1 MET 999.900 .337 .601 .550 999.900 .575 16.978 18.136 999.90 -.67 999.90 -.67 2 GLY .671 .542 999.900 999.900 .601 999.900 15.236 .000 -1.63 999.90 999.90 -1.63 3 HIS .493 .114 .749 .640 .278 .690 13.305 14.144 -1.57 -.10 999.90 -.84 4 HIS .115 .247 .737 .561 .179 .638 11.817 13.172 -.88 -.15 999.90 -.51 5 HIS .203 .543 .725 .702 .350 .713 10.349 11.326 -1.37 -.07 999.90 -.72 6 HIS .244 .145 .558 .744 .193 .639 8.658 9.734 -1.20 -.14 999.90 -.67 7 HIS .374 .307 .577 .615 .339 .595 7.196 8.406 -1.59 -.21 999.90 -.90 8 HIS .374 .188 .884 .740 .275 .799 5.687 7.566 -1.39 -.31 999.90 -.85 9 LEU .112 .397 .644 .412 .241 .514 4.623 6.113 -1.41 -.47 999.90 -.94 10 GLU .276 .260 .646 .575 .268 .609 3.832 5.697 -1.17 .09 999.90 -.54 11 MET .482 .194 .751 .536 .323 .627 3.296 5.457 -1.42 -.52 999.90 -.97 12 ALA .260 .255 999.900 999.900 .258 999.900 3.301 3.899 -1.66 999.90 999.90 -1.66 13 SER .455 .208 .485 999.900 .320 999.900 3.473 4.770 -1.76 999.90 -.21 -.98 14 GLU .085 .587 .390 .622 .290 .492 3.376 4.391 -1.72 -.15 999.90 -.93 15 GLU .562 .046 .559 .601 .258 .579 3.007 4.161 -1.48 -.62 999.90 -1.05 16 GLY .008 .006 999.900 999.900 .007 999.900 2.693 .000 .86 999.90 999.90 .86 17 GLN .065 .022 .140 .404 .043 .260 2.415 3.395 -.33 -.94 999.90 -.64 18 VAL .002 .010 .270 999.900 .006 999.900 2.058 2.039 .32 999.90 .10 .21 19 ILE .003 .000 .001 .675 .002 .257 1.795 2.116 -.46 -1.35 999.90 -.91 20 ALA .004 .001 999.900 999.900 .003 999.900 1.800 1.863 -1.52 999.90 999.90 -1.52 21 CYS .003 .013 .112 999.900 .008 999.900 1.652 1.632 .12 999.90 .37 .24 22 HIS .008 .003 .001 .012 .005 .007 1.878 2.062 -.62 .70 999.90 .04 23 THR .004 .005 .102 999.900 .005 999.900 1.846 2.233 .11 999.90 .08 .10 24 VAL .001 .001 .280 999.900 .001 999.900 1.871 2.146 -.30 999.90 -.81 -.55 25 GLU .002 .000 .357 .713 .001 .502 2.126 3.350 .66 -.09 999.90 .29 26 THR .002 .001 .001 999.900 .001 999.900 1.936 2.119 1.13 999.90 .30 .72 27 TRP .001 .001 .001 .005 .001 .003 1.551 1.191 .56 .25 999.90 .41 28 ASN .001 .001 .001 .340 .001 .153 1.874 2.310 1.18 .03 999.90 .61 29 GLU .001 .001 .003 .344 .001 .156 2.098 2.969 .79 .35 999.90 .57 30 GLN .003 .002 .007 .131 .002 .066 1.842 2.154 1.04 .10 999.90 .57 31 LEU .000 .001 .000 .000 .001 .000 1.778 1.511 .95 .88 999.90 .92 32 GLN .001 .003 .300 .537 .002 .406 2.162 3.114 1.05 .43 999.90 .74 33 LYS .002 .001 .064 .414 .002 .220 2.283 3.089 1.08 .13 999.90 .60 34 ALA .002 .003 999.900 999.900 .002 999.900 2.083 1.811 .76 999.90 999.90 .76 35 ASN .003 .000 .002 .400 .002 .176 2.290 2.371 .20 -.20 999.90 .00 36 GLU .001 .001 .192 .340 .001 .262 2.757 3.291 .95 .37 999.90 .66 37 SER .003 .005 .074 999.900 .004 999.900 2.756 2.897 .11 999.90 -.14 -.02 38 LYS .002 .012 .067 .001 .007 .033 2.401 3.351 -1.09 1.14 999.90 .02 39 THR .010 .000 .001 999.900 .005 999.900 2.015 2.298 -.48 999.90 -.42 -.45 40 LEU .003 .006 .076 .221 .005 .145 1.682 1.738 -.22 -1.32 999.90 -.77 41 VAL .000 .002 .000 999.900 .001 999.900 1.230 1.280 .23 999.90 -1.03 -.40 42 VAL .003 .003 .269 999.900 .003 999.900 1.039 1.349 .42 999.90 .19 .30 43 VAL .004 .004 .001 999.900 .004 999.900 .792 .878 .43 999.90 .36 .39 44 ASP .003 .006 .061 .592 .004 .276 .946 1.629 -.18 -1.36 999.90 -.77 45 PHE .006 .000 .000 .798 .003 .279 1.103 1.351 -.32 .42 999.90 .05 46 THR .014 .009 .133 999.900 .012 999.900 1.411 1.639 -1.02 999.90 -.64 -.83 47 ALA .017 .010 999.900 999.900 .013 999.900 1.711 1.873 -.79 999.90 999.90 -.79 48 SER .005 .003 .583 999.900 .004 999.900 2.168 2.576 .70 999.90 -.04 .33 49 TRP .005 .006 .001 .005 .005 .003 2.411 2.523 -.99 -.35 999.90 -.67 50 CYS .003 .009 .296 .283 .006 .290 2.197 2.096 .06 -1.00 999.90 -.47 51 GLY .020 .002 999.900 999.900 .011 999.900 2.271 .000 -1.55 999.90 999.90 -1.55 52 PRO .001 .001 999.900 999.900 .001 999.900 2.078 2.310 .59 999.90 999.90 .59 53 CYS .001 .002 .067 .159 .002 .112 1.799 1.755 1.24 -1.72 999.90 -.24 54 ARG .004 .002 .004 .378 .003 .170 2.028 3.563 .52 -.12 999.90 .20 55 PHE .004 .002 .001 .002 .003 .001 2.152 2.654 .48 .76 999.90 .62 56 ILE .000 .004 .001 .000 .002 .000 1.911 1.786 -1.36 -1.07 999.90 -1.21 57 ALA .002 .001 999.900 999.900 .002 999.900 1.974 1.982 .54 999.90 999.90 .54 58 PRO .003 .003 999.900 999.900 .003 999.900 2.322 2.471 .47 999.90 999.90 .47 59 PHE .002 .002 .003 .395 .002 .175 2.125 2.420 .60 .37 999.90 .49 60 PHE .001 .000 .001 .002 .001 .002 1.832 1.595 .70 .59 999.90 .64 61 ALA .001 .001 999.900 999.900 .001 999.900 2.208 2.287 .61 999.90 999.90 .61 62 ASP .002 .003 .001 .105 .002 .052 2.371 2.746 .96 -.63 999.90 .16 63 LEU .001 .002 .232 .277 .002 .254 2.060 2.082 .88 .16 999.90 .52 64 ALA .001 .000 999.900 999.900 .001 999.900 2.229 2.119 .77 999.90 999.90 .77 65 LYS .004 .004 .078 .122 .004 .100 2.692 3.690 .25 .36 999.90 .31 66 LYS .017 .021 .387 .347 .019 .367 2.598 3.108 .24 .27 999.90 .25 67 LEU .059 .031 .182 .358 .045 .265 2.390 2.726 -1.49 -.27 999.90 -.88 68 PRO .010 .050 999.900 999.900 .030 999.900 2.836 3.242 -1.20 999.90 999.90 -1.20 69 ASN .080 .094 .359 .449 .087 .402 2.435 3.043 -.15 -.19 999.90 -.17 70 VAL .023 .000 .001 999.900 .012 999.900 1.955 1.814 .20 999.90 .58 .39 71 LEU .003 .007 .341 .759 .005 .504 1.619 2.232 -.26 -.91 999.90 -.58 72 PHE .008 .003 .003 .301 .005 .139 1.551 1.847 .09 .15 999.90 .12 73 LEU .002 .005 .003 .147 .004 .072 1.272 1.446 -.48 -1.13 999.90 -.81 74 LYS .013 .003 .291 .633 .008 .435 1.322 2.115 -.59 -.70 999.90 -.65 75 VAL .009 .005 .000 999.900 .007 999.900 1.222 1.192 .34 999.90 .69 .52 76 ASP .006 .010 .063 .751 .008 .315 1.484 1.973 -.09 -1.03 999.90 -.56 77 THR .000 .002 .590 999.900 .001 999.900 1.692 1.968 -.08 999.90 -.37 -.23 78 ASP .002 .003 .068 .679 .002 .303 1.966 2.405 .31 -.91 999.90 -.30 79 GLU .008 .003 .162 .691 .005 .368 1.964 2.383 -.82 .56 999.90 -.13 80 LEU .010 .018 .121 .839 .014 .368 1.755 1.932 -2.49 -.36 999.90 -1.43 81 LYS .004 .005 .843 .346 .005 .524 2.057 3.119 .88 .08 999.90 .48 82 SER .003 .004 .372 999.900 .004 999.900 2.162 2.648 .92 999.90 -.26 .33 83 VAL .002 .001 .000 999.900 .002 999.900 1.757 1.783 .86 999.90 .70 .78 84 ALA .001 .005 999.900 999.900 .003 999.900 1.723 1.712 .79 999.90 999.90 .79 85 SER .005 .002 .639 999.900 .004 999.900 2.123 2.511 .99 999.90 -.20 .40 86 ASP .003 .001 .001 .398 .002 .175 1.952 2.165 1.08 -.77 999.90 .16 87 TRP .007 .004 .002 .014 .006 .008 1.621 1.335 -1.05 .63 999.90 -.21 88 ALA .003 .079 999.900 999.900 .040 999.900 1.907 2.104 -2.42 999.90 999.90 -2.42 89 ILE .042 .012 .000 .220 .027 .103 1.825 1.517 -1.40 .07 999.90 -.67 90 GLN .039 .010 .570 .553 .024 .561 2.049 2.846 -1.35 -.22 999.90 -.79 91 ALA .036 .017 999.900 999.900 .026 999.900 1.828 2.062 -.90 999.90 999.90 -.90 92 MET .017 .008 .004 .161 .012 .079 1.741 2.064 -.34 .02 999.90 -.16 93 PRO .002 .000 999.900 999.900 .001 999.900 1.422 1.495 -1.84 999.90 999.90 -1.84 94 THR .004 .000 .071 999.900 .002 999.900 1.075 1.340 .47 999.90 .54 .51 95 PHE .000 .000 .003 .955 .000 .294 .882 1.470 -.24 .33 999.90 .05 96 MET .002 .000 .001 .069 .001 .034 .708 1.335 -.38 .38 999.90 .00 97 PHE .002 .000 .001 .001 .001 .001 .815 1.308 -.26 .45 999.90 .10 98 LEU .007 .001 .447 .433 .004 .440 1.016 1.471 -1.07 -2.53 999.90 -1.80 99 LYS .001 .002 .001 .002 .001 .001 1.402 1.788 -.60 .79 999.90 .10 100 GLU .002 .010 .001 .002 .006 .001 1.775 2.408 -1.56 1.03 999.90 -.27 101 GLY .000 .006 999.900 999.900 .003 999.900 1.546 .000 .89 999.90 999.90 .89 102 LYS .004 .003 .312 .559 .003 .422 1.377 2.735 -.32 -.39 999.90 -.36 103 ILE .002 .002 .001 .076 .002 .038 1.285 1.452 -.68 .66 999.90 -.01 104 LEU .004 .003 .001 .001 .004 .001 1.237 1.324 -2.48 .68 999.90 -.90 105 ASP .006 .000 .075 .818 .003 .333 1.080 1.481 -.71 -1.90 999.90 -1.30 106 LYS .008 .011 .547 .587 .010 .567 1.185 1.651 -.36 -.63 999.90 -.50 107 VAL .003 .003 .000 999.900 .003 999.900 1.218 1.264 .40 999.90 .41 .40 108 VAL .004 .006 .282 999.900 .005 999.900 1.627 2.018 .18 999.90 -.76 -.29 109 GLY .005 .018 999.900 999.900 .011 999.900 1.706 .000 -.89 999.90 999.90 -.89 110 ALA .005 .000 999.900 999.900 .003 999.900 1.969 1.957 -1.66 999.90 999.90 -1.66 111 LYS .000 .015 .069 .268 .007 .162 1.969 2.790 -.80 .86 999.90 .03 112 LYS .003 .004 .121 .264 .004 .189 2.152 3.215 .82 .14 999.90 .48 113 ASP .003 .002 .291 .198 .002 .243 2.192 2.895 .94 -.72 999.90 .11 114 GLU .001 .003 .138 .575 .002 .320 1.891 2.414 .89 .11 999.90 .50 115 LEU .001 .002 .000 .000 .001 .000 1.687 1.572 .79 .33 999.90 .56 116 GLN .001 .001 .006 .485 .001 .208 1.929 2.650 1.00 .44 999.90 .72 117 SER .001 .003 .350 999.900 .002 999.900 1.894 2.104 .94 999.90 -.16 .39 118 THR .003 .001 .001 999.900 .002 999.900 1.598 1.453 .91 999.90 .48 .70 119 ILE .001 .002 .001 .412 .002 .180 1.775 1.914 .95 .44 999.90 .69 120 ALA .001 .000 999.900 999.900 .001 999.900 2.048 2.197 .76 999.90 999.90 .76 121 LYS .001 .003 .198 .003 .002 .095 1.889 2.377 1.04 .84 999.90 .94 122 HIS .008 .031 .002 .003 .019 .002 1.886 1.391 .13 .53 999.90 .33 123 LEU .011 .216 .271 .326 .108 .298 2.365 2.971 -1.39 -1.61 999.90 -1.50 124 ALA .099 999.900 999.900 999.900 999.900 999.900 3.417 3.572 999.90 999.90 999.90 .00