1 MET 999.900 .268 .604 .849 999.900 .700 15.032 16.800 999.90 -.56 999.90 -.56 2 GLY .490 .735 999.900 999.900 .594 999.900 12.831 .000 -1.68 999.90 999.90 -1.68 3 HIS .566 .451 .507 .723 .505 .600 10.845 11.343 -1.40 -.03 999.90 -.72 4 HIS .118 .523 .738 .776 .291 .756 9.265 10.544 -.94 -.15 999.90 -.54 5 HIS .581 .313 .824 .719 .431 .766 7.652 8.731 -1.76 -.12 999.90 -.94 6 HIS .300 .299 .583 .620 .299 .602 6.335 8.017 -1.17 -.18 999.90 -.67 7 HIS .407 .270 .825 .729 .335 .772 5.620 6.868 -1.19 -.16 999.90 -.68 8 HIS .343 .303 .947 .754 .322 .822 5.070 6.241 -1.40 -.12 999.90 -.76 9 LEU .565 .263 .652 .478 .395 .556 4.705 6.192 -1.98 -.96 999.90 -1.47 10 GLU .227 .380 .550 .571 .299 .560 4.374 6.001 -1.41 -.19 999.90 -.80 11 MET .276 .233 .734 .496 .254 .597 3.965 5.557 -1.38 -.07 999.90 -.73 12 ALA .347 .202 999.900 999.900 .271 999.900 4.063 4.863 -1.93 999.90 999.90 -1.93 13 SER .130 .199 .548 999.900 .164 999.900 3.431 4.117 -1.17 999.90 .13 -.52 14 GLU .123 .494 .327 .506 .284 .410 3.605 4.643 -1.83 .20 999.90 -.81 15 GLU .472 .089 .767 .921 .255 .826 3.082 4.060 -1.87 -.71 999.90 -1.29 16 GLY .008 .009 999.900 999.900 .008 999.900 2.851 .000 .78 999.90 999.90 .78 17 GLN .064 .021 .067 .291 .043 .171 2.521 3.504 -.39 -.90 999.90 -.65 18 VAL .002 .010 .465 999.900 .006 999.900 2.092 1.966 .23 999.90 -.41 -.09 19 ILE .012 .006 .002 .514 .009 .215 1.865 2.264 -.34 -.38 999.90 -.36 20 ALA .004 .004 999.900 999.900 .004 999.900 1.986 1.980 -1.31 999.90 999.90 -1.31 21 CYS .007 .010 .000 999.900 .009 999.900 1.935 1.787 .08 999.90 .36 .22 22 HIS .008 .004 .001 .010 .006 .005 2.419 2.675 -.47 .43 999.90 -.02 23 THR .002 .003 .058 999.900 .003 999.900 2.350 2.853 .15 999.90 .13 .14 24 VAL .001 .003 .453 999.900 .002 999.900 2.304 2.570 -.07 999.90 -.36 -.21 25 GLU .002 .000 .316 .561 .001 .425 2.544 3.231 .58 .23 999.90 .41 26 THR .002 .003 .001 999.900 .002 999.900 2.341 2.572 1.07 999.90 .35 .71 27 TRP .001 .001 .002 .001 .001 .002 1.905 1.430 .45 .17 999.90 .31 28 ASN .001 .002 .001 .356 .002 .160 2.138 2.515 1.22 -.13 999.90 .54 29 GLU .002 .001 .001 .376 .001 .167 2.382 3.005 .83 .45 999.90 .64 30 GLN .002 .001 .009 .128 .002 .067 2.115 2.491 1.04 .11 999.90 .58 31 LEU .001 .001 .000 .000 .001 .000 1.926 1.652 .98 .88 999.90 .93 32 GLN .001 .003 .265 .445 .002 .349 2.265 3.059 1.07 .22 999.90 .65 33 LYS .002 .003 .136 .333 .002 .228 2.434 3.072 1.06 .31 999.90 .68 34 ALA .001 .001 999.900 999.900 .001 999.900 2.223 2.007 .72 999.90 999.90 .72 35 ASN .003 .000 .002 .611 .001 .243 2.313 2.370 .11 -.46 999.90 -.17 36 GLU .003 .004 .199 .526 .004 .342 2.738 3.549 .87 .09 999.90 .48 37 SER .002 .005 .074 999.900 .004 999.900 2.850 2.980 .10 999.90 -.09 .00 38 LYS .003 .012 .274 .012 .008 .133 2.673 3.347 -1.15 .62 999.90 -.26 39 THR .020 .000 .000 999.900 .010 999.900 2.305 2.637 -.39 999.90 -.16 -.27 40 LEU .005 .006 .213 .280 .005 .246 1.952 2.252 -.21 -1.49 999.90 -.85 41 VAL .000 .003 .000 999.900 .002 999.900 1.434 1.445 .28 999.90 -1.05 -.39 42 VAL .003 .003 .212 999.900 .003 999.900 1.103 1.382 .43 999.90 .32 .38 43 VAL .004 .006 .001 999.900 .005 999.900 .645 .780 .37 999.90 .23 .30 44 ASP .008 .007 .003 .695 .008 .263 .645 1.111 -.25 -1.70 999.90 -.97 45 PHE .007 .000 .001 .399 .004 .175 .870 1.255 -.29 .66 999.90 .19 46 THR .009 .023 .385 999.900 .016 999.900 1.400 1.679 -.74 999.90 -.48 -.61 47 ALA .020 .009 999.900 999.900 .014 999.900 1.842 2.014 -.78 999.90 999.90 -.78 48 SER .005 .006 .492 999.900 .005 999.900 2.231 2.512 .75 999.90 -.14 .31 49 TRP .005 .005 .002 .203 .005 .097 2.377 2.600 -.87 -.56 999.90 -.71 50 CYS .006 .002 .366 .297 .004 .331 2.044 1.958 .08 -1.71 999.90 -.81 51 GLY .012 .001 999.900 999.900 .007 999.900 1.834 .000 -1.30 999.90 999.90 -1.30 52 PRO .001 .000 999.900 999.900 .000 999.900 1.541 1.738 .55 999.90 999.90 .55 53 CYS .001 .001 .072 .173 .001 .121 1.490 1.768 1.15 -1.50 999.90 -.18 54 ARG .004 .002 .002 .424 .003 .185 1.660 3.129 .71 .08 999.90 .39 55 PHE .004 .003 .001 .200 .003 .095 1.556 1.968 .70 .54 999.90 .62 56 ILE .001 .004 .001 .088 .002 .043 1.336 1.194 -1.38 -1.18 999.90 -1.28 57 ALA .002 .001 999.900 999.900 .001 999.900 1.560 1.619 .49 999.90 999.90 .49 58 PRO .002 .002 999.900 999.900 .002 999.900 1.989 2.061 .47 999.90 999.90 .47 59 PHE .003 .004 .001 .298 .003 .137 1.810 2.126 .61 .46 999.90 .53 60 PHE .002 .000 .001 .002 .001 .002 1.552 1.384 .75 .63 999.90 .69 61 ALA .001 .001 999.900 999.900 .001 999.900 2.061 2.092 .54 999.90 999.90 .54 62 ASP .002 .001 .003 .210 .002 .101 2.359 2.795 .92 -.79 999.90 .06 63 LEU .001 .002 .114 .364 .002 .229 2.144 1.983 .82 .32 999.90 .57 64 ALA .001 .001 999.900 999.900 .001 999.900 2.323 2.102 .79 999.90 999.90 .79 65 LYS .002 .006 .284 .231 .004 .257 2.869 3.518 .18 .18 999.90 .18 66 LYS .006 .003 .411 .506 .005 .456 2.869 3.564 .24 .12 999.90 .18 67 LEU .023 .045 .001 .374 .034 .167 2.713 2.613 -1.12 .15 999.90 -.49 68 PRO .015 .087 999.900 999.900 .050 999.900 3.144 3.421 -1.54 999.90 999.90 -1.54 69 ASN .105 .199 .293 .673 .151 .449 2.962 4.059 -.55 -.16 999.90 -.36 70 VAL .045 .000 .069 999.900 .022 999.900 2.350 2.155 .09 999.90 .50 .30 71 LEU .005 .007 .369 .657 .006 .492 1.860 2.453 -.18 -.24 999.90 -.21 72 PHE .006 .002 .001 .003 .004 .002 1.643 1.988 .10 .37 999.90 .23 73 LEU .003 .005 .002 .290 .004 .134 1.222 1.543 -.50 -.67 999.90 -.59 74 LYS .006 .003 .280 .786 .005 .469 1.316 1.848 -.59 -.63 999.90 -.61 75 VAL .010 .005 .000 999.900 .007 999.900 1.242 1.206 .34 999.90 .60 .47 76 ASP .004 .009 .058 .291 .007 .166 1.754 2.283 -.12 -1.20 999.90 -.66 77 THR .000 .002 .144 999.900 .001 999.900 2.062 1.870 .02 999.90 -.33 -.15 78 ASP .002 .001 .005 .501 .001 .213 2.659 3.197 .39 -.92 999.90 -.27 79 GLU .005 .003 .298 .711 .004 .463 2.647 3.088 -1.25 .36 999.90 -.44 80 LEU .005 .017 .064 .905 .011 .335 2.260 2.307 -2.18 -.65 999.90 -1.41 81 LYS .001 .003 .600 .280 .002 .418 2.518 3.982 .81 .40 999.90 .60 82 SER .002 .002 .394 999.900 .002 999.900 2.559 2.876 1.03 999.90 .05 .54 83 VAL .002 .001 .001 999.900 .001 999.900 2.069 1.926 .89 999.90 .63 .76 84 ALA .000 .003 999.900 999.900 .002 999.900 2.090 2.052 .84 999.90 999.90 .84 85 SER .004 .004 .472 999.900 .004 999.900 2.562 3.009 .99 999.90 -.16 .41 86 ASP .003 .000 .001 .201 .001 .095 2.388 2.557 1.14 -.63 999.90 .25 87 TRP .002 .006 .001 .010 .004 .006 2.021 1.656 -1.01 .79 999.90 -.11 88 ALA .002 .073 999.900 999.900 .037 999.900 2.321 2.629 -2.36 999.90 999.90 -2.36 89 ILE .033 .005 .001 .456 .019 .195 2.176 1.671 -1.62 .13 999.90 -.74 90 GLN .016 .008 .402 .507 .012 .452 2.420 3.670 -1.14 .30 999.90 -.42 91 ALA .025 .026 999.900 999.900 .026 999.900 2.011 2.278 -.98 999.90 999.90 -.98 92 MET .024 .003 .002 .065 .013 .033 1.660 1.975 -.30 .66 999.90 .18 93 PRO .001 .000 999.900 999.900 .001 999.900 1.107 1.120 -1.24 999.90 999.90 -1.24 94 THR .004 .000 .001 999.900 .002 999.900 .753 1.126 .47 999.90 .63 .55 95 PHE .000 .004 .004 .793 .002 .280 .742 1.108 -.20 .33 999.90 .06 96 MET .006 .000 .003 .381 .003 .170 .766 1.502 -.42 .22 999.90 -.10 97 PHE .003 .000 .001 .003 .001 .002 1.219 1.598 -.26 .39 999.90 .07 98 LEU .006 .002 .358 .336 .004 .347 1.466 1.530 -1.03 -2.16 999.90 -1.60 99 LYS .000 .001 .002 .002 .001 .002 1.902 2.618 -.59 .58 999.90 .00 100 GLU .001 .002 .001 .005 .001 .003 2.095 2.797 -1.54 .81 999.90 -.36 101 GLY .000 .003 999.900 999.900 .001 999.900 1.810 .000 .91 999.90 999.90 .91 102 LYS .004 .002 .481 .329 .003 .400 1.747 2.799 -.30 .36 999.90 .03 103 ILE .002 .002 .004 .280 .002 .131 1.729 1.688 -.82 .33 999.90 -.24 104 LEU .007 .009 .066 .076 .008 .071 1.912 2.185 -2.71 .68 999.90 -1.02 105 ASP .008 .000 .473 .819 .004 .606 1.567 2.297 -.76 -1.83 999.90 -1.29 106 LYS .009 .018 .477 .404 .013 .439 1.480 2.108 -.39 -.37 999.90 -.38 107 VAL .004 .005 .073 999.900 .005 999.900 1.205 1.375 .33 999.90 .43 .38 108 VAL .003 .010 .001 999.900 .006 999.900 1.451 1.790 .17 999.90 -1.03 -.43 109 GLY .004 .006 999.900 999.900 .005 999.900 1.316 .000 -.72 999.90 999.90 -.72 110 ALA .020 .000 999.900 999.900 .010 999.900 1.403 1.322 -1.65 999.90 999.90 -1.65 111 LYS .001 .004 .071 .289 .003 .173 1.541 2.547 -.83 .78 999.90 -.02 112 LYS .006 .002 .248 .192 .004 .220 1.851 2.749 .87 .47 999.90 .67 113 ASP .001 .004 .300 .491 .003 .388 2.282 3.080 .95 -.91 999.90 .02 114 GLU .002 .002 .198 .830 .002 .420 2.088 2.719 .80 -.13 999.90 .34 115 LEU .000 .002 .000 .000 .001 .000 1.797 1.380 .92 .32 999.90 .62 116 GLN .001 .002 .225 .543 .002 .364 2.252 2.674 .91 .29 999.90 .60 117 SER .000 .001 .504 999.900 .001 999.900 2.456 2.762 1.09 999.90 -.17 .46 118 THR .002 .001 .001 999.900 .001 999.900 2.133 1.827 .87 999.90 .39 .63 119 ILE .001 .002 .000 .518 .001 .215 2.407 2.298 .99 .39 999.90 .69 120 ALA .001 .000 999.900 999.900 .000 999.900 2.980 3.098 .79 999.90 999.90 .79 121 LYS .002 .003 .109 .004 .002 .055 2.902 2.922 1.02 .78 999.90 .90 122 HIS .005 .024 .001 .009 .014 .005 2.920 2.104 -.13 .59 999.90 .23 123 LEU .010 .048 .254 .582 .029 .395 3.521 4.074 -1.33 -1.47 999.90 -1.40 124 ALA .047 999.900 999.900 999.900 999.900 999.900 4.338 4.509 999.90 999.90 999.90 .00