1 MET 999.900 .264 .676 .798 999.900 .730 14.650 16.410 999.90 -.55 999.90 -.55 2 GLY .417 .553 999.900 999.900 .481 999.900 12.459 .000 -2.05 999.90 999.90 -2.05 3 HIS .672 .388 .503 .696 .509 .588 10.749 11.706 -1.39 .13 999.90 -.63 4 HIS .227 .549 .718 .796 .367 .754 9.281 10.436 -1.11 .11 999.90 -.50 5 HIS .779 .361 .878 .758 .522 .808 7.955 9.628 -1.68 -.13 999.90 -.91 6 HIS .315 .318 .566 .680 .316 .619 6.462 7.924 -1.17 -.11 999.90 -.64 7 HIS .236 .120 .785 .699 .176 .739 5.074 6.499 -1.27 -.17 999.90 -.72 8 HIS .276 .286 .874 .631 .281 .724 4.157 5.958 -1.22 -.04 999.90 -.63 9 LEU .376 .264 .705 .495 .318 .586 3.813 5.208 -1.94 -1.22 999.90 -1.58 10 GLU .195 .257 .559 .563 .225 .561 3.793 5.715 -1.28 -.22 999.90 -.75 11 MET .205 .076 .657 .503 .138 .573 3.685 5.615 -1.21 .03 999.90 -.59 12 ALA .396 .106 999.900 999.900 .237 999.900 3.684 4.677 -2.05 999.90 999.90 -2.05 13 SER .153 .310 .611 999.900 .228 999.900 3.069 3.897 -1.45 999.90 -.14 -.80 14 GLU .110 .428 .314 .348 .252 .331 3.278 4.246 -1.79 .34 999.90 -.72 15 GLU .426 .038 .710 .900 .208 .783 2.982 3.931 -1.75 -.75 999.90 -1.25 16 GLY .011 .012 999.900 999.900 .012 999.900 2.941 .000 .74 999.90 999.90 .74 17 GLN .056 .028 .069 .298 .042 .175 2.546 3.351 -.39 -.91 999.90 -.65 18 VAL .003 .011 .458 999.900 .007 999.900 2.127 2.075 .27 999.90 -.23 .02 19 ILE .011 .006 .002 .553 .009 .226 1.933 2.333 -.35 -.57 999.90 -.46 20 ALA .002 .005 999.900 999.900 .004 999.900 2.078 2.020 -1.30 999.90 999.90 -1.30 21 CYS .005 .015 .001 999.900 .010 999.900 2.027 1.759 .12 999.90 .43 .27 22 HIS .018 .003 .003 .014 .011 .008 2.592 2.954 -.39 .55 999.90 .08 23 THR .002 .005 .001 999.900 .003 999.900 2.420 2.840 .20 999.90 .38 .29 24 VAL .001 .003 .469 999.900 .002 999.900 2.324 2.607 -.12 999.90 -.37 -.24 25 GLU .002 .001 .164 .630 .001 .353 2.594 3.528 .65 -.20 999.90 .22 26 THR .002 .003 .001 999.900 .003 999.900 2.352 2.559 1.09 999.90 .48 .78 27 TRP .001 .001 .001 .002 .001 .002 1.854 1.371 .51 .30 999.90 .40 28 ASN .002 .001 .002 .334 .001 .152 2.099 2.529 1.21 .01 999.90 .61 29 GLU .002 .001 .002 .393 .001 .174 2.359 3.022 .80 .38 999.90 .59 30 GLN .002 .001 .007 .211 .002 .103 2.042 2.435 1.03 .15 999.90 .59 31 LEU .001 .001 .001 .000 .001 .000 1.773 1.519 1.00 .88 999.90 .94 32 GLN .001 .004 .204 .437 .002 .311 2.095 3.037 1.04 .19 999.90 .62 33 LYS .002 .004 .135 .333 .003 .228 2.343 2.967 1.08 .21 999.90 .64 34 ALA .003 .003 999.900 999.900 .003 999.900 2.060 1.822 .63 999.90 999.90 .63 35 ASN .004 .000 .002 .597 .002 .239 2.064 2.094 .22 -.40 999.90 -.09 36 GLU .002 .006 .259 .512 .004 .373 2.445 3.251 .81 .07 999.90 .44 37 SER .007 .006 .001 999.900 .007 999.900 2.613 2.741 .00 999.90 -.09 -.05 38 LYS .002 .011 .256 .078 .007 .162 2.420 3.204 -1.12 .53 999.90 -.29 39 THR .019 .000 .001 999.900 .010 999.900 2.047 2.336 -.45 999.90 -.51 -.48 40 LEU .005 .005 .292 .250 .005 .271 1.790 2.202 -.22 -1.51 999.90 -.86 41 VAL .001 .002 .000 999.900 .002 999.900 1.280 1.209 .26 999.90 -1.05 -.40 42 VAL .004 .003 .208 999.900 .004 999.900 1.009 1.348 .42 999.90 .26 .34 43 VAL .002 .003 .000 999.900 .003 999.900 .603 .678 .48 999.90 .19 .34 44 ASP .007 .005 .003 .393 .006 .174 .679 1.174 -.16 -1.20 999.90 -.68 45 PHE .005 .000 .000 .401 .003 .176 .901 1.228 -.31 .53 999.90 .11 46 THR .008 .020 .278 999.900 .014 999.900 1.415 1.441 -.96 999.90 -.70 -.83 47 ALA .025 .010 999.900 999.900 .017 999.900 1.826 2.107 -.90 999.90 999.90 -.90 48 SER .004 .002 .549 999.900 .003 999.900 2.259 2.639 .66 999.90 -.24 .21 49 TRP .002 .004 .001 .103 .003 .050 2.400 2.751 -.96 -.60 999.90 -.78 50 CYS .004 .005 .080 .088 .005 .084 1.951 1.874 .04 -1.07 999.90 -.52 51 GLY .019 .002 999.900 999.900 .011 999.900 1.661 .000 -2.04 999.90 999.90 -2.04 52 PRO .002 .000 999.900 999.900 .001 999.900 1.312 1.596 .57 999.90 999.90 .57 53 CYS .002 .002 .059 .116 .002 .087 1.360 1.600 1.20 -1.93 999.90 -.37 54 ARG .005 .001 .004 .490 .003 .208 1.627 3.172 .59 -.13 999.90 .23 55 PHE .008 .005 .001 .002 .006 .002 1.506 1.907 .43 .70 999.90 .56 56 ILE .000 .003 .062 .210 .002 .133 1.370 1.243 -1.41 -.96 999.90 -1.18 57 ALA .003 .001 999.900 999.900 .002 999.900 1.631 1.667 .48 999.90 999.90 .48 58 PRO .003 .002 999.900 999.900 .002 999.900 2.037 2.083 .49 999.90 999.90 .49 59 PHE .002 .004 .002 .398 .003 .176 1.869 2.249 .59 .36 999.90 .48 60 PHE .002 .000 .002 .001 .001 .001 1.636 1.509 .69 .60 999.90 .65 61 ALA .001 .001 999.900 999.900 .001 999.900 2.086 2.133 .62 999.90 999.90 .62 62 ASP .002 .001 .003 .299 .002 .138 2.317 2.695 .91 -.64 999.90 .13 63 LEU .001 .002 .120 .293 .001 .202 2.108 1.935 .84 .36 999.90 .60 64 ALA .001 .002 999.900 999.900 .001 999.900 2.265 2.102 .80 999.90 999.90 .80 65 LYS .002 .005 .350 .243 .003 .295 2.780 3.403 .20 .17 999.90 .19 66 LYS .008 .007 .446 .438 .007 .442 2.814 3.334 .07 .49 999.90 .28 67 LEU .022 .030 .001 .482 .026 .205 2.615 2.518 -1.15 -.31 999.90 -.73 68 PRO .009 .050 999.900 999.900 .030 999.900 3.028 3.337 -1.21 999.90 999.90 -1.21 69 ASN .079 .199 .340 .467 .137 .400 2.859 3.946 -.24 -.27 999.90 -.26 70 VAL .038 .001 .071 999.900 .019 999.900 2.254 2.137 .16 999.90 .50 .33 71 LEU .003 .005 .190 .670 .004 .381 1.737 2.141 -.21 -.52 999.90 -.37 72 PHE .006 .001 .000 .102 .003 .050 1.594 1.963 .10 .33 999.90 .21 73 LEU .003 .006 .003 .230 .004 .109 1.190 1.473 -.55 -.84 999.90 -.69 74 LYS .011 .003 .291 .953 .007 .498 1.320 1.771 -.48 -.36 999.90 -.42 75 VAL .006 .003 .000 999.900 .005 999.900 1.242 1.207 .37 999.90 .71 .54 76 ASP .007 .005 .001 .394 .006 .174 1.793 2.246 -.09 -1.16 999.90 -.63 77 THR .000 .002 .160 999.900 .001 999.900 2.135 1.972 .00 999.90 -.16 -.08 78 ASP .001 .003 .002 .596 .002 .238 2.657 3.100 .34 -1.00 999.90 -.33 79 GLU .005 .001 .223 .600 .003 .382 2.661 3.090 -1.47 .48 999.90 -.49 80 LEU .011 .016 .182 .913 .013 .418 2.300 2.453 -2.23 -.56 999.90 -1.39 81 LYS .002 .003 .610 .344 .003 .460 2.626 4.075 .77 .27 999.90 .52 82 SER .003 .003 .287 999.900 .003 999.900 2.658 3.050 1.03 999.90 -.16 .44 83 VAL .002 .001 .001 999.900 .001 999.900 2.131 1.997 .85 999.90 .70 .78 84 ALA .001 .004 999.900 999.900 .003 999.900 2.191 2.220 .81 999.90 999.90 .81 85 SER .004 .004 .485 999.900 .004 999.900 2.625 3.086 .92 999.90 .13 .53 86 ASP .003 .000 .001 .298 .002 .137 2.388 2.500 1.08 -.61 999.90 .23 87 TRP .003 .002 .001 .012 .003 .007 2.016 1.511 -1.04 .59 999.90 -.22 88 ALA .002 .097 999.900 999.900 .048 999.900 2.431 2.679 -2.54 999.90 999.90 -2.54 89 ILE .066 .009 .001 .446 .037 .192 2.301 1.738 -1.73 .16 999.90 -.78 90 GLN .030 .013 .325 .486 .021 .400 2.582 3.896 -1.02 .20 999.90 -.41 91 ALA .030 .025 999.900 999.900 .027 999.900 2.030 2.196 -.99 999.90 999.90 -.99 92 MET .022 .005 .002 .002 .013 .002 1.654 2.129 -.28 .72 999.90 .22 93 PRO .002 .000 999.900 999.900 .001 999.900 1.167 1.162 -1.51 999.90 999.90 -1.51 94 THR .006 .000 .002 999.900 .003 999.900 .836 1.219 .44 999.90 .71 .58 95 PHE .000 .002 .003 .796 .001 .281 .655 1.064 -.20 .30 999.90 .05 96 MET .005 .000 .006 .400 .003 .179 .682 1.415 -.40 .11 999.90 -.15 97 PHE .002 .001 .001 .003 .001 .002 1.066 1.439 -.23 .39 999.90 .08 98 LEU .006 .001 .366 .315 .004 .340 1.283 1.384 -1.06 -2.16 999.90 -1.61 99 LYS .000 .002 .001 .002 .001 .001 1.630 2.375 -.60 .56 999.90 -.02 100 GLU .002 .006 .001 .077 .004 .039 1.785 2.474 -1.51 .83 999.90 -.34 101 GLY .000 .005 999.900 999.900 .003 999.900 1.585 .000 .90 999.90 999.90 .90 102 LYS .011 .004 .473 .325 .007 .394 1.494 2.812 -.27 .28 999.90 .01 103 ILE .002 .004 .068 .202 .003 .133 1.530 1.598 -.72 .39 999.90 -.17 104 LEU .006 .006 .067 .081 .006 .074 1.774 1.992 -2.69 .69 999.90 -1.00 105 ASP .008 .000 .451 .706 .004 .560 1.468 2.121 -.71 -1.54 999.90 -1.12 106 LYS .009 .013 .332 .268 .011 .300 1.396 2.165 -.41 -.26 999.90 -.34 107 VAL .002 .001 .075 999.900 .001 999.900 1.204 1.379 .41 999.90 .53 .47 108 VAL .002 .004 .001 999.900 .003 999.900 1.577 1.868 .27 999.90 -1.01 -.37 109 GLY .003 .012 999.900 999.900 .007 999.900 1.440 .000 -.74 999.90 999.90 -.74 110 ALA .015 .000 999.900 999.900 .008 999.900 1.502 1.403 -1.67 999.90 999.90 -1.67 111 LYS .000 .006 .065 .342 .003 .192 1.744 2.894 -.76 .78 999.90 .01 112 LYS .005 .004 .253 .265 .005 .259 2.152 2.988 .88 .30 999.90 .59 113 ASP .002 .006 .284 .676 .004 .444 2.508 3.160 .93 -.79 999.90 .07 114 GLU .003 .002 .337 .821 .002 .514 2.209 2.787 .77 .16 999.90 .46 115 LEU .001 .001 .001 .001 .001 .001 1.926 1.560 .86 .32 999.90 .59 116 GLN .001 .002 .230 .537 .001 .365 2.450 3.190 .98 .33 999.90 .65 117 SER .001 .003 .506 999.900 .002 999.900 2.599 3.008 .99 999.90 -.04 .47 118 THR .001 .001 .001 999.900 .001 999.900 2.215 1.890 .82 999.90 .14 .48 119 ILE .001 .002 .000 .518 .002 .215 2.479 2.463 .94 .36 999.90 .65 120 ALA .001 .000 999.900 999.900 .000 999.900 3.024 3.223 .78 999.90 999.90 .78 121 LYS .002 .004 .198 .001 .003 .094 2.860 2.916 .99 .85 999.90 .92 122 HIS .010 .024 .002 .005 .017 .003 2.794 2.067 .25 .54 999.90 .39 123 LEU .010 .095 .250 .549 .051 .381 3.429 3.975 -1.56 -1.44 999.90 -1.50 124 ALA .073 999.900 999.900 999.900 999.900 999.900 3.802 3.735 999.90 999.90 999.90 .00