 999.9900 999.9900 999.9900 .8277 -.0005 .7065 .7057 .7061 .3528 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .7070 .7044 .7057 .7057 Means: -.0697 -.9400 -.2324 .3604 .7227 .0755 .7063 .6907 .6973 .3169 2.00 analyzed_3