1 MET 999.900 .562 .442 .477 999.900 .460 18.649 20.212 999.90 -2.15 999.90 -2.15 2 GLY .390 .416 999.900 999.900 .403 999.900 16.365 .000 -1.75 999.90 999.90 -1.75 3 HIS .512 .165 .840 .806 .316 .822 14.146 14.804 -1.80 -1.96 999.90 -1.88 4 HIS .200 .224 .695 .737 .212 .715 12.344 13.396 -1.13 -2.01 999.90 -1.57 5 HIS .268 .290 .651 .695 .279 .672 10.270 11.123 -1.62 -1.96 999.90 -1.79 6 HIS .375 .152 .503 .833 .255 .629 8.611 9.661 -1.54 -2.60 999.90 -2.07 7 HIS .364 .366 .481 .937 .365 .631 6.921 8.280 -1.95 -1.28 999.90 -1.61 8 HIS .440 .109 .658 .962 .256 .757 5.151 6.614 -1.96 -2.29 999.90 -2.12 9 LEU .325 .341 .461 .107 .333 .262 3.773 5.127 -1.95 -2.25 999.90 -2.10 10 GLU .279 .207 .344 .381 .242 .362 3.014 4.869 -1.94 -1.67 999.90 -1.81 11 MET .530 .115 .462 .330 .291 .393 3.215 5.066 -1.67 -1.90 999.90 -1.78 12 ALA .338 .169 999.900 999.900 .249 999.900 3.617 4.160 -1.90 999.90 999.90 -1.90 13 SER .418 .161 .290 999.900 .278 999.900 3.830 5.065 -1.97 999.90 -.46 -1.21 14 GLU .160 .485 .404 .454 .304 .428 3.587 4.227 -1.53 -1.71 999.90 -1.62 15 GLU .446 .004 .730 .479 .194 .585 2.987 3.913 -2.46 -.95 999.90 -1.71 16 GLY .005 .004 999.900 999.900 .004 999.900 2.637 .000 .97 999.90 999.90 .97 17 GLN .005 .002 .054 .323 .004 .177 2.327 3.091 -.45 -2.43 999.90 -1.44 18 VAL .005 .001 .243 999.900 .003 999.900 2.029 1.969 -.05 999.90 -.03 -.04 19 ILE .006 .000 .009 .608 .003 .247 1.877 2.322 -.47 -1.36 999.90 -.92 20 ALA .001 .012 999.900 999.900 .006 999.900 1.952 1.892 -.98 999.90 999.90 -.98 21 CYS .017 .003 .126 999.900 .010 999.900 1.843 1.841 -.27 999.90 .41 .07 22 HIS .002 .002 .008 .220 .002 .108 2.190 2.418 -1.03 .36 999.90 -.33 23 THR .002 .002 .020 999.900 .002 999.900 2.090 2.429 -.44 999.90 -.46 -.45 24 VAL .001 .003 .197 999.900 .002 999.900 2.021 2.203 .49 999.90 -.68 -.09 25 GLU .002 .001 .005 .475 .002 .204 2.231 3.035 .76 -1.93 999.90 -.59 26 THR .001 .001 .010 999.900 .001 999.900 2.110 2.365 .98 999.90 .15 .57 27 TRP .000 .001 .002 .010 .000 .006 1.731 1.343 .86 -.81 999.90 .03 28 ASN .001 .001 .005 .167 .001 .083 1.849 1.941 1.01 -2.20 999.90 -.59 29 GLU .000 .000 .003 .223 .000 .107 2.120 2.810 .77 -.75 999.90 .01 30 GLN .001 .000 .010 .198 .001 .099 1.921 2.373 .79 -2.65 999.90 -.93 31 LEU .000 .000 .000 .003 .000 .001 1.703 1.391 .91 -1.68 999.90 -.38 32 GLN .000 .001 .206 .324 .000 .262 2.054 2.958 .84 -1.67 999.90 -.41 33 LYS .000 .001 .060 .291 .001 .168 2.206 3.082 .77 -1.13 999.90 -.18 34 ALA .001 .000 999.900 999.900 .001 999.900 1.877 1.679 .45 999.90 999.90 .45 35 ASN .000 .000 .000 .385 .000 .170 1.957 1.893 .43 -2.15 999.90 -.86 36 GLU .000 .004 .070 .308 .002 .181 2.396 3.031 .50 -1.05 999.90 -.27 37 SER .004 .002 .040 999.900 .003 999.900 2.363 2.539 .09 999.90 -.59 -.25 38 LYS .001 .001 .000 .002 .001 .001 2.049 2.451 -1.13 -1.10 999.90 -1.11 39 THR .002 .000 .000 999.900 .001 999.900 1.750 2.112 -.14 999.90 -.88 -.51 40 LEU .001 .001 .068 .208 .001 .135 1.488 1.655 -.28 -3.21 999.90 -1.74 41 VAL .000 .004 .008 999.900 .002 999.900 1.073 1.156 .13 999.90 -.96 -.42 42 VAL .006 .006 .194 999.900 .006 999.900 .972 1.262 .21 999.90 -.58 -.18 43 VAL .004 .000 .006 999.900 .002 999.900 .806 .848 -.10 999.90 .21 .06 44 ASP .000 .001 .036 .373 .001 .187 1.025 1.479 -.28 -.95 999.90 -.61 45 PHE .002 .009 .003 .097 .005 .049 1.255 1.519 -.15 -.17 999.90 -.16 46 THR .006 .002 .003 999.900 .004 999.900 1.713 1.727 -.25 999.90 -.88 -.56 47 ALA .000 .008 999.900 999.900 .004 999.900 2.228 2.374 -.63 999.90 999.90 -.63 48 SER .000 .001 .370 999.900 .001 999.900 2.872 3.424 .71 999.90 -.29 .21 49 TRP .000 .000 .003 .004 .000 .003 2.932 3.146 -1.26 -2.23 999.90 -1.75 50 CYS .000 .000 .239 .052 .000 .140 2.454 2.119 -1.07 -2.01 999.90 -1.54 51 GLY .027 .000 999.900 999.900 .013 999.900 2.356 .000 -2.06 999.90 999.90 -2.06 52 PRO .000 .003 999.900 999.900 .001 999.900 2.110 2.357 -.79 999.90 999.90 -.79 53 CYS .000 .001 .315 .349 .001 .332 1.793 1.921 .30 -1.44 999.90 -.57 54 ARG .000 .001 .014 .180 .001 .093 1.944 3.118 .62 -.69 999.90 -.03 55 PHE .005 .003 .017 .102 .004 .058 2.004 2.568 -.29 -1.06 999.90 -.68 56 ILE .003 .004 .002 .005 .004 .004 1.706 1.611 -1.49 -3.00 999.90 -2.24 57 ALA .004 .000 999.900 999.900 .002 999.900 1.776 1.798 .47 999.90 999.90 .47 58 PRO .000 .000 999.900 999.900 .000 999.900 2.101 2.195 -1.08 999.90 999.90 -1.08 59 PHE .000 .002 .020 .196 .001 .103 1.963 2.332 .79 -1.78 999.90 -.49 60 PHE .000 .001 .043 .110 .001 .076 1.725 1.693 .63 -.95 999.90 -.16 61 ALA .001 .002 999.900 999.900 .002 999.900 2.080 2.130 .59 999.90 999.90 .59 62 ASP .003 .003 .003 .458 .003 .198 2.333 2.764 1.09 -1.62 999.90 -.26 63 LEU .000 .004 .067 .018 .002 .042 2.102 1.957 .56 -2.36 999.90 -.90 64 ALA .004 .007 999.900 999.900 .006 999.900 2.239 2.097 .64 999.90 999.90 .64 65 LYS .004 .000 .055 .164 .002 .108 2.761 3.567 .29 -.69 999.90 -.20 66 LYS .011 .014 .086 .168 .013 .126 2.676 3.154 -.05 -1.31 999.90 -.68 67 LEU .115 .007 .240 .140 .059 .189 2.437 3.013 -2.20 -2.65 999.90 -2.43 68 PRO .000 .135 999.900 999.900 .065 999.900 2.955 3.530 -.94 999.90 999.90 -.94 69 ASN .268 .161 .350 .506 .213 .423 2.389 2.781 -1.47 -1.92 999.90 -1.70 70 VAL .061 .000 .009 999.900 .030 999.900 1.985 1.815 -.11 999.90 .12 .00 71 LEU .008 .010 .037 .515 .009 .238 1.680 2.248 -.10 -2.80 999.90 -1.45 72 PHE .006 .000 .004 .187 .003 .091 1.539 1.918 .11 -1.91 999.90 -.90 73 LEU .003 .005 .005 .014 .004 .010 1.268 1.502 -.49 -2.85 999.90 -1.67 74 LYS .005 .004 .040 .403 .005 .201 1.391 2.475 -.31 -1.99 999.90 -1.15 75 VAL .006 .006 .005 999.900 .006 999.900 1.309 1.237 .31 999.90 .18 .25 76 ASP .007 .006 .082 .225 .006 .151 1.684 2.141 -.11 -2.48 999.90 -1.30 77 THR .002 .002 .397 999.900 .002 999.900 1.967 2.094 .24 999.90 -.20 .02 78 ASP .005 .010 .023 .156 .008 .087 2.416 2.671 .71 -1.97 999.90 -.63 79 GLU .015 .005 .002 .524 .010 .218 2.398 3.078 -2.05 -1.99 999.90 -2.02 80 LEU .029 .022 .006 .678 .025 .261 2.013 2.224 -2.68 -2.88 999.90 -2.78 81 LYS .000 .006 .618 .315 .003 .445 2.182 3.064 .86 -1.81 999.90 -.47 82 SER .003 .000 .299 999.900 .002 999.900 2.201 2.574 1.05 999.90 -.60 .22 83 VAL .003 .007 .006 999.900 .005 999.900 1.891 1.825 .62 999.90 .02 .32 84 ALA .002 .005 999.900 999.900 .004 999.900 1.867 1.839 .74 999.90 999.90 .74 85 SER .003 .001 .134 999.900 .002 999.900 2.218 2.494 .96 999.90 -.48 .24 86 ASP .003 .002 .027 .290 .003 .149 2.136 2.432 .95 -1.37 999.90 -.21 87 TRP .009 .009 .003 .005 .009 .004 1.865 1.520 -.96 -.37 999.90 -.66 88 ALA .015 .033 999.900 999.900 .024 999.900 2.095 2.267 -2.49 999.90 999.90 -2.49 89 ILE .033 .015 .004 .226 .024 .108 2.068 1.785 -2.24 -.23 999.90 -1.24 90 GLN .013 .015 .350 .490 .014 .416 2.447 3.085 -1.00 -2.12 999.90 -1.56 91 ALA .008 .018 999.900 999.900 .013 999.900 2.142 2.456 -.95 999.90 999.90 -.95 92 MET .003 .000 .002 .124 .001 .061 1.984 2.041 -.65 -1.38 999.90 -1.01 93 PRO .000 .001 999.900 999.900 .000 999.900 1.616 1.741 .42 999.90 999.90 .42 94 THR .001 .000 .388 999.900 .001 999.900 1.178 1.615 .49 999.90 -.88 -.20 95 PHE .001 .000 .005 .557 .001 .230 .952 1.529 -.22 -.36 999.90 -.29 96 MET .002 .001 .002 .177 .001 .086 .687 1.305 -.29 -.67 999.90 -.48 97 PHE .004 .002 .004 .800 .003 .282 .793 1.447 -.45 -3.95 999.90 -2.20 98 LEU .001 .000 .279 .313 .001 .296 .977 1.512 -1.18 -3.12 999.90 -2.15 99 LYS .000 .001 .021 .019 .001 .020 1.343 1.967 -.60 -.06 999.90 -.33 100 GLU .002 .003 .010 .021 .002 .016 1.547 2.071 -1.46 -1.22 999.90 -1.34 101 GLY .002 .001 999.900 999.900 .001 999.900 1.318 .000 1.07 999.90 999.90 1.07 102 LYS .000 .000 .079 .294 .000 .179 1.230 2.389 -.34 -1.65 999.90 -1.00 103 ILE .000 .000 .010 .073 .000 .041 1.227 1.336 -1.30 .10 999.90 -.60 104 LEU .000 .001 .001 .000 .001 .000 1.240 1.366 -2.20 -1.03 999.90 -1.61 105 ASP .004 .000 .031 .013 .002 .022 1.085 1.486 -.70 -2.69 999.90 -1.69 106 LYS .004 .000 .558 .400 .002 .473 1.266 2.081 -1.19 -1.83 999.90 -1.51 107 VAL .004 .000 .003 999.900 .002 999.900 1.311 1.498 -.06 999.90 .60 .27 108 VAL .004 .004 .227 999.900 .004 999.900 1.703 2.094 -.10 999.90 -.90 -.50 109 GLY .012 .033 999.900 999.900 .023 999.900 1.701 .000 -.64 999.90 999.90 -.64 110 ALA .016 .000 999.900 999.900 .008 999.900 1.942 1.935 -1.49 999.90 999.90 -1.49 111 LYS .001 .003 .058 .184 .002 .119 1.942 2.727 -.87 -1.54 999.90 -1.21 112 LYS .004 .005 .014 .199 .005 .102 2.184 2.765 .98 -1.97 999.90 -.50 113 ASP .002 .005 .123 .248 .004 .183 2.200 2.727 .93 -1.39 999.90 -.23 114 GLU .008 .003 .034 .695 .005 .283 1.862 2.107 .64 -1.34 999.90 -.35 115 LEU .000 .000 .001 .006 .000 .003 1.744 1.712 .24 -2.66 999.90 -1.21 116 GLN .000 .000 .017 .515 .000 .225 1.969 2.782 .16 -1.24 999.90 -.54 117 SER .001 .003 .205 999.900 .002 999.900 1.803 2.025 .86 999.90 -.68 .09 118 THR .001 .000 .001 999.900 .001 999.900 1.551 1.370 .80 999.90 -.31 .25 119 ILE .000 .000 .003 .534 .000 .221 1.812 2.044 .70 -.09 999.90 .30 120 ALA .000 .000 999.900 999.900 .000 999.900 1.957 2.095 .59 999.90 999.90 .59 121 LYS .000 .000 .000 .001 .000 .001 1.732 1.791 1.04 -2.69 999.90 -.83 122 HIS .001 .000 .000 .001 .001 .001 1.839 1.549 .17 .42 999.90 .29 123 LEU .002 .044 .061 .364 .022 .198 2.121 2.541 -1.18 -3.29 999.90 -2.24 124 ALA .389 999.900 999.900 999.900 999.900 999.900 2.469 2.469 999.90 999.90 999.90 .00