REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nbw_1_A DATA FIRST_RESID 3 DATA SEQUENCE GSQILCVGLV VLDVISLVDK YPKEDSEIRC LSQRWQRGGN ASNSCTVLSL DATA SEQUENCE LGAPCAFMGS MAPGHVADFL VADFRRRGVD VSQVAWQSKG DTPSSCCIIN DATA SEQUENCE NSNGNRTIVL HDTSLPDVSA TDFEKVDLTQ FKWIHIEGRN ASEQVKMLQR DATA SEQUENCE IDAHNTRQPP EQKIRVSVEV EKPREELFQL FGYGDVVFVS KDVAKHLGFQ DATA SEQUENCE SAEEALRGLY GRVRKGAVLV CAWAEEGADA LGPDGKLLHS DAFPPPRVVD DATA SEQUENCE TLGAGDTFNA SVIFSLSQGR SVQEALRFGC QVAGKKCGLQ GFDGIV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 3 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 3 G C 0.000 174.928 174.900 0.047 0.000 0.946 3 G CA 0.000 45.108 45.100 0.013 0.000 0.502 4 S N -1.001 114.719 115.700 0.034 0.000 2.524 4 S HA 0.277 4.751 4.470 0.007 0.000 0.222 4 S C 0.713 175.380 174.600 0.112 0.000 1.040 4 S CA -0.112 58.125 58.200 0.062 0.000 0.915 4 S CB 0.376 63.596 63.200 0.033 0.000 0.831 4 S HN 0.433 8.743 8.310 -0.000 0.000 0.492 5 Q N 0.482 120.373 119.800 0.150 0.000 2.212 5 Q HA 0.592 4.936 4.340 0.007 0.000 0.238 5 Q C -0.943 175.278 176.000 0.369 0.000 0.955 5 Q CA -0.382 55.578 55.803 0.262 0.000 0.906 5 Q CB 1.409 30.349 28.738 0.336 0.000 1.215 5 Q HN 0.395 8.665 8.270 -0.000 0.000 0.478 6 I N 1.990 122.738 120.570 0.298 0.000 2.433 6 I HA 0.285 4.459 4.170 0.007 0.000 0.292 6 I C -1.002 175.189 176.117 0.123 0.000 1.001 6 I CA -0.848 60.600 61.300 0.247 0.000 1.119 6 I CB 1.513 39.609 38.000 0.160 0.000 1.289 6 I HN 0.324 8.534 8.210 -0.000 0.000 0.438 7 L N 7.223 128.415 121.223 -0.052 0.000 2.296 7 L HA 0.564 4.908 4.340 0.007 0.000 0.286 7 L C -0.893 175.927 176.870 -0.083 0.000 1.023 7 L CA 0.082 54.743 54.840 -0.297 0.000 0.812 7 L CB 1.109 42.564 42.059 -1.008 0.000 1.223 7 L HN 0.648 8.878 8.230 -0.000 0.000 0.421 8 C N 4.347 123.629 119.300 -0.030 0.000 2.351 8 C HA 0.700 5.165 4.460 0.007 0.000 0.326 8 C C -0.159 174.779 174.990 -0.087 0.000 1.272 8 C CA -1.043 58.008 59.018 0.054 0.000 1.650 8 C CB 0.989 28.845 27.740 0.193 0.000 2.257 8 C HN 0.558 8.788 8.230 -0.000 0.000 0.505 9 V N 3.642 123.470 119.914 -0.142 0.000 2.350 9 V HA 0.892 5.016 4.120 0.007 0.000 0.285 9 V C 0.609 176.600 176.094 -0.171 0.000 1.014 9 V CA 0.569 62.711 62.300 -0.264 0.000 0.831 9 V CB 0.636 32.262 31.823 -0.329 0.000 1.000 9 V HN 1.269 9.459 8.190 -0.000 0.000 0.433 10 G N 4.142 112.879 108.800 -0.105 0.000 2.474 10 G HA2 0.447 4.411 3.960 0.007 0.000 0.234 10 G HA3 0.447 4.411 3.960 0.007 0.000 0.234 10 G C -1.535 173.473 174.900 0.180 0.000 1.204 10 G CA -0.831 44.289 45.100 0.032 0.000 0.939 10 G HN 0.460 8.750 8.290 -0.000 0.000 0.491 11 L N 0.378 121.726 121.223 0.207 0.000 2.360 11 L HA 0.766 5.110 4.340 0.007 0.000 0.271 11 L C -0.257 176.733 176.870 0.200 0.000 1.057 11 L CA -1.074 53.884 54.840 0.197 0.000 0.803 11 L CB 1.664 43.769 42.059 0.076 0.000 1.207 11 L HN 0.368 8.598 8.230 -0.000 0.000 0.445 12 V N 3.475 123.467 119.914 0.130 0.000 2.540 12 V HA 0.694 4.818 4.120 0.007 0.000 0.302 12 V C -0.775 175.291 176.094 -0.047 0.000 1.035 12 V CA -0.294 61.952 62.300 -0.089 0.000 0.873 12 V CB 2.133 33.796 31.823 -0.266 0.000 0.992 12 V HN 0.466 8.656 8.190 -0.000 0.000 0.428 13 V N 6.787 126.654 119.914 -0.079 0.000 2.888 13 V HA 0.426 4.550 4.120 0.007 0.000 0.309 13 V C -0.584 175.461 176.094 -0.082 0.000 1.114 13 V CA -0.797 61.466 62.300 -0.062 0.000 0.940 13 V CB 1.943 33.738 31.823 -0.046 0.000 1.021 13 V HN 0.886 9.076 8.190 -0.000 0.000 0.426 14 L N 3.831 124.987 121.223 -0.112 0.000 2.433 14 L HA 0.422 4.766 4.340 0.007 0.000 0.275 14 L C -0.286 176.452 176.870 -0.221 0.000 1.128 14 L CA 0.640 55.360 54.840 -0.200 0.000 0.875 14 L CB 0.246 42.067 42.059 -0.397 0.000 1.171 14 L HN 0.550 8.780 8.230 -0.000 0.000 0.463 15 D N 4.797 125.102 120.400 -0.159 0.000 2.359 15 D HA 0.211 4.855 4.640 0.007 0.000 0.230 15 D C -0.629 175.569 176.300 -0.170 0.000 1.118 15 D CA -0.018 53.911 54.000 -0.118 0.000 0.844 15 D CB 1.612 42.399 40.800 -0.021 0.000 1.059 15 D HN 0.262 8.632 8.370 -0.000 0.000 0.493 16 V N 4.832 124.625 119.914 -0.202 0.000 2.334 16 V HA 0.273 4.397 4.120 0.007 0.000 0.267 16 V C 0.639 176.729 176.094 -0.007 0.000 1.040 16 V CA -0.498 61.714 62.300 -0.147 0.000 0.866 16 V CB 0.406 32.118 31.823 -0.186 0.000 1.019 16 V HN 0.356 8.546 8.190 -0.000 0.000 0.468 17 I N 3.860 124.465 120.570 0.059 0.000 2.359 17 I HA 0.398 4.572 4.170 0.007 0.000 0.294 17 I C 0.316 176.465 176.117 0.053 0.000 0.987 17 I CA 0.234 61.562 61.300 0.047 0.000 1.225 17 I CB 1.725 39.754 38.000 0.047 0.000 1.366 17 I HN 0.484 8.694 8.210 -0.000 0.000 0.466 18 S N 6.554 122.275 115.700 0.035 0.000 2.478 18 S HA 0.504 4.978 4.470 0.007 0.000 0.312 18 S C -0.770 173.843 174.600 0.023 0.000 1.094 18 S CA -0.472 57.745 58.200 0.028 0.000 1.081 18 S CB 1.570 64.781 63.200 0.020 0.000 1.007 18 S HN 0.334 8.644 8.310 -0.000 0.000 0.475 19 L N 6.004 127.237 121.223 0.018 0.000 2.265 19 L HA 0.693 5.037 4.340 0.007 0.000 0.289 19 L C -0.578 176.299 176.870 0.012 0.000 1.033 19 L CA -0.419 54.429 54.840 0.014 0.000 0.814 19 L CB 0.821 42.884 42.059 0.007 0.000 1.203 19 L HN 0.495 8.725 8.230 -0.000 0.000 0.423 20 V N 1.571 121.496 119.914 0.018 0.000 2.960 20 V HA 0.629 4.753 4.120 0.007 0.000 0.315 20 V C 0.217 176.323 176.094 0.020 0.000 1.087 20 V CA -0.387 61.922 62.300 0.015 0.000 0.982 20 V CB 1.728 33.560 31.823 0.015 0.000 1.039 20 V HN 0.742 8.932 8.190 -0.000 0.000 0.437 21 D N 0.349 120.758 120.400 0.014 0.000 2.348 21 D HA 0.102 4.746 4.640 0.007 0.000 0.211 21 D C 0.374 176.691 176.300 0.028 0.000 0.998 21 D CA 0.516 54.527 54.000 0.017 0.000 0.873 21 D CB 0.066 40.872 40.800 0.009 0.000 0.925 21 D HN 0.866 9.236 8.370 -0.000 0.000 0.524 22 K N -1.581 118.840 120.400 0.035 0.000 2.532 22 K HA 0.294 4.618 4.320 0.007 0.000 0.265 22 K C -1.451 175.204 176.600 0.092 0.000 0.948 22 K CA -1.157 55.167 56.287 0.061 0.000 0.842 22 K CB 0.965 33.491 32.500 0.043 0.000 1.392 22 K HN -0.153 8.097 8.250 -0.000 0.000 0.436 23 Y N 2.727 123.024 120.300 -0.005 0.000 2.526 23 Y HA 0.180 4.735 4.550 0.008 0.000 0.330 23 Y C -2.119 173.778 175.900 -0.004 0.000 1.156 23 Y CA -1.270 56.827 58.100 -0.005 0.000 1.419 23 Y CB 0.543 39.000 38.460 -0.005 0.000 1.250 23 Y HN 0.500 8.780 8.280 -0.000 0.000 0.540 24 P HA 0.131 4.551 4.420 -0.000 0.000 0.276 24 P C -1.373 175.746 177.300 -0.302 0.000 1.230 24 P CA -0.499 62.402 63.100 -0.331 0.000 0.776 24 P CB 0.454 31.952 31.700 -0.337 0.000 0.888 25 K N 1.858 122.183 120.400 -0.125 0.000 2.295 25 K HA 0.180 4.504 4.320 0.007 0.000 0.270 25 K C 0.075 176.628 176.600 -0.077 0.000 1.011 25 K CA -0.580 55.670 56.287 -0.062 0.000 0.953 25 K CB 0.747 33.236 32.500 -0.018 0.000 0.956 25 K HN 0.349 8.599 8.250 -0.000 0.000 0.477 26 E N 1.213 121.388 120.200 -0.042 0.000 2.653 26 E HA -0.206 4.148 4.350 0.007 0.000 0.264 26 E C -0.227 176.353 176.600 -0.035 0.000 0.949 26 E CA 1.373 57.753 56.400 -0.034 0.000 0.953 26 E CB 0.263 29.959 29.700 -0.006 0.000 0.925 26 E HN 0.912 9.272 8.360 -0.000 0.000 0.475 27 D N 0.355 120.732 120.400 -0.037 0.000 2.439 27 D HA -0.179 4.465 4.640 0.007 0.000 0.172 27 D C -0.065 176.215 176.300 -0.035 0.000 1.026 27 D CA 1.535 55.518 54.000 -0.029 0.000 1.043 27 D CB -1.160 39.628 40.800 -0.019 0.000 1.098 27 D HN 0.444 8.814 8.370 -0.000 0.000 0.467 28 S N 0.274 115.947 115.700 -0.046 0.000 2.624 28 S HA 0.439 4.913 4.470 0.007 0.000 0.263 28 S C 0.139 174.709 174.600 -0.050 0.000 1.287 28 S CA 0.071 58.243 58.200 -0.045 0.000 0.990 28 S CB 1.737 64.907 63.200 -0.050 0.000 0.950 28 S HN 0.413 8.723 8.310 -0.000 0.000 0.561 29 E N 0.497 120.672 120.200 -0.041 0.000 2.220 29 E HA 0.558 4.912 4.350 0.007 0.000 0.256 29 E C -0.944 175.633 176.600 -0.038 0.000 0.881 29 E CA -1.011 55.365 56.400 -0.040 0.000 0.766 29 E CB 0.770 30.452 29.700 -0.030 0.000 1.187 29 E HN 0.744 9.104 8.360 -0.000 0.000 0.419 30 I N -0.172 120.371 120.570 -0.044 0.000 2.646 30 I HA 0.573 4.747 4.170 0.007 0.000 0.299 30 I C -0.215 175.884 176.117 -0.030 0.000 1.036 30 I CA -1.306 59.972 61.300 -0.036 0.000 1.074 30 I CB 1.897 39.871 38.000 -0.043 0.000 1.258 30 I HN 0.432 8.642 8.210 -0.000 0.000 0.430 31 R N 3.483 123.970 120.500 -0.022 0.000 2.357 31 R HA 0.567 4.911 4.340 0.007 0.000 0.296 31 R C -0.330 175.962 176.300 -0.014 0.000 1.052 31 R CA -0.515 55.575 56.100 -0.017 0.000 0.988 31 R CB 0.854 31.145 30.300 -0.014 0.000 1.025 31 R HN 1.053 9.323 8.270 -0.000 0.000 0.469 32 C N 3.816 123.109 119.300 -0.011 0.000 2.520 32 C HA 0.335 4.799 4.460 0.007 0.000 0.376 32 C C 1.554 176.542 174.990 -0.004 0.000 1.268 32 C CA -1.067 57.948 59.018 -0.006 0.000 2.414 32 C CB 0.184 27.923 27.740 -0.001 0.000 2.521 32 C HN 0.755 8.985 8.230 -0.000 0.000 0.618 33 L N 2.143 123.365 121.223 -0.001 0.000 2.095 33 L HA 0.160 4.504 4.340 0.007 0.000 0.204 33 L C 1.581 178.450 176.870 -0.001 0.000 1.080 33 L CA 1.931 56.770 54.840 -0.001 0.000 0.759 33 L CB -1.576 40.482 42.059 -0.000 0.000 0.914 33 L HN 1.108 9.338 8.230 -0.000 0.000 0.439 34 S N -2.363 113.338 115.700 0.002 0.000 2.672 34 S HA 0.696 5.170 4.470 0.007 0.000 0.271 34 S C -0.920 173.688 174.600 0.012 0.000 1.171 34 S CA -0.894 57.308 58.200 0.003 0.000 0.817 34 S CB 2.695 65.896 63.200 0.002 0.000 1.150 34 S HN 0.133 8.443 8.310 -0.000 0.000 0.478 35 Q N -0.256 119.554 119.800 0.017 0.000 2.391 35 Q HA 0.645 4.989 4.340 0.007 0.000 0.279 35 Q C -1.506 174.525 176.000 0.051 0.000 1.028 35 Q CA -0.814 55.012 55.803 0.038 0.000 0.836 35 Q CB 2.834 31.593 28.738 0.035 0.000 1.414 35 Q HN 0.872 9.142 8.270 -0.000 0.000 0.397 36 R N -0.478 120.083 120.500 0.102 0.000 2.712 36 R HA 0.518 4.862 4.340 0.007 0.000 0.272 36 R C -1.831 174.650 176.300 0.302 0.000 1.032 36 R CA -0.856 55.327 56.100 0.138 0.000 0.874 36 R CB 0.821 31.183 30.300 0.103 0.000 1.256 36 R HN 0.349 8.619 8.270 -0.000 0.000 0.468 37 W N 1.062 122.346 121.300 -0.027 0.000 2.449 37 W HA 0.532 5.196 4.660 0.007 0.000 0.331 37 W C -0.163 176.429 176.519 0.121 0.000 1.119 37 W CA -0.396 56.916 57.345 -0.055 0.000 1.240 37 W CB 1.584 30.843 29.460 -0.336 0.000 1.251 37 W HN 0.573 8.753 8.180 -0.000 0.000 0.576 38 Q N 1.634 121.619 119.800 0.310 0.000 2.315 38 Q HA 0.294 4.638 4.340 0.007 0.000 0.273 38 Q C -0.521 175.615 176.000 0.225 0.000 1.053 38 Q CA -1.109 54.862 55.803 0.281 0.000 0.817 38 Q CB 2.538 31.380 28.738 0.172 0.000 1.326 38 Q HN 0.487 8.757 8.270 -0.000 0.000 0.423 39 R N 1.458 122.048 120.500 0.150 0.000 2.449 39 R HA 0.397 4.741 4.340 0.007 0.000 0.296 39 R C -0.283 175.962 176.300 -0.092 0.000 1.047 39 R CA 0.652 56.715 56.100 -0.062 0.000 1.018 39 R CB 0.224 30.301 30.300 -0.371 0.000 0.962 39 R HN 0.713 8.983 8.270 -0.000 0.000 0.428 40 G N 1.532 110.272 108.800 -0.101 0.000 3.257 40 G HA2 0.616 4.580 3.960 0.007 0.000 0.205 40 G HA3 0.616 4.580 3.960 0.007 0.000 0.205 40 G C -0.448 174.393 174.900 -0.099 0.000 1.234 40 G CA -0.567 44.496 45.100 -0.062 0.000 0.918 40 G HN 0.947 9.237 8.290 -0.000 0.000 0.602 41 G N -0.746 108.028 108.800 -0.043 0.000 3.019 41 G HA2 -0.129 3.835 3.960 0.007 0.000 0.686 41 G HA3 -0.129 3.835 3.960 0.007 0.000 0.686 41 G C 0.419 175.316 174.900 -0.005 0.000 1.056 41 G CA 0.300 45.387 45.100 -0.020 0.000 0.774 41 G HN 0.658 8.948 8.290 -0.000 0.000 0.583 42 N N 1.009 119.728 118.700 0.032 0.000 2.036 42 N HA -0.143 4.601 4.740 0.007 0.000 0.195 42 N C 2.758 178.304 175.510 0.061 0.000 1.037 42 N CA 2.486 55.561 53.050 0.043 0.000 0.855 42 N CB -0.429 38.094 38.487 0.059 0.000 1.033 42 N HN 1.199 9.579 8.380 -0.000 0.000 0.423 43 A N -0.105 122.793 122.820 0.129 0.000 2.015 43 A HA -0.057 4.267 4.320 0.007 0.000 0.219 43 A C 2.417 180.113 177.584 0.186 0.000 1.163 43 A CA 1.666 53.828 52.037 0.208 0.000 0.646 43 A CB -0.621 18.547 19.000 0.279 0.000 0.806 43 A HN 0.337 8.487 8.150 -0.000 0.000 0.448 44 S N 0.257 115.993 115.700 0.059 0.000 2.357 44 S HA -0.158 4.316 4.470 0.007 0.000 0.221 44 S C 1.940 176.433 174.600 -0.179 0.000 1.031 44 S CA 1.412 59.537 58.200 -0.124 0.000 0.982 44 S CB -0.500 62.495 63.200 -0.341 0.000 0.853 44 S HN 0.626 8.936 8.310 -0.000 0.000 0.458 45 N N 1.532 120.109 118.700 -0.206 0.000 2.120 45 N HA -0.020 4.724 4.740 0.007 0.000 0.188 45 N C 1.968 177.255 175.510 -0.371 0.000 1.024 45 N CA 1.467 54.281 53.050 -0.393 0.000 0.852 45 N CB -0.901 37.444 38.487 -0.238 0.000 1.003 45 N HN 0.376 8.756 8.380 -0.000 0.000 0.424 46 S N 0.451 116.040 115.700 -0.185 0.000 2.370 46 S HA -0.123 4.351 4.470 0.007 0.000 0.226 46 S C 2.316 176.835 174.600 -0.135 0.000 1.033 46 S CA 0.881 58.983 58.200 -0.163 0.000 1.011 46 S CB -0.386 62.740 63.200 -0.122 0.000 0.852 46 S HN 0.445 8.755 8.310 -0.000 0.000 0.457 47 C N 1.334 120.601 119.300 -0.055 0.000 2.429 47 C HA -0.076 4.388 4.460 0.007 0.000 0.277 47 C C 2.950 177.892 174.990 -0.080 0.000 1.262 47 C CA 1.150 60.166 59.018 -0.003 0.000 1.733 47 C CB -1.737 26.088 27.740 0.142 0.000 2.010 47 C HN 0.615 8.845 8.230 -0.000 0.000 0.483 48 T N 1.028 115.465 114.554 -0.195 0.000 2.665 48 T HA -0.173 4.181 4.350 0.007 0.000 0.268 48 T C 1.815 176.362 174.700 -0.254 0.000 1.035 48 T CA 1.901 63.836 62.100 -0.277 0.000 1.151 48 T CB -0.396 68.133 68.868 -0.564 0.000 0.862 48 T HN 0.381 8.621 8.240 -0.000 0.000 0.438 49 V N 1.317 121.047 119.914 -0.306 0.000 2.307 49 V HA -0.101 4.023 4.120 0.007 0.000 0.245 49 V C 2.523 178.497 176.094 -0.199 0.000 1.045 49 V CA 1.396 63.560 62.300 -0.225 0.000 1.024 49 V CB -0.750 30.948 31.823 -0.207 0.000 0.651 49 V HN 0.402 8.592 8.190 -0.000 0.000 0.449 50 L N 0.387 121.506 121.223 -0.174 0.000 2.013 50 L HA -0.235 4.109 4.340 0.007 0.000 0.212 50 L C 2.814 179.597 176.870 -0.146 0.000 1.073 50 L CA 2.096 56.845 54.840 -0.152 0.000 0.753 50 L CB -0.776 41.243 42.059 -0.066 0.000 0.890 50 L HN 0.495 8.725 8.230 -0.000 0.000 0.432 51 S N 0.336 115.980 115.700 -0.094 0.000 2.359 51 S HA -0.224 4.250 4.470 0.007 0.000 0.223 51 S C 2.019 176.562 174.600 -0.094 0.000 1.039 51 S CA 1.537 59.699 58.200 -0.064 0.000 1.042 51 S CB -0.463 62.715 63.200 -0.035 0.000 0.915 51 S HN 0.351 8.661 8.310 -0.000 0.000 0.439 52 L N 0.665 121.820 121.223 -0.114 0.000 2.191 52 L HA 0.004 4.348 4.340 0.007 0.000 0.212 52 L C 2.335 179.112 176.870 -0.156 0.000 1.103 52 L CA 0.863 55.640 54.840 -0.105 0.000 0.769 52 L CB -0.418 41.591 42.059 -0.083 0.000 0.908 52 L HN 0.367 8.597 8.230 -0.000 0.000 0.438 53 L N -0.877 120.181 121.223 -0.275 0.000 2.478 53 L HA 0.056 4.400 4.340 0.007 0.000 0.223 53 L C 1.579 178.183 176.870 -0.443 0.000 1.140 53 L CA 0.787 55.337 54.840 -0.483 0.000 0.842 53 L CB -0.229 41.258 42.059 -0.952 0.000 0.953 53 L HN 0.508 8.738 8.230 -0.000 0.000 0.452 54 G N -0.608 108.057 108.800 -0.225 0.000 2.211 54 G HA2 -0.198 3.766 3.960 0.007 0.000 0.201 54 G HA3 -0.198 3.766 3.960 0.007 0.000 0.201 54 G C 0.334 175.266 174.900 0.053 0.000 0.997 54 G CA -0.175 44.895 45.100 -0.051 0.000 0.652 54 G HN 0.397 8.687 8.290 -0.000 0.000 0.500 55 A N 1.373 124.226 122.820 0.055 0.000 2.396 55 A HA 0.682 5.006 4.320 0.007 0.000 0.279 55 A C -1.804 175.840 177.584 0.100 0.000 1.165 55 A CA -0.932 51.212 52.037 0.177 0.000 0.824 55 A CB 0.175 19.349 19.000 0.290 0.000 1.100 55 A HN 0.131 8.281 8.150 -0.000 0.000 0.516 56 P HA 0.284 4.704 4.420 -0.000 0.000 0.268 56 P C -0.284 177.089 177.300 0.121 0.000 1.204 56 P CA 0.049 63.205 63.100 0.094 0.000 0.768 56 P CB 0.268 32.021 31.700 0.088 0.000 0.842 57 C N 1.182 120.551 119.300 0.114 0.000 3.288 57 C HA 0.940 5.404 4.460 0.007 0.000 0.318 57 C C -1.047 174.018 174.990 0.126 0.000 1.356 57 C CA -1.011 58.085 59.018 0.129 0.000 1.359 57 C CB 1.266 29.059 27.740 0.088 0.000 1.688 57 C HN 0.643 8.873 8.230 -0.000 0.000 0.467 58 A N 0.747 123.638 122.820 0.119 0.000 2.435 58 A HA 0.853 5.177 4.320 0.007 0.000 0.304 58 A C -1.375 176.225 177.584 0.027 0.000 1.064 58 A CA -0.307 51.780 52.037 0.084 0.000 0.727 58 A CB 1.310 20.420 19.000 0.183 0.000 1.284 58 A HN 1.711 9.861 8.150 -0.000 0.000 0.415 59 F N 2.117 121.946 119.950 -0.201 0.000 2.436 59 F HA 0.731 5.262 4.527 0.005 0.000 0.340 59 F C -0.265 175.392 175.800 -0.238 0.000 1.113 59 F CA -0.915 56.935 58.000 -0.250 0.000 1.022 59 F CB 1.521 40.233 39.000 -0.480 0.000 1.128 59 F HN 0.558 8.858 8.300 -0.000 0.000 0.466 60 M N 6.496 125.389 119.600 -1.179 0.000 2.142 60 M HA 0.680 5.164 4.480 0.007 0.000 0.299 60 M C -0.966 174.500 176.300 -1.390 0.000 0.960 60 M CA -0.103 54.571 55.300 -1.044 0.000 0.920 60 M CB 1.145 33.461 32.600 -0.473 0.000 1.541 60 M HN 0.846 9.136 8.290 -0.000 0.000 0.429 61 G N 1.596 109.692 108.800 -1.174 0.000 2.559 61 G HA2 0.423 4.387 3.960 0.007 0.000 0.291 61 G HA3 0.423 4.387 3.960 0.007 0.000 0.291 61 G C -1.782 172.978 174.900 -0.233 0.000 1.424 61 G CA -0.655 44.132 45.100 -0.522 0.000 0.786 61 G HN 0.544 8.834 8.290 -0.000 0.000 0.485 62 S N 0.310 115.945 115.700 -0.108 0.000 2.531 62 S HA 0.593 5.067 4.470 0.007 0.000 0.279 62 S C 0.134 174.675 174.600 -0.099 0.000 1.305 62 S CA 0.119 58.257 58.200 -0.103 0.000 1.058 62 S CB 0.260 63.431 63.200 -0.049 0.000 0.899 62 S HN 0.391 8.701 8.310 -0.000 0.000 0.493 63 M N 2.662 122.135 119.600 -0.211 0.000 2.378 63 M HA 0.463 4.947 4.480 0.007 0.000 0.289 63 M C -0.829 175.542 176.300 0.118 0.000 1.136 63 M CA -0.645 54.535 55.300 -0.200 0.000 0.917 63 M CB 2.197 34.355 32.600 -0.736 0.000 1.669 63 M HN 0.616 8.906 8.290 -0.000 0.000 0.461 64 A N 3.994 126.948 122.820 0.223 0.000 2.276 64 A HA 0.829 5.153 4.320 0.007 0.000 0.316 64 A C -2.606 175.207 177.584 0.381 0.000 1.229 64 A CA -1.516 50.700 52.037 0.298 0.000 0.851 64 A CB 0.126 19.224 19.000 0.164 0.000 1.165 64 A HN 0.404 8.554 8.150 -0.000 0.000 0.513 65 P HA 0.420 4.840 4.420 -0.000 0.000 0.265 65 P C 0.514 177.884 177.300 0.116 0.000 1.193 65 P CA 0.737 63.934 63.100 0.162 0.000 0.765 65 P CB 0.958 32.642 31.700 -0.027 0.000 0.823 66 G N 1.136 109.988 108.800 0.087 0.000 2.320 66 G HA2 0.075 4.039 3.960 0.007 0.000 0.296 66 G HA3 0.075 4.039 3.960 0.007 0.000 0.296 66 G C -0.196 174.729 174.900 0.042 0.000 1.306 66 G CA -0.498 44.636 45.100 0.057 0.000 0.836 66 G HN 0.440 8.730 8.290 -0.000 0.000 0.517 67 H N -1.124 118.029 119.070 0.138 0.000 2.462 67 H HA 0.085 4.645 4.556 0.007 0.000 0.292 67 H C 2.579 178.047 175.328 0.234 0.000 1.049 67 H CA 1.699 57.845 56.048 0.163 0.000 1.334 67 H CB 0.232 30.078 29.762 0.141 0.000 1.404 67 H HN 0.190 8.470 8.280 -0.000 0.000 0.544 68 V N 0.485 120.592 119.914 0.323 0.000 2.283 68 V HA -0.227 3.897 4.120 0.007 0.000 0.243 68 V C 2.579 178.868 176.094 0.325 0.000 1.039 68 V CA 1.578 64.052 62.300 0.289 0.000 1.016 68 V CB -0.962 30.941 31.823 0.133 0.000 0.650 68 V HN 0.574 8.764 8.190 -0.000 0.000 0.449 69 A N 0.096 123.082 122.820 0.277 0.000 1.917 69 A HA -0.317 4.007 4.320 0.007 0.000 0.219 69 A C 1.930 179.713 177.584 0.332 0.000 1.182 69 A CA 2.327 54.558 52.037 0.324 0.000 0.633 69 A CB -0.755 18.502 19.000 0.429 0.000 0.819 69 A HN 0.572 8.722 8.150 -0.000 0.000 0.448 70 D N -1.299 119.267 120.400 0.277 0.000 2.144 70 D HA -0.135 4.509 4.640 0.007 0.000 0.199 70 D C 1.574 178.023 176.300 0.250 0.000 0.984 70 D CA 1.348 55.483 54.000 0.225 0.000 0.834 70 D CB -0.444 40.451 40.800 0.159 0.000 0.955 70 D HN 0.561 8.931 8.370 -0.000 0.000 0.465 71 F N 1.287 121.344 119.950 0.180 0.000 2.113 71 F HA -0.111 4.420 4.527 0.006 0.000 0.297 71 F C 2.064 177.929 175.800 0.109 0.000 1.103 71 F CA 1.122 59.226 58.000 0.172 0.000 1.248 71 F CB -0.308 38.860 39.000 0.280 0.000 0.999 71 F HN -0.132 8.168 8.300 -0.000 0.000 0.475 72 L N -0.267 121.030 121.223 0.122 0.000 2.012 72 L HA -0.239 4.105 4.340 0.007 0.000 0.210 72 L C 2.429 179.239 176.870 -0.101 0.000 1.073 72 L CA 1.327 56.101 54.840 -0.111 0.000 0.748 72 L CB -1.107 40.980 42.059 0.046 0.000 0.891 72 L HN 0.060 8.290 8.230 -0.000 0.000 0.431 73 V N 0.200 120.219 119.914 0.174 0.000 2.343 73 V HA -0.300 3.824 4.120 0.007 0.000 0.247 73 V C 2.764 178.955 176.094 0.161 0.000 1.051 73 V CA 1.866 64.352 62.300 0.310 0.000 1.036 73 V CB -0.923 31.108 31.823 0.348 0.000 0.654 73 V HN 0.496 8.686 8.190 -0.000 0.000 0.451 74 A N -0.169 122.675 122.820 0.040 0.000 1.972 74 A HA -0.294 4.030 4.320 0.007 0.000 0.219 74 A C 2.019 179.546 177.584 -0.094 0.000 1.169 74 A CA 2.152 54.181 52.037 -0.013 0.000 0.635 74 A CB -0.633 18.351 19.000 -0.026 0.000 0.810 74 A HN 0.633 8.783 8.150 -0.000 0.000 0.446 75 D N -1.443 118.802 120.400 -0.258 0.000 2.117 75 D HA -0.114 4.530 4.640 0.007 0.000 0.198 75 D C 1.626 177.820 176.300 -0.176 0.000 0.982 75 D CA 1.118 54.925 54.000 -0.320 0.000 0.828 75 D CB -0.256 40.198 40.800 -0.578 0.000 0.967 75 D HN 0.472 8.842 8.370 -0.000 0.000 0.464 76 F N 0.625 120.490 119.950 -0.142 0.000 2.091 76 F HA -0.194 4.336 4.527 0.005 0.000 0.299 76 F C 2.614 178.383 175.800 -0.051 0.000 1.103 76 F CA 1.145 59.086 58.000 -0.098 0.000 1.228 76 F CB -0.045 38.914 39.000 -0.068 0.000 0.984 76 F HN -0.068 8.232 8.300 -0.000 0.000 0.477 77 R N -0.262 120.338 120.500 0.168 0.000 2.073 77 R HA -0.113 4.231 4.340 0.007 0.000 0.229 77 R C 2.210 178.540 176.300 0.050 0.000 1.120 77 R CA 0.995 57.153 56.100 0.097 0.000 0.967 77 R CB -0.552 29.796 30.300 0.081 0.000 0.862 77 R HN 0.247 8.517 8.270 -0.000 0.000 0.436 78 R N 0.933 121.444 120.500 0.019 0.000 2.200 78 R HA -0.068 4.276 4.340 0.007 0.000 0.234 78 R C 1.560 177.860 176.300 0.001 0.000 1.127 78 R CA 1.118 57.218 56.100 -0.001 0.000 0.989 78 R CB 0.142 30.424 30.300 -0.030 0.000 0.869 78 R HN 0.037 8.307 8.270 -0.000 0.000 0.459 79 R N -1.096 119.410 120.500 0.010 0.000 2.312 79 R HA 0.103 4.447 4.340 0.007 0.000 0.205 79 R C 0.981 177.298 176.300 0.030 0.000 0.904 79 R CA 0.782 56.886 56.100 0.008 0.000 1.052 79 R CB 0.774 31.069 30.300 -0.010 0.000 1.014 79 R HN 0.481 8.751 8.270 -0.000 0.000 0.503 80 G N 1.181 110.010 108.800 0.048 0.000 2.162 80 G HA2 -0.263 3.701 3.960 0.007 0.000 0.260 80 G HA3 -0.263 3.701 3.960 0.007 0.000 0.260 80 G C 0.279 175.218 174.900 0.066 0.000 0.976 80 G CA 0.343 45.473 45.100 0.050 0.000 0.655 80 G HN 0.148 8.438 8.290 -0.000 0.000 0.533 81 V N 1.519 121.493 119.914 0.100 0.000 2.585 81 V HA 0.249 4.373 4.120 0.007 0.000 0.296 81 V C 0.771 176.890 176.094 0.041 0.000 1.035 81 V CA -0.126 62.236 62.300 0.103 0.000 1.084 81 V CB 1.561 33.522 31.823 0.231 0.000 0.953 81 V HN 0.399 8.589 8.190 -0.000 0.000 0.483 82 D N 3.760 124.174 120.400 0.024 0.000 2.317 82 D HA 0.172 4.816 4.640 0.007 0.000 0.252 82 D C 0.600 176.866 176.300 -0.057 0.000 1.174 82 D CA -0.209 53.800 54.000 0.014 0.000 0.866 82 D CB 1.875 42.714 40.800 0.064 0.000 1.127 82 D HN 0.447 8.817 8.370 -0.000 0.000 0.467 83 V N 1.515 121.389 119.914 -0.067 0.000 3.578 83 V HA 0.040 4.164 4.120 0.007 0.000 0.290 83 V C 1.837 177.928 176.094 -0.006 0.000 1.376 83 V CA 0.561 62.790 62.300 -0.119 0.000 1.083 83 V CB -0.292 31.449 31.823 -0.136 0.000 0.911 83 V HN 0.509 8.699 8.190 -0.000 0.000 0.433 84 S N 0.287 116.008 115.700 0.035 0.000 2.465 84 S HA -0.194 4.280 4.470 0.007 0.000 0.241 84 S C 1.616 176.249 174.600 0.054 0.000 1.000 84 S CA 1.535 59.777 58.200 0.069 0.000 0.964 84 S CB -0.439 62.796 63.200 0.059 0.000 0.763 84 S HN 0.598 8.908 8.310 -0.000 0.000 0.512 85 Q N 0.797 120.600 119.800 0.005 0.000 2.246 85 Q HA 0.412 4.756 4.340 0.007 0.000 0.202 85 Q C -0.396 175.529 176.000 -0.125 0.000 0.883 85 Q CA -0.144 55.642 55.803 -0.028 0.000 0.952 85 Q CB 0.516 29.245 28.738 -0.015 0.000 1.078 85 Q HN 0.430 8.700 8.270 -0.000 0.000 0.493 86 V N 1.266 121.087 119.914 -0.156 0.000 2.655 86 V HA 0.184 4.308 4.120 0.007 0.000 0.300 86 V C 0.386 176.288 176.094 -0.320 0.000 1.044 86 V CA -0.064 62.030 62.300 -0.344 0.000 1.095 86 V CB 1.002 32.501 31.823 -0.540 0.000 0.952 86 V HN 0.263 8.453 8.190 -0.000 0.000 0.485 87 A N 6.222 128.857 122.820 -0.309 0.000 2.923 87 A HA 0.343 4.667 4.320 0.007 0.000 0.306 87 A C -0.377 177.131 177.584 -0.126 0.000 1.542 87 A CA -0.554 51.395 52.037 -0.148 0.000 1.225 87 A CB -0.522 18.416 19.000 -0.104 0.000 1.147 87 A HN 0.822 8.972 8.150 -0.000 0.000 0.542 88 W N 1.667 122.981 121.300 0.023 0.000 2.264 88 W HA 0.248 4.913 4.660 0.008 0.000 0.331 88 W C 0.658 177.191 176.519 0.024 0.000 1.364 88 W CA 0.103 57.468 57.345 0.032 0.000 1.253 88 W CB 0.626 30.104 29.460 0.030 0.000 1.215 88 W HN 0.509 8.689 8.180 -0.000 0.000 0.561 89 Q N 1.053 121.013 119.800 0.268 0.000 2.194 89 Q HA 0.319 4.663 4.340 0.007 0.000 0.245 89 Q C 0.738 176.834 176.000 0.160 0.000 0.993 89 Q CA -0.255 55.645 55.803 0.161 0.000 0.930 89 Q CB 1.491 30.291 28.738 0.103 0.000 1.238 89 Q HN 0.566 8.836 8.270 -0.000 0.000 0.486 90 S N -1.612 114.149 115.700 0.102 0.000 2.549 90 S HA 0.148 4.622 4.470 0.007 0.000 0.225 90 S C 0.194 174.833 174.600 0.064 0.000 1.039 90 S CA -0.269 57.977 58.200 0.078 0.000 0.942 90 S CB 0.312 63.546 63.200 0.057 0.000 0.881 90 S HN 0.507 8.817 8.310 -0.000 0.000 0.503 91 K N 0.906 121.343 120.400 0.060 0.000 2.259 91 K HA 0.749 5.073 4.320 0.007 0.000 0.249 91 K C 0.184 176.813 176.600 0.048 0.000 0.942 91 K CA -0.580 55.736 56.287 0.048 0.000 0.816 91 K CB 1.569 34.090 32.500 0.035 0.000 1.155 91 K HN 0.341 8.591 8.250 -0.000 0.000 0.428 92 G N 1.647 110.473 108.800 0.043 0.000 2.663 92 G HA2 -0.109 3.855 3.960 0.007 0.000 0.686 92 G HA3 -0.109 3.855 3.960 0.007 0.000 0.686 92 G C -1.536 173.394 174.900 0.050 0.000 1.246 92 G CA -0.738 44.383 45.100 0.035 0.000 0.795 92 G HN 0.751 9.041 8.290 -0.000 0.000 0.627 93 D N -0.153 120.270 120.400 0.038 0.000 2.385 93 D HA 0.578 5.222 4.640 0.007 0.000 0.254 93 D C 1.068 177.388 176.300 0.033 0.000 1.053 93 D CA 0.349 54.382 54.000 0.054 0.000 0.992 93 D CB 1.430 42.271 40.800 0.068 0.000 1.145 93 D HN 0.816 9.186 8.370 -0.000 0.000 0.523 94 T N -1.552 113.033 114.554 0.051 0.000 2.919 94 T HA 0.322 4.676 4.350 0.007 0.000 0.302 94 T C -2.485 172.205 174.700 -0.016 0.000 1.031 94 T CA -1.274 60.842 62.100 0.028 0.000 1.127 94 T CB 0.860 69.761 68.868 0.055 0.000 0.952 94 T HN -0.001 8.239 8.240 -0.000 0.000 0.540 95 P HA 0.361 4.781 4.420 -0.000 0.000 0.272 95 P C -0.742 176.525 177.300 -0.055 0.000 1.230 95 P CA -0.448 62.603 63.100 -0.081 0.000 0.788 95 P CB 0.659 32.312 31.700 -0.079 0.000 0.949 96 S N -0.902 114.780 115.700 -0.030 0.000 2.570 96 S HA 0.796 5.270 4.470 0.007 0.000 0.270 96 S C -1.044 173.541 174.600 -0.024 0.000 1.149 96 S CA -0.713 57.445 58.200 -0.070 0.000 0.837 96 S CB 1.273 64.395 63.200 -0.130 0.000 1.124 96 S HN 0.472 8.782 8.310 -0.000 0.000 0.465 97 S N -0.413 115.247 115.700 -0.067 0.000 2.595 97 S HA 0.743 5.217 4.470 0.007 0.000 0.281 97 S C -0.805 173.761 174.600 -0.056 0.000 1.117 97 S CA -0.911 57.269 58.200 -0.033 0.000 0.873 97 S CB 0.872 64.062 63.200 -0.017 0.000 1.108 97 S HN 0.945 9.255 8.310 -0.000 0.000 0.477 98 C N 2.024 121.307 119.300 -0.028 0.000 2.307 98 C HA 0.680 5.144 4.460 0.007 0.000 0.340 98 C C 0.116 175.105 174.990 -0.001 0.000 1.275 98 C CA -0.557 58.448 59.018 -0.022 0.000 1.811 98 C CB -0.964 26.768 27.740 -0.014 0.000 2.372 98 C HN 0.904 9.134 8.230 -0.000 0.000 0.531 99 C N 4.697 123.998 119.300 0.002 0.000 2.319 99 C HA 0.568 5.032 4.460 0.007 0.000 0.323 99 C C 0.005 175.013 174.990 0.030 0.000 1.277 99 C CA -0.639 58.389 59.018 0.017 0.000 1.517 99 C CB -0.531 27.214 27.740 0.008 0.000 2.206 99 C HN 0.758 8.988 8.230 -0.000 0.000 0.486 100 I N 4.039 124.643 120.570 0.056 0.000 2.336 100 I HA 0.413 4.587 4.170 0.007 0.000 0.292 100 I C -0.221 175.940 176.117 0.073 0.000 0.991 100 I CA -0.034 61.309 61.300 0.072 0.000 1.227 100 I CB 0.747 38.814 38.000 0.112 0.000 1.366 100 I HN 0.520 8.730 8.210 -0.000 0.000 0.466 101 I N 5.986 126.585 120.570 0.048 0.000 2.330 101 I HA 0.212 4.386 4.170 0.007 0.000 0.289 101 I C 0.020 176.162 176.117 0.042 0.000 1.001 101 I CA -0.634 60.684 61.300 0.031 0.000 1.193 101 I CB 1.242 39.243 38.000 0.003 0.000 1.345 101 I HN 0.524 8.734 8.210 -0.000 0.000 0.461 102 N N 6.139 124.869 118.700 0.050 0.000 2.405 102 N HA 0.010 4.754 4.740 0.007 0.000 0.260 102 N C 0.612 176.135 175.510 0.023 0.000 1.152 102 N CA 0.444 53.527 53.050 0.055 0.000 0.948 102 N CB 0.530 39.053 38.487 0.061 0.000 1.111 102 N HN 0.572 8.952 8.380 -0.000 0.000 0.485 103 N N 1.759 120.470 118.700 0.019 0.000 2.512 103 N HA -0.093 4.651 4.740 0.007 0.000 0.183 103 N C -0.336 175.176 175.510 0.003 0.000 1.073 103 N CA 0.421 53.475 53.050 0.005 0.000 0.911 103 N CB 0.242 38.731 38.487 0.004 0.000 0.964 103 N HN 0.500 8.880 8.380 -0.000 0.000 0.447 104 S N -0.469 115.236 115.700 0.009 0.000 2.460 104 S HA 0.338 4.812 4.470 0.007 0.000 0.211 104 S C 0.054 174.656 174.600 0.004 0.000 1.312 104 S CA -0.668 57.536 58.200 0.006 0.000 1.256 104 S CB 0.289 63.496 63.200 0.011 0.000 1.086 104 S HN 0.472 8.782 8.310 -0.000 0.000 0.507 105 N N 0.705 119.403 118.700 -0.002 0.000 2.466 105 N HA -0.017 4.727 4.740 0.007 0.000 0.294 105 N C 1.100 176.601 175.510 -0.016 0.000 1.515 105 N CA 1.008 54.054 53.050 -0.007 0.000 2.960 105 N CB -1.010 37.475 38.487 -0.003 0.000 1.729 105 N HN 0.834 9.214 8.380 -0.000 0.000 1.146 106 G N 0.473 109.263 108.800 -0.016 0.000 2.189 106 G HA2 -0.327 3.637 3.960 0.007 0.000 0.267 106 G HA3 -0.327 3.637 3.960 0.007 0.000 0.267 106 G C -0.320 174.561 174.900 -0.032 0.000 0.975 106 G CA 0.619 45.703 45.100 -0.026 0.000 0.644 106 G HN 0.538 8.828 8.290 -0.000 0.000 0.537 107 N N 0.765 119.444 118.700 -0.034 0.000 2.407 107 N HA 0.325 5.069 4.740 0.007 0.000 0.250 107 N C 0.677 176.165 175.510 -0.036 0.000 1.236 107 N CA 0.435 53.454 53.050 -0.052 0.000 0.879 107 N CB 0.492 38.927 38.487 -0.087 0.000 1.088 107 N HN 0.733 9.113 8.380 -0.000 0.000 0.450 108 R N 0.266 120.742 120.500 -0.041 0.000 2.534 108 R HA 0.491 4.835 4.340 0.007 0.000 0.301 108 R C -1.450 174.840 176.300 -0.018 0.000 0.961 108 R CA -0.394 55.696 56.100 -0.017 0.000 0.871 108 R CB 0.360 30.648 30.300 -0.019 0.000 1.170 108 R HN 0.351 8.621 8.270 -0.000 0.000 0.446 109 T N 4.941 119.509 114.554 0.024 0.000 2.812 109 T HA 0.530 4.884 4.350 0.007 0.000 0.282 109 T C 0.112 174.843 174.700 0.051 0.000 0.990 109 T CA -0.497 61.626 62.100 0.039 0.000 0.960 109 T CB 1.107 70.050 68.868 0.125 0.000 0.948 109 T HN 0.512 8.752 8.240 -0.000 0.000 0.438 110 I N 2.743 123.332 120.570 0.033 0.000 2.406 110 I HA 0.463 4.637 4.170 0.007 0.000 0.290 110 I C -0.621 175.514 176.117 0.030 0.000 0.999 110 I CA -1.120 60.196 61.300 0.026 0.000 1.124 110 I CB 2.005 40.013 38.000 0.013 0.000 1.289 110 I HN 0.278 8.488 8.210 -0.000 0.000 0.441 111 V N 7.040 126.971 119.914 0.028 0.000 2.313 111 V HA 0.319 4.443 4.120 0.007 0.000 0.278 111 V C -0.077 176.033 176.094 0.027 0.000 1.017 111 V CA -0.551 61.765 62.300 0.028 0.000 0.823 111 V CB 1.682 33.520 31.823 0.025 0.000 1.010 111 V HN 0.504 8.694 8.190 -0.000 0.000 0.443 112 L N 5.008 126.251 121.223 0.033 0.000 2.289 112 L HA 0.561 4.905 4.340 0.007 0.000 0.285 112 L C -0.481 176.439 176.870 0.084 0.000 1.049 112 L CA -0.523 54.339 54.840 0.037 0.000 0.804 112 L CB 1.276 43.344 42.059 0.015 0.000 1.195 112 L HN 0.784 9.014 8.230 -0.000 0.000 0.428 113 H N 3.961 123.014 119.070 -0.029 0.000 2.724 113 H HA 0.250 4.811 4.556 0.007 0.000 0.278 113 H C -0.835 174.481 175.328 -0.021 0.000 1.159 113 H CA -0.521 55.512 56.048 -0.025 0.000 1.254 113 H CB 0.274 30.017 29.762 -0.032 0.000 1.412 113 H HN 0.489 8.769 8.280 -0.000 0.000 0.488 114 D N 3.729 124.019 120.400 -0.184 0.000 2.325 114 D HA 0.065 4.709 4.640 0.007 0.000 0.251 114 D C 0.048 176.142 176.300 -0.343 0.000 1.196 114 D CA -0.026 53.849 54.000 -0.207 0.000 0.866 114 D CB 0.680 41.426 40.800 -0.091 0.000 1.101 114 D HN 0.687 9.057 8.370 -0.000 0.000 0.476 115 T N -0.115 114.241 114.554 -0.331 0.000 2.899 115 T HA 0.193 4.547 4.350 0.007 0.000 0.284 115 T C 1.573 176.198 174.700 -0.125 0.000 1.004 115 T CA -0.363 61.571 62.100 -0.277 0.000 1.043 115 T CB 1.160 69.901 68.868 -0.212 0.000 1.013 115 T HN 0.227 8.467 8.240 -0.000 0.000 0.518 116 S N 0.899 116.553 115.700 -0.075 0.000 2.465 116 S HA -0.088 4.386 4.470 0.007 0.000 0.241 116 S C 0.978 175.561 174.600 -0.027 0.000 1.000 116 S CA -0.131 58.047 58.200 -0.037 0.000 0.964 116 S CB -1.006 62.185 63.200 -0.014 0.000 0.763 116 S HN 0.712 9.022 8.310 -0.000 0.000 0.512 117 L N 3.309 124.515 121.223 -0.029 0.000 2.837 117 L HA 0.045 4.389 4.340 0.007 0.000 0.300 117 L C -2.397 174.465 176.870 -0.015 0.000 1.211 117 L CA -0.449 54.384 54.840 -0.012 0.000 0.890 117 L CB -0.401 41.650 42.059 -0.015 0.000 1.200 117 L HN 0.089 8.319 8.230 -0.000 0.000 0.492 118 P HA 0.113 4.533 4.420 -0.000 0.000 0.271 118 P C -0.999 176.288 177.300 -0.021 0.000 1.216 118 P CA -0.320 62.774 63.100 -0.010 0.000 0.771 118 P CB 0.447 32.147 31.700 0.000 0.000 0.864 119 D N 0.999 121.382 120.400 -0.029 0.000 2.399 119 D HA 0.022 4.666 4.640 0.007 0.000 0.241 119 D C 0.388 176.658 176.300 -0.050 0.000 1.133 119 D CA -0.047 53.928 54.000 -0.043 0.000 0.890 119 D CB 0.808 41.580 40.800 -0.047 0.000 1.201 119 D HN 0.138 8.508 8.370 -0.000 0.000 0.432 120 V N 1.230 121.100 119.914 -0.073 0.000 2.788 120 V HA 0.188 4.312 4.120 0.007 0.000 0.307 120 V C 0.147 176.201 176.094 -0.066 0.000 1.069 120 V CA 0.082 62.335 62.300 -0.079 0.000 1.173 120 V CB 0.672 32.420 31.823 -0.126 0.000 0.925 120 V HN 0.591 8.781 8.190 -0.000 0.000 0.492 121 S N 4.298 119.978 115.700 -0.033 0.000 2.648 121 S HA 0.812 5.286 4.470 0.007 0.000 0.305 121 S C 1.079 175.688 174.600 0.016 0.000 1.094 121 S CA -0.329 57.859 58.200 -0.020 0.000 0.983 121 S CB 1.621 64.816 63.200 -0.008 0.000 1.101 121 S HN 1.836 10.146 8.310 -0.000 0.000 0.514 122 A N 1.675 124.505 122.820 0.016 0.000 1.892 122 A HA -0.066 4.258 4.320 0.007 0.000 0.218 122 A C 2.162 179.798 177.584 0.087 0.000 1.188 122 A CA 2.575 54.654 52.037 0.070 0.000 0.631 122 A CB -2.139 16.882 19.000 0.035 0.000 0.822 122 A HN 0.935 9.085 8.150 -0.000 0.000 0.447 123 T N 0.372 114.952 114.554 0.042 0.000 2.653 123 T HA -0.200 4.154 4.350 0.007 0.000 0.268 123 T C 1.546 176.266 174.700 0.035 0.000 1.035 123 T CA 1.704 63.821 62.100 0.030 0.000 1.154 123 T CB -0.568 68.311 68.868 0.018 0.000 0.862 123 T HN 0.521 8.761 8.240 -0.000 0.000 0.441 124 D N 0.329 120.754 120.400 0.043 0.000 2.092 124 D HA -0.072 4.572 4.640 0.007 0.000 0.193 124 D C 1.778 178.125 176.300 0.079 0.000 0.994 124 D CA 0.885 54.911 54.000 0.044 0.000 0.828 124 D CB -0.521 40.295 40.800 0.027 0.000 0.963 124 D HN 0.300 8.670 8.370 -0.000 0.000 0.450 125 F N 1.754 121.666 119.950 -0.062 0.000 2.134 125 F HA -0.151 4.380 4.527 0.007 0.000 0.299 125 F C 2.285 178.060 175.800 -0.042 0.000 1.097 125 F CA 1.207 59.167 58.000 -0.067 0.000 1.264 125 F CB -0.318 38.631 39.000 -0.084 0.000 1.001 125 F HN -0.178 8.122 8.300 -0.000 0.000 0.479 126 E N 0.594 120.755 120.200 -0.065 0.000 2.233 126 E HA -0.235 4.119 4.350 0.007 0.000 0.199 126 E C 1.665 178.170 176.600 -0.158 0.000 1.004 126 E CA 1.521 57.840 56.400 -0.135 0.000 0.819 126 E CB -0.259 29.419 29.700 -0.036 0.000 0.738 126 E HN 0.441 8.801 8.360 -0.000 0.000 0.478 127 K N -0.619 119.712 120.400 -0.115 0.000 2.444 127 K HA 0.107 4.431 4.320 0.007 0.000 0.193 127 K C -0.264 176.273 176.600 -0.105 0.000 1.024 127 K CA -0.063 56.173 56.287 -0.084 0.000 1.077 127 K CB 0.785 33.264 32.500 -0.036 0.000 0.833 127 K HN -0.058 8.192 8.250 -0.000 0.000 0.517 128 V N 2.437 122.235 119.914 -0.193 0.000 2.498 128 V HA -0.003 4.121 4.120 0.007 0.000 0.279 128 V C 0.060 176.076 176.094 -0.130 0.000 1.048 128 V CA -0.715 61.499 62.300 -0.142 0.000 0.967 128 V CB 1.202 32.914 31.823 -0.185 0.000 0.988 128 V HN 0.134 8.324 8.190 -0.000 0.000 0.473 129 D N 4.402 124.761 120.400 -0.069 0.000 2.416 129 D HA 0.098 4.742 4.640 0.007 0.000 0.240 129 D C 1.087 177.301 176.300 -0.142 0.000 1.250 129 D CA 0.112 54.047 54.000 -0.108 0.000 0.967 129 D CB 0.365 41.091 40.800 -0.122 0.000 1.059 129 D HN 0.498 8.868 8.370 -0.000 0.000 0.512 130 L N 2.543 123.686 121.223 -0.134 0.000 2.642 130 L HA -0.116 4.228 4.340 0.007 0.000 0.236 130 L C 2.151 178.913 176.870 -0.181 0.000 1.169 130 L CA 1.084 55.839 54.840 -0.142 0.000 0.851 130 L CB -0.717 41.075 42.059 -0.446 0.000 0.968 130 L HN 0.438 8.668 8.230 -0.000 0.000 0.453 131 T N -3.648 110.806 114.554 -0.166 0.000 3.067 131 T HA -0.118 4.236 4.350 0.007 0.000 0.261 131 T C 1.574 176.161 174.700 -0.189 0.000 1.110 131 T CA 0.345 62.388 62.100 -0.096 0.000 1.113 131 T CB -0.055 68.794 68.868 -0.031 0.000 0.917 131 T HN 0.568 8.808 8.240 -0.000 0.000 0.499 132 Q N -0.050 119.485 119.800 -0.442 0.000 2.425 132 Q HA 0.237 4.581 4.340 0.007 0.000 0.204 132 Q C -0.586 175.130 176.000 -0.474 0.000 0.933 132 Q CA 0.014 55.503 55.803 -0.522 0.000 0.939 132 Q CB -0.258 28.076 28.738 -0.672 0.000 1.044 132 Q HN 0.503 8.773 8.270 -0.000 0.000 0.513 133 F N 1.921 121.878 119.950 0.010 0.000 2.436 133 F HA 0.317 4.848 4.527 0.007 0.000 0.340 133 F C 0.949 176.785 175.800 0.059 0.000 1.113 133 F CA -1.497 56.529 58.000 0.043 0.000 1.022 133 F CB 1.692 40.715 39.000 0.039 0.000 1.128 133 F HN -0.074 8.226 8.300 -0.000 0.000 0.466 134 K N 1.280 121.858 120.400 0.296 0.000 2.262 134 K HA 0.056 4.380 4.320 0.007 0.000 0.200 134 K C -0.030 176.735 176.600 0.275 0.000 1.049 134 K CA 0.468 56.894 56.287 0.232 0.000 0.979 134 K CB 0.783 33.411 32.500 0.215 0.000 0.773 134 K HN 0.515 8.765 8.250 -0.000 0.000 0.474 135 W N 1.048 122.427 121.300 0.132 0.000 3.022 135 W HA 0.531 5.186 4.660 -0.009 0.000 0.335 135 W C -1.882 174.671 176.519 0.056 0.000 1.133 135 W CA -1.345 56.055 57.345 0.092 0.000 1.219 135 W CB 1.566 31.076 29.460 0.084 0.000 1.409 135 W HN -0.149 8.031 8.180 -0.000 0.000 0.507 136 I N 4.892 125.576 120.570 0.189 0.000 2.468 136 I HA 0.060 4.234 4.170 0.007 0.000 0.284 136 I C -0.787 175.491 176.117 0.269 0.000 1.038 136 I CA -0.700 60.689 61.300 0.149 0.000 1.083 136 I CB 1.888 39.886 38.000 -0.003 0.000 1.223 136 I HN 0.314 8.524 8.210 -0.000 0.000 0.443 137 H N 7.373 126.596 119.070 0.255 0.000 2.467 137 H HA 0.592 5.151 4.556 0.005 0.000 0.326 137 H C -1.156 174.203 175.328 0.052 0.000 1.094 137 H CA -0.238 55.948 56.048 0.229 0.000 1.253 137 H CB 1.190 31.096 29.762 0.240 0.000 1.439 137 H HN 0.430 8.710 8.280 -0.000 0.000 0.479 138 I N 4.987 125.231 120.570 -0.543 0.000 2.382 138 I HA 0.120 4.294 4.170 0.007 0.000 0.286 138 I C -0.101 175.698 176.117 -0.530 0.000 1.002 138 I CA -0.681 60.342 61.300 -0.462 0.000 1.135 138 I CB 1.457 39.265 38.000 -0.320 0.000 1.288 138 I HN 0.672 8.882 8.210 -0.000 0.000 0.448 139 E N 6.010 125.989 120.200 -0.370 0.000 2.220 139 E HA 0.170 4.524 4.350 0.007 0.000 0.272 139 E C 0.410 176.948 176.600 -0.103 0.000 1.099 139 E CA -0.455 55.847 56.400 -0.163 0.000 0.907 139 E CB 0.898 30.582 29.700 -0.027 0.000 1.022 139 E HN 0.786 9.146 8.360 -0.000 0.000 0.428 140 G N 4.629 113.398 108.800 -0.052 0.000 2.255 140 G HA2 -0.046 3.918 3.960 0.007 0.000 0.267 140 G HA3 -0.046 3.918 3.960 0.007 0.000 0.267 140 G C 0.213 175.109 174.900 -0.007 0.000 1.177 140 G CA -0.008 45.082 45.100 -0.017 0.000 1.027 140 G HN 0.755 9.045 8.290 -0.000 0.000 0.437 141 R N 1.867 122.347 120.500 -0.032 0.000 4.494 141 R HA 0.066 4.410 4.340 0.007 0.000 0.124 141 R C 0.168 176.448 176.300 -0.033 0.000 1.588 141 R CA -0.111 55.973 56.100 -0.027 0.000 1.083 141 R CB 0.096 30.374 30.300 -0.038 0.000 1.313 141 R HN 0.537 8.807 8.270 -0.000 0.000 0.426 142 N N 1.719 120.388 118.700 -0.052 0.000 2.663 142 N HA 0.148 4.892 4.740 0.007 0.000 0.250 142 N C 0.205 175.680 175.510 -0.057 0.000 1.129 142 N CA 0.421 53.440 53.050 -0.052 0.000 0.995 142 N CB 1.314 39.766 38.487 -0.057 0.000 1.324 142 N HN 0.468 8.848 8.380 -0.000 0.000 0.512 143 A N 2.838 125.636 122.820 -0.036 0.000 1.834 143 A HA -0.245 4.079 4.320 0.007 0.000 0.216 143 A C 2.245 179.803 177.584 -0.045 0.000 1.203 143 A CA 2.257 54.278 52.037 -0.027 0.000 0.621 143 A CB -1.255 17.753 19.000 0.014 0.000 0.841 143 A HN 0.722 8.872 8.150 -0.000 0.000 0.446 144 S N -0.141 115.541 115.700 -0.031 0.000 2.392 144 S HA -0.267 4.207 4.470 0.007 0.000 0.232 144 S C 1.712 176.279 174.600 -0.056 0.000 1.041 144 S CA 1.893 60.074 58.200 -0.033 0.000 1.026 144 S CB -0.417 62.771 63.200 -0.019 0.000 0.845 144 S HN 0.599 8.909 8.310 -0.000 0.000 0.465 145 E N 1.325 121.488 120.200 -0.063 0.000 2.216 145 E HA 0.009 4.363 4.350 0.007 0.000 0.192 145 E C 2.200 178.730 176.600 -0.117 0.000 0.988 145 E CA 0.965 57.321 56.400 -0.073 0.000 0.834 145 E CB -0.287 29.376 29.700 -0.062 0.000 0.772 145 E HN 0.748 9.108 8.360 -0.000 0.000 0.479 146 Q N -0.696 119.016 119.800 -0.147 0.000 2.212 146 Q HA -0.010 4.334 4.340 0.007 0.000 0.199 146 Q C 2.128 177.965 176.000 -0.272 0.000 0.950 146 Q CA 0.963 56.633 55.803 -0.221 0.000 0.863 146 Q CB 0.291 28.908 28.738 -0.202 0.000 0.944 146 Q HN 0.171 8.441 8.270 -0.000 0.000 0.465 147 V N 1.456 121.216 119.914 -0.257 0.000 2.332 147 V HA -0.305 3.819 4.120 0.007 0.000 0.248 147 V C 2.157 178.040 176.094 -0.351 0.000 1.055 147 V CA 1.854 63.898 62.300 -0.426 0.000 1.038 147 V CB -0.418 31.237 31.823 -0.280 0.000 0.651 147 V HN 0.280 8.470 8.190 -0.000 0.000 0.450 148 K N -0.533 119.757 120.400 -0.185 0.000 2.044 148 K HA -0.206 4.118 4.320 0.007 0.000 0.210 148 K C 2.174 178.736 176.600 -0.062 0.000 1.049 148 K CA 1.987 58.216 56.287 -0.097 0.000 0.927 148 K CB -0.258 32.215 32.500 -0.046 0.000 0.713 148 K HN 0.403 8.653 8.250 -0.000 0.000 0.443 149 M N 0.326 119.862 119.600 -0.107 0.000 2.202 149 M HA -0.197 4.287 4.480 0.007 0.000 0.262 149 M C 1.975 178.250 176.300 -0.043 0.000 1.063 149 M CA 1.434 56.691 55.300 -0.072 0.000 1.097 149 M CB -0.294 31.893 32.600 -0.688 0.000 1.382 149 M HN 0.139 8.429 8.290 -0.000 0.000 0.413 150 L N -0.187 120.914 121.223 -0.204 0.000 2.049 150 L HA -0.172 4.172 4.340 0.007 0.000 0.203 150 L C 2.803 179.632 176.870 -0.068 0.000 1.074 150 L CA 0.983 55.713 54.840 -0.184 0.000 0.749 150 L CB -0.761 41.056 42.059 -0.404 0.000 0.907 150 L HN 0.336 8.566 8.230 -0.000 0.000 0.439 151 Q N 0.052 119.786 119.800 -0.111 0.000 2.152 151 Q HA -0.292 4.052 4.340 0.007 0.000 0.206 151 Q C 2.188 178.220 176.000 0.054 0.000 0.985 151 Q CA 1.420 57.230 55.803 0.012 0.000 0.863 151 Q CB -0.555 28.188 28.738 0.008 0.000 0.904 151 Q HN 0.463 8.733 8.270 -0.000 0.000 0.422 152 R N 1.022 121.565 120.500 0.072 0.000 2.083 152 R HA -0.127 4.217 4.340 0.007 0.000 0.237 152 R C 2.273 178.641 176.300 0.114 0.000 1.137 152 R CA 1.360 57.522 56.100 0.103 0.000 0.951 152 R CB -0.216 30.179 30.300 0.159 0.000 0.851 152 R HN 0.308 8.578 8.270 -0.000 0.000 0.434 153 I N 0.902 121.556 120.570 0.140 0.000 2.252 153 I HA -0.256 3.918 4.170 0.007 0.000 0.245 153 I C 1.734 177.921 176.117 0.117 0.000 1.102 153 I CA 1.136 62.506 61.300 0.117 0.000 1.385 153 I CB -0.429 37.635 38.000 0.108 0.000 1.064 153 I HN 0.130 8.340 8.210 -0.000 0.000 0.414 154 D N 1.540 121.997 120.400 0.096 0.000 2.104 154 D HA -0.201 4.443 4.640 0.007 0.000 0.194 154 D C 2.282 178.632 176.300 0.085 0.000 0.994 154 D CA 1.729 55.782 54.000 0.087 0.000 0.830 154 D CB -0.416 40.440 40.800 0.094 0.000 0.959 154 D HN 0.352 8.722 8.370 -0.000 0.000 0.452 155 A N 0.773 123.644 122.820 0.085 0.000 1.859 155 A HA -0.323 4.001 4.320 0.007 0.000 0.218 155 A C 2.095 179.724 177.584 0.074 0.000 1.209 155 A CA 2.531 54.609 52.037 0.067 0.000 0.639 155 A CB -1.479 17.558 19.000 0.062 0.000 0.835 155 A HN 0.468 8.618 8.150 -0.000 0.000 0.450 156 H N -0.122 118.952 119.070 0.007 0.000 2.400 156 H HA -0.187 4.372 4.556 0.006 0.000 0.295 156 H C 1.942 177.270 175.328 0.000 0.000 1.118 156 H CA 2.367 58.414 56.048 -0.001 0.000 1.256 156 H CB -0.346 29.416 29.762 -0.000 0.000 1.365 156 H HN 0.686 8.966 8.280 -0.000 0.000 0.502 157 N N -1.223 117.553 118.700 0.126 0.000 2.216 157 N HA -0.122 4.622 4.740 0.007 0.000 0.183 157 N C 1.613 177.115 175.510 -0.013 0.000 1.017 157 N CA 1.318 54.407 53.050 0.065 0.000 0.861 157 N CB 0.017 38.551 38.487 0.079 0.000 0.986 157 N HN 0.548 8.928 8.380 -0.000 0.000 0.428 158 T N -1.067 113.482 114.554 -0.008 0.000 3.025 158 T HA -0.030 4.324 4.350 0.007 0.000 0.270 158 T C 1.211 175.883 174.700 -0.046 0.000 1.126 158 T CA 0.762 62.851 62.100 -0.019 0.000 1.105 158 T CB -0.101 68.764 68.868 -0.005 0.000 0.884 158 T HN 0.158 8.398 8.240 -0.000 0.000 0.522 159 R N 1.057 121.504 120.500 -0.089 0.000 2.696 159 R HA 0.329 4.673 4.340 0.007 0.000 0.355 159 R C -0.200 176.014 176.300 -0.144 0.000 1.138 159 R CA -0.251 55.782 56.100 -0.112 0.000 1.059 159 R CB 0.356 30.579 30.300 -0.128 0.000 1.380 159 R HN 0.418 8.688 8.270 -0.000 0.000 0.578 160 Q N 0.197 119.929 119.800 -0.113 0.000 2.456 160 Q HA 0.420 4.764 4.340 0.007 0.000 0.284 160 Q C -2.764 173.208 176.000 -0.047 0.000 1.061 160 Q CA -2.348 53.398 55.803 -0.095 0.000 0.799 160 Q CB 1.853 30.527 28.738 -0.108 0.000 1.445 160 Q HN -0.102 8.168 8.270 -0.000 0.000 0.411 161 P HA 0.094 4.514 4.420 -0.000 0.000 0.269 161 P C -1.909 175.384 177.300 -0.011 0.000 1.215 161 P CA -0.896 62.193 63.100 -0.019 0.000 0.780 161 P CB 0.012 31.703 31.700 -0.014 0.000 0.898 162 P HA -0.181 4.239 4.420 -0.000 0.000 0.219 162 P C 1.240 178.539 177.300 -0.000 0.000 1.146 162 P CA 1.239 64.335 63.100 -0.006 0.000 0.808 162 P CB -0.048 31.648 31.700 -0.006 0.000 0.779 163 E N -0.378 119.822 120.200 0.001 0.000 2.418 163 E HA -0.134 4.220 4.350 0.007 0.000 0.197 163 E C 1.004 177.612 176.600 0.014 0.000 1.026 163 E CA 0.866 57.270 56.400 0.006 0.000 0.862 163 E CB 0.054 29.756 29.700 0.004 0.000 0.799 163 E HN 0.340 8.700 8.360 -0.000 0.000 0.518 164 Q N 0.032 119.842 119.800 0.015 0.000 2.139 164 Q HA 0.159 4.503 4.340 0.007 0.000 0.219 164 Q C -0.377 175.656 176.000 0.054 0.000 0.805 164 Q CA -0.121 55.702 55.803 0.033 0.000 1.024 164 Q CB 1.073 29.825 28.738 0.023 0.000 1.163 164 Q HN 0.021 8.291 8.270 -0.000 0.000 0.485 165 K N 1.348 121.769 120.400 0.035 0.000 2.350 165 K HA 0.285 4.609 4.320 0.007 0.000 0.279 165 K C 0.027 176.644 176.600 0.029 0.000 1.027 165 K CA -0.064 56.248 56.287 0.042 0.000 0.969 165 K CB 1.117 33.621 32.500 0.007 0.000 0.954 165 K HN 0.051 8.301 8.250 -0.000 0.000 0.474 166 I N 4.556 125.154 120.570 0.046 0.000 2.363 166 I HA 0.039 4.213 4.170 0.007 0.000 0.292 166 I C 0.772 176.799 176.117 -0.151 0.000 1.075 166 I CA -0.294 61.001 61.300 -0.009 0.000 1.333 166 I CB 0.241 38.247 38.000 0.010 0.000 1.415 166 I HN 0.292 8.502 8.210 -0.000 0.000 0.502 167 R N 5.105 125.430 120.500 -0.292 0.000 2.590 167 R HA 0.371 4.715 4.340 0.007 0.000 0.274 167 R C -0.652 175.071 176.300 -0.962 0.000 1.061 167 R CA -0.212 55.470 56.100 -0.696 0.000 1.081 167 R CB 1.068 30.748 30.300 -1.034 0.000 0.984 167 R HN 0.331 8.601 8.270 -0.000 0.000 0.448 168 V N 1.924 121.363 119.914 -0.791 0.000 2.709 168 V HA 0.388 4.512 4.120 0.007 0.000 0.308 168 V C -0.212 175.751 176.094 -0.219 0.000 1.062 168 V CA -0.656 61.375 62.300 -0.449 0.000 0.901 168 V CB 2.147 33.857 31.823 -0.188 0.000 1.003 168 V HN 0.985 9.175 8.190 -0.000 0.000 0.425 169 S N 3.229 119.007 115.700 0.130 0.000 2.599 169 S HA 0.914 5.388 4.470 0.007 0.000 0.287 169 S C -1.220 173.558 174.600 0.298 0.000 1.105 169 S CA -0.800 57.635 58.200 0.392 0.000 0.899 169 S CB 2.222 65.969 63.200 0.911 0.000 1.100 169 S HN 0.469 8.779 8.310 -0.000 0.000 0.482 170 V N 1.211 121.290 119.914 0.274 0.000 2.760 170 V HA 0.556 4.680 4.120 0.007 0.000 0.309 170 V C -0.748 175.517 176.094 0.285 0.000 1.077 170 V CA -0.547 61.820 62.300 0.112 0.000 0.910 170 V CB 1.773 33.611 31.823 0.024 0.000 1.008 170 V HN 1.030 9.220 8.190 -0.000 0.000 0.424 171 E N 3.375 123.684 120.200 0.182 0.000 2.158 171 E HA 0.592 4.946 4.350 0.007 0.000 0.271 171 E C -1.652 175.020 176.600 0.119 0.000 0.911 171 E CA -0.477 56.076 56.400 0.255 0.000 0.767 171 E CB 1.990 31.854 29.700 0.275 0.000 1.120 171 E HN 0.451 8.811 8.360 -0.000 0.000 0.405 172 V N 5.732 125.711 119.914 0.109 0.000 2.257 172 V HA 0.136 4.260 4.120 0.007 0.000 0.269 172 V C 0.694 176.886 176.094 0.164 0.000 1.040 172 V CA -0.248 62.134 62.300 0.137 0.000 0.813 172 V CB 0.958 32.865 31.823 0.141 0.000 1.065 172 V HN 0.838 9.028 8.190 -0.000 0.000 0.457 173 E N 2.467 122.751 120.200 0.140 0.000 2.340 173 E HA 0.137 4.491 4.350 0.007 0.000 0.198 173 E C 0.326 176.982 176.600 0.095 0.000 0.961 173 E CA 0.137 56.602 56.400 0.109 0.000 0.905 173 E CB 0.614 30.361 29.700 0.078 0.000 0.884 173 E HN 0.444 8.804 8.360 -0.000 0.000 0.491 174 K N 1.394 121.856 120.400 0.102 0.000 2.156 174 K HA 0.226 4.550 4.320 0.007 0.000 0.271 174 K C -2.484 174.179 176.600 0.106 0.000 0.995 174 K CA -2.312 54.010 56.287 0.057 0.000 0.890 174 K CB 1.321 33.835 32.500 0.024 0.000 1.073 174 K HN -0.130 8.120 8.250 -0.000 0.000 0.454 175 P HA 0.009 4.429 4.420 -0.000 0.000 0.237 175 P C -1.057 176.230 177.300 -0.021 0.000 1.701 175 P CA 0.066 63.165 63.100 -0.002 0.000 0.955 175 P CB -0.023 31.313 31.700 -0.605 0.000 1.937 176 R N 1.258 121.761 120.500 0.005 0.000 2.409 176 R HA 0.174 4.518 4.340 0.007 0.000 0.313 176 R C 1.039 177.036 176.300 -0.504 0.000 0.953 176 R CA -0.527 55.467 56.100 -0.176 0.000 0.849 176 R CB 0.841 31.096 30.300 -0.075 0.000 1.171 176 R HN -0.070 8.200 8.270 -0.000 0.000 0.458 177 E N 3.042 122.831 120.200 -0.685 0.000 2.085 177 E HA -0.266 4.088 4.350 0.007 0.000 0.194 177 E C 0.831 177.092 176.600 -0.566 0.000 0.994 177 E CA 1.471 57.256 56.400 -1.025 0.000 0.801 177 E CB 0.259 29.628 29.700 -0.551 0.000 0.743 177 E HN 0.801 9.161 8.360 -0.000 0.000 0.453 178 E N 0.360 120.395 120.200 -0.274 0.000 2.147 178 E HA -0.218 4.136 4.350 0.007 0.000 0.199 178 E C 2.268 178.850 176.600 -0.029 0.000 1.005 178 E CA 1.041 57.372 56.400 -0.115 0.000 0.810 178 E CB -0.106 29.549 29.700 -0.075 0.000 0.736 178 E HN 0.289 8.649 8.360 -0.000 0.000 0.460 179 L N -0.226 120.995 121.223 -0.004 0.000 2.156 179 L HA -0.083 4.261 4.340 0.007 0.000 0.208 179 L C 2.316 179.449 176.870 0.439 0.000 1.095 179 L CA 0.653 55.611 54.840 0.196 0.000 0.770 179 L CB -0.453 41.755 42.059 0.249 0.000 0.914 179 L HN 0.214 8.444 8.230 -0.000 0.000 0.439 180 F N 1.010 121.054 119.950 0.158 0.000 2.373 180 F HA -0.259 4.276 4.527 0.014 0.000 0.300 180 F C 2.494 178.419 175.800 0.209 0.000 1.080 180 F CA 0.400 58.500 58.000 0.165 0.000 1.417 180 F CB -0.238 38.724 39.000 -0.064 0.000 1.070 180 F HN 0.403 8.703 8.300 -0.000 0.000 0.546 181 Q N -0.324 119.689 119.800 0.354 0.000 2.435 181 Q HA -0.085 4.259 4.340 0.007 0.000 0.207 181 Q C 1.513 177.736 176.000 0.371 0.000 0.956 181 Q CA 0.478 56.452 55.803 0.286 0.000 0.917 181 Q CB -0.232 28.630 28.738 0.206 0.000 0.997 181 Q HN 0.304 8.574 8.270 -0.000 0.000 0.497 182 L N 0.048 121.501 121.223 0.384 0.000 2.675 182 L HA 0.085 4.429 4.340 0.007 0.000 0.238 182 L C 1.048 178.102 176.870 0.306 0.000 1.155 182 L CA 0.881 55.928 54.840 0.345 0.000 0.881 182 L CB -0.938 41.241 42.059 0.200 0.000 1.008 182 L HN 0.210 8.440 8.230 -0.000 0.000 0.443 183 F N -0.589 119.431 119.950 0.117 0.000 2.293 183 F HA 0.220 4.751 4.527 0.005 0.000 0.297 183 F C 2.010 177.772 175.800 -0.063 0.000 1.089 183 F CA 1.092 59.106 58.000 0.023 0.000 1.377 183 F CB 0.221 39.219 39.000 -0.004 0.000 1.051 183 F HN 0.236 8.536 8.300 -0.000 0.000 0.511 184 G N -1.567 107.238 108.800 0.007 0.000 2.698 184 G HA2 -0.195 3.769 3.960 0.007 0.000 0.200 184 G HA3 -0.195 3.769 3.960 0.007 0.000 0.200 184 G C -0.437 174.191 174.900 -0.452 0.000 2.083 184 G CA -0.185 44.861 45.100 -0.090 0.000 1.629 184 G HN 0.186 8.476 8.290 -0.000 0.000 0.565 185 Y N 0.407 120.703 120.300 -0.006 0.000 2.665 185 Y HA 0.590 5.145 4.550 0.007 0.000 0.336 185 Y C 0.776 176.640 175.900 -0.060 0.000 1.085 185 Y CA -0.002 58.079 58.100 -0.032 0.000 1.096 185 Y CB 1.913 40.357 38.460 -0.027 0.000 1.301 185 Y HN 1.948 10.228 8.280 -0.000 0.000 0.493 186 G N 1.163 110.019 108.800 0.094 0.000 2.721 186 G HA2 -0.177 3.787 3.960 0.007 0.000 0.686 186 G HA3 -0.177 3.787 3.960 0.007 0.000 0.686 186 G C -0.348 174.519 174.900 -0.054 0.000 1.236 186 G CA -0.240 44.859 45.100 -0.002 0.000 0.786 186 G HN 0.679 8.969 8.290 -0.000 0.000 0.616 187 D N -0.833 119.508 120.400 -0.099 0.000 2.183 187 D HA 0.009 4.653 4.640 0.007 0.000 0.203 187 D C 1.252 177.512 176.300 -0.067 0.000 0.969 187 D CA 1.746 55.685 54.000 -0.102 0.000 0.842 187 D CB 0.368 41.060 40.800 -0.181 0.000 0.957 187 D HN 0.361 8.731 8.370 -0.000 0.000 0.484 188 V N 1.623 121.504 119.914 -0.055 0.000 2.531 188 V HA 0.276 4.400 4.120 0.007 0.000 0.301 188 V C -0.162 175.817 176.094 -0.191 0.000 1.034 188 V CA -0.753 61.488 62.300 -0.099 0.000 0.865 188 V CB 2.645 34.471 31.823 0.005 0.000 0.995 188 V HN -0.250 7.940 8.190 -0.000 0.000 0.424 189 V N 5.305 125.047 119.914 -0.286 0.000 2.409 189 V HA 0.512 4.636 4.120 0.007 0.000 0.291 189 V C -0.769 175.125 176.094 -0.332 0.000 1.020 189 V CA -0.451 61.685 62.300 -0.273 0.000 0.848 189 V CB 1.493 33.145 31.823 -0.285 0.000 0.990 189 V HN 0.676 8.866 8.190 -0.000 0.000 0.430 190 F N 4.196 124.157 119.950 0.017 0.000 2.405 190 F HA 0.576 5.118 4.527 0.025 0.000 0.355 190 F C 0.186 175.984 175.800 -0.003 0.000 1.121 190 F CA -0.514 57.530 58.000 0.073 0.000 1.112 190 F CB 1.701 40.797 39.000 0.161 0.000 1.126 190 F HN 0.294 8.594 8.300 -0.000 0.000 0.481 191 V N 4.331 124.355 119.914 0.183 0.000 2.495 191 V HA 0.601 4.725 4.120 0.007 0.000 0.298 191 V C -0.231 175.978 176.094 0.191 0.000 1.031 191 V CA -0.552 61.835 62.300 0.146 0.000 0.871 191 V CB 1.744 33.652 31.823 0.142 0.000 0.988 191 V HN 0.823 9.013 8.190 -0.000 0.000 0.432 192 S N 5.163 120.953 115.700 0.150 0.000 2.603 192 S HA 0.267 4.741 4.470 0.007 0.000 0.268 192 S C 1.134 175.751 174.600 0.029 0.000 1.317 192 S CA 0.172 58.419 58.200 0.078 0.000 1.012 192 S CB 1.189 64.415 63.200 0.043 0.000 0.926 192 S HN 0.955 9.265 8.310 -0.000 0.000 0.539 193 K N 0.851 121.161 120.400 -0.151 0.000 2.034 193 K HA -0.282 4.042 4.320 0.007 0.000 0.214 193 K C 1.543 177.974 176.600 -0.282 0.000 1.051 193 K CA 2.301 58.273 56.287 -0.525 0.000 0.931 193 K CB -0.623 31.286 32.500 -0.985 0.000 0.715 193 K HN 0.784 9.034 8.250 -0.000 0.000 0.446 194 D N 0.054 120.365 120.400 -0.148 0.000 2.106 194 D HA -0.169 4.475 4.640 0.007 0.000 0.191 194 D C 1.891 178.276 176.300 0.141 0.000 0.997 194 D CA 1.684 55.689 54.000 0.007 0.000 0.834 194 D CB -0.152 40.653 40.800 0.009 0.000 0.956 194 D HN 0.106 8.476 8.370 -0.000 0.000 0.448 195 V N 0.863 120.851 119.914 0.124 0.000 2.287 195 V HA -0.259 3.865 4.120 0.007 0.000 0.248 195 V C 2.623 178.855 176.094 0.231 0.000 1.053 195 V CA 1.996 64.407 62.300 0.186 0.000 1.027 195 V CB -1.078 30.855 31.823 0.183 0.000 0.646 195 V HN 0.351 8.541 8.190 -0.000 0.000 0.447 196 A N -0.412 122.558 122.820 0.250 0.000 1.892 196 A HA -0.296 4.028 4.320 0.007 0.000 0.218 196 A C 2.311 180.142 177.584 0.412 0.000 1.188 196 A CA 2.311 54.594 52.037 0.411 0.000 0.631 196 A CB -0.493 18.823 19.000 0.526 0.000 0.822 196 A HN 0.559 8.709 8.150 -0.000 0.000 0.447 197 K N -1.605 118.968 120.400 0.288 0.000 2.026 197 K HA -0.158 4.166 4.320 0.007 0.000 0.208 197 K C 1.883 178.554 176.600 0.119 0.000 1.048 197 K CA 1.610 58.023 56.287 0.209 0.000 0.929 197 K CB -0.335 32.233 32.500 0.113 0.000 0.713 197 K HN 0.636 8.886 8.250 -0.000 0.000 0.439 198 H N -0.208 118.912 119.070 0.083 0.000 2.557 198 H HA -0.031 4.528 4.556 0.005 0.000 0.287 198 H C 1.147 176.506 175.328 0.051 0.000 1.043 198 H CA 0.812 56.903 56.048 0.072 0.000 1.226 198 H CB 0.152 29.979 29.762 0.109 0.000 1.361 198 H HN 0.031 8.311 8.280 -0.000 0.000 0.592 199 L N -1.622 119.663 121.223 0.103 0.000 3.016 199 L HA 0.268 4.612 4.340 0.007 0.000 0.267 199 L C 1.190 177.832 176.870 -0.381 0.000 1.182 199 L CA 0.513 55.326 54.840 -0.045 0.000 0.997 199 L CB 0.755 42.828 42.059 0.024 0.000 1.354 199 L HN 0.404 8.634 8.230 -0.000 0.000 0.569 200 G N -0.670 107.961 108.800 -0.280 0.000 2.179 200 G HA2 -0.268 3.696 3.960 0.007 0.000 0.220 200 G HA3 -0.268 3.696 3.960 0.007 0.000 0.220 200 G C 0.004 174.714 174.900 -0.318 0.000 0.990 200 G CA -0.286 44.603 45.100 -0.352 0.000 0.646 200 G HN 0.118 8.408 8.290 -0.000 0.000 0.517 201 F N 0.691 120.706 119.950 0.109 0.000 2.397 201 F HA 0.667 5.208 4.527 0.024 0.000 0.331 201 F C 1.196 177.103 175.800 0.178 0.000 1.090 201 F CA -0.825 57.244 58.000 0.115 0.000 1.065 201 F CB 1.544 40.620 39.000 0.128 0.000 1.184 201 F HN -0.113 8.187 8.300 -0.000 0.000 0.499 202 Q N 0.572 120.539 119.800 0.278 0.000 2.217 202 Q HA 0.204 4.548 4.340 0.007 0.000 0.217 202 Q C -0.220 175.745 176.000 -0.058 0.000 0.844 202 Q CA 0.017 55.939 55.803 0.198 0.000 0.957 202 Q CB 0.612 29.416 28.738 0.110 0.000 1.127 202 Q HN 0.682 8.952 8.270 -0.000 0.000 0.503 203 S N -2.270 113.197 115.700 -0.389 0.000 2.615 203 S HA 0.719 5.193 4.470 0.007 0.000 0.269 203 S C 0.584 174.555 174.600 -1.049 0.000 1.161 203 S CA -0.279 57.252 58.200 -1.115 0.000 0.817 203 S CB 1.174 64.011 63.200 -0.605 0.000 1.131 203 S HN -0.033 8.277 8.310 -0.000 0.000 0.467 204 A N 1.099 123.262 122.820 -1.095 0.000 1.902 204 A HA -0.094 4.230 4.320 0.007 0.000 0.217 204 A C 1.955 179.427 177.584 -0.186 0.000 1.181 204 A CA 2.170 54.018 52.037 -0.315 0.000 0.623 204 A CB -1.454 17.509 19.000 -0.062 0.000 0.818 204 A HN 1.091 9.241 8.150 -0.000 0.000 0.443 205 E N 0.053 120.118 120.200 -0.225 0.000 2.077 205 E HA -0.205 4.149 4.350 0.007 0.000 0.193 205 E C 1.836 178.331 176.600 -0.174 0.000 0.989 205 E CA 1.480 57.786 56.400 -0.156 0.000 0.800 205 E CB -0.531 29.076 29.700 -0.154 0.000 0.746 205 E HN 0.693 9.053 8.360 -0.000 0.000 0.452 206 E N 0.469 120.548 120.200 -0.201 0.000 2.058 206 E HA -0.232 4.122 4.350 0.007 0.000 0.194 206 E C 2.116 178.430 176.600 -0.476 0.000 0.997 206 E CA 1.250 57.537 56.400 -0.189 0.000 0.801 206 E CB -0.235 29.434 29.700 -0.052 0.000 0.746 206 E HN 0.418 8.778 8.360 -0.000 0.000 0.450 207 A N 0.927 123.457 122.820 -0.485 0.000 1.902 207 A HA -0.156 4.168 4.320 0.007 0.000 0.217 207 A C 2.186 179.475 177.584 -0.491 0.000 1.181 207 A CA 0.979 52.551 52.037 -0.776 0.000 0.623 207 A CB -0.622 18.326 19.000 -0.087 0.000 0.818 207 A HN 0.214 8.364 8.150 -0.000 0.000 0.443 208 L N -1.050 120.047 121.223 -0.209 0.000 2.012 208 L HA -0.202 4.142 4.340 0.007 0.000 0.210 208 L C 2.872 179.699 176.870 -0.071 0.000 1.073 208 L CA 1.255 56.054 54.840 -0.068 0.000 0.748 208 L CB -0.549 41.499 42.059 -0.017 0.000 0.891 208 L HN 0.293 8.523 8.230 -0.000 0.000 0.431 209 R N 0.129 120.545 120.500 -0.141 0.000 2.096 209 R HA -0.084 4.260 4.340 0.007 0.000 0.235 209 R C 2.127 178.377 176.300 -0.084 0.000 1.127 209 R CA 1.408 57.452 56.100 -0.093 0.000 0.968 209 R CB -1.058 29.186 30.300 -0.094 0.000 0.861 209 R HN 0.423 8.693 8.270 -0.000 0.000 0.440 210 G N -0.505 108.135 108.800 -0.267 0.000 2.777 210 G HA2 0.022 3.986 3.960 0.007 0.000 0.211 210 G HA3 0.022 3.986 3.960 0.007 0.000 0.211 210 G C 1.263 176.139 174.900 -0.040 0.000 1.149 210 G CA -0.118 44.881 45.100 -0.168 0.000 0.785 210 G HN 0.197 8.487 8.290 -0.000 0.000 0.536 211 L N -1.461 119.715 121.223 -0.078 0.000 2.817 211 L HA 0.321 4.665 4.340 0.007 0.000 0.248 211 L C 1.921 178.857 176.870 0.111 0.000 1.133 211 L CA -0.290 54.575 54.840 0.043 0.000 0.935 211 L CB 0.166 42.297 42.059 0.119 0.000 1.266 211 L HN 0.122 8.352 8.230 -0.000 0.000 0.535 212 Y N 1.595 121.901 120.300 0.010 0.000 2.274 212 Y HA -0.135 4.436 4.550 0.034 0.000 0.290 212 Y C 2.250 178.170 175.900 0.034 0.000 1.145 212 Y CA 1.549 59.664 58.100 0.026 0.000 1.203 212 Y CB -0.170 38.288 38.460 -0.003 0.000 0.984 212 Y HN 0.137 8.417 8.280 -0.000 0.000 0.533 213 G N -0.137 108.697 108.800 0.056 0.000 2.501 213 G HA2 -0.233 3.731 3.960 0.007 0.000 0.220 213 G HA3 -0.233 3.731 3.960 0.007 0.000 0.220 213 G C 1.665 176.524 174.900 -0.068 0.000 1.114 213 G CA 0.596 45.696 45.100 0.000 0.000 0.757 213 G HN 0.380 8.670 8.290 -0.000 0.000 0.559 214 R N -0.187 120.275 120.500 -0.063 0.000 2.300 214 R HA 0.148 4.492 4.340 0.007 0.000 0.199 214 R C 0.768 177.051 176.300 -0.029 0.000 0.920 214 R CA 0.140 56.222 56.100 -0.029 0.000 1.046 214 R CB 0.191 30.470 30.300 -0.035 0.000 0.984 214 R HN 0.390 8.660 8.270 -0.000 0.000 0.493 215 V N -0.076 119.733 119.914 -0.176 0.000 2.567 215 V HA 0.315 4.439 4.120 0.007 0.000 0.289 215 V C 0.345 176.291 176.094 -0.247 0.000 1.049 215 V CA -1.337 60.826 62.300 -0.227 0.000 0.969 215 V CB 1.354 32.954 31.823 -0.372 0.000 0.995 215 V HN 0.140 8.330 8.190 -0.000 0.000 0.471 216 R N 3.202 123.581 120.500 -0.201 0.000 2.644 216 R HA -0.032 4.312 4.340 0.007 0.000 0.265 216 R C 0.440 176.655 176.300 -0.142 0.000 0.985 216 R CA 0.366 56.361 56.100 -0.176 0.000 1.097 216 R CB 0.295 30.499 30.300 -0.160 0.000 0.931 216 R HN 0.992 9.262 8.270 -0.000 0.000 0.419 217 K N 2.960 123.304 120.400 -0.094 0.000 2.484 217 K HA 0.039 4.363 4.320 0.007 0.000 0.280 217 K C 0.485 177.075 176.600 -0.016 0.000 1.013 217 K CA 0.985 57.247 56.287 -0.042 0.000 1.029 217 K CB 0.168 32.655 32.500 -0.022 0.000 0.902 217 K HN 0.859 9.109 8.250 -0.000 0.000 0.481 218 G N 1.738 110.559 108.800 0.035 0.000 2.157 218 G HA2 -0.267 3.697 3.960 0.007 0.000 0.248 218 G HA3 -0.267 3.697 3.960 0.007 0.000 0.248 218 G C 0.087 175.017 174.900 0.050 0.000 0.979 218 G CA 0.090 45.220 45.100 0.050 0.000 0.650 218 G HN 0.951 9.241 8.290 -0.000 0.000 0.529 219 A N -0.677 122.165 122.820 0.036 0.000 2.271 219 A HA 0.811 5.135 4.320 0.007 0.000 0.288 219 A C 0.287 177.939 177.584 0.113 0.000 1.094 219 A CA 0.053 52.096 52.037 0.010 0.000 0.828 219 A CB 1.409 20.360 19.000 -0.082 0.000 1.091 219 A HN 1.131 9.281 8.150 -0.000 0.000 0.493 220 V N 2.088 122.038 119.914 0.061 0.000 2.370 220 V HA 0.287 4.411 4.120 0.007 0.000 0.283 220 V C -0.031 176.084 176.094 0.035 0.000 1.023 220 V CA -0.371 61.984 62.300 0.093 0.000 0.857 220 V CB 1.161 33.005 31.823 0.036 0.000 0.985 220 V HN 0.743 8.933 8.190 -0.000 0.000 0.443 221 L N 5.947 127.253 121.223 0.139 0.000 2.276 221 L HA 0.579 4.923 4.340 0.007 0.000 0.286 221 L C -0.819 176.081 176.870 0.050 0.000 1.061 221 L CA -0.242 54.639 54.840 0.068 0.000 0.807 221 L CB 1.606 43.788 42.059 0.205 0.000 1.177 221 L HN 0.434 8.664 8.230 -0.000 0.000 0.429 222 V N 4.081 123.991 119.914 -0.006 0.000 2.540 222 V HA 0.334 4.458 4.120 0.007 0.000 0.302 222 V C -0.534 175.708 176.094 0.248 0.000 1.035 222 V CA -0.651 61.719 62.300 0.118 0.000 0.873 222 V CB 1.797 33.654 31.823 0.057 0.000 0.992 222 V HN 0.871 9.061 8.190 -0.000 0.000 0.428 223 C N 5.392 124.855 119.300 0.272 0.000 2.442 223 C HA 0.846 5.310 4.460 0.007 0.000 0.335 223 C C 0.503 175.630 174.990 0.227 0.000 1.134 223 C CA -0.355 58.828 59.018 0.274 0.000 1.344 223 C CB -0.126 27.776 27.740 0.270 0.000 1.956 223 C HN 1.108 9.338 8.230 -0.000 0.000 0.438 224 A N 5.011 127.878 122.820 0.078 0.000 2.302 224 A HA 0.691 5.015 4.320 0.007 0.000 0.285 224 A C -0.223 177.397 177.584 0.060 0.000 1.105 224 A CA -0.324 51.595 52.037 -0.197 0.000 0.816 224 A CB 0.478 18.998 19.000 -0.800 0.000 1.067 224 A HN 1.073 9.223 8.150 -0.000 0.000 0.489 225 W N 1.731 122.947 121.300 -0.140 0.000 1.055 225 W HA 0.425 5.087 4.660 0.003 0.000 0.287 225 W C 0.488 176.976 176.519 -0.051 0.000 0.855 225 W CA 0.225 57.538 57.345 -0.053 0.000 2.144 225 W CB 0.178 29.639 29.460 0.000 0.000 1.405 225 W HN 1.406 9.586 8.180 -0.000 0.000 0.490 226 A N 1.469 124.277 122.820 -0.021 0.000 5.391 226 A HA -0.394 3.930 4.320 0.007 0.000 0.315 226 A C 1.495 179.111 177.584 0.053 0.000 1.874 226 A CA 2.148 54.172 52.037 -0.023 0.000 0.714 226 A CB -1.389 17.575 19.000 -0.059 0.000 1.335 226 A HN 0.460 8.610 8.150 -0.000 0.000 0.382 227 E N 0.773 121.014 120.200 0.069 0.000 2.472 227 E HA -0.095 4.259 4.350 0.007 0.000 0.200 227 E C 1.220 177.887 176.600 0.111 0.000 1.046 227 E CA 1.393 57.838 56.400 0.075 0.000 0.871 227 E CB -0.267 29.467 29.700 0.056 0.000 0.806 227 E HN 0.722 9.082 8.360 -0.000 0.000 0.533 228 E N 0.833 121.142 120.200 0.182 0.000 2.489 228 E HA 0.151 4.505 4.350 0.007 0.000 0.193 228 E C 0.700 177.428 176.600 0.215 0.000 1.057 228 E CA 0.630 57.151 56.400 0.202 0.000 0.866 228 E CB 0.014 29.889 29.700 0.292 0.000 0.916 228 E HN 0.397 8.757 8.360 -0.000 0.000 0.500 229 G N -0.103 108.787 108.800 0.150 0.000 2.598 229 G HA2 -0.087 3.877 3.960 0.007 0.000 0.244 229 G HA3 -0.087 3.877 3.960 0.007 0.000 0.244 229 G C -0.169 174.778 174.900 0.080 0.000 1.302 229 G CA -0.446 44.706 45.100 0.088 0.000 0.903 229 G HN 0.661 8.951 8.290 -0.000 0.000 0.575 230 A N -0.760 122.076 122.820 0.026 0.000 2.515 230 A HA 0.796 5.120 4.320 0.007 0.000 0.296 230 A C -0.989 176.685 177.584 0.149 0.000 1.094 230 A CA 0.271 52.353 52.037 0.076 0.000 0.718 230 A CB 2.003 21.012 19.000 0.014 0.000 1.307 230 A HN 0.926 9.076 8.150 -0.000 0.000 0.408 231 D N -0.568 119.952 120.400 0.200 0.000 2.575 231 D HA 0.737 5.381 4.640 0.007 0.000 0.236 231 D C -0.303 176.100 176.300 0.172 0.000 1.075 231 D CA 0.263 54.376 54.000 0.188 0.000 0.860 231 D CB 2.075 42.964 40.800 0.148 0.000 1.475 231 D HN 0.879 9.249 8.370 -0.000 0.000 0.474 232 A N 1.091 123.990 122.820 0.132 0.000 2.469 232 A HA 0.829 5.153 4.320 0.007 0.000 0.299 232 A C -1.900 175.716 177.584 0.053 0.000 1.098 232 A CA -0.586 51.515 52.037 0.106 0.000 0.737 232 A CB 1.357 20.421 19.000 0.106 0.000 1.312 232 A HN 0.450 8.600 8.150 -0.000 0.000 0.414 233 L N 0.915 122.161 121.223 0.039 0.000 2.516 233 L HA 0.724 5.068 4.340 0.007 0.000 0.267 233 L C 0.155 176.990 176.870 -0.058 0.000 0.957 233 L CA 0.348 55.156 54.840 -0.054 0.000 0.860 233 L CB 1.543 43.537 42.059 -0.108 0.000 1.265 233 L HN 1.072 9.302 8.230 -0.000 0.000 0.403 234 G N 3.749 112.485 108.800 -0.108 0.000 2.753 234 G HA2 0.564 4.528 3.960 0.007 0.000 0.285 234 G HA3 0.564 4.528 3.960 0.007 0.000 0.285 234 G C -2.225 172.586 174.900 -0.148 0.000 1.344 234 G CA -1.073 44.007 45.100 -0.033 0.000 1.050 234 G HN 0.490 8.780 8.290 -0.000 0.000 0.532 235 P HA -0.069 4.351 4.420 -0.000 0.000 0.216 235 P C 1.181 178.446 177.300 -0.058 0.000 1.150 235 P CA 1.530 64.650 63.100 0.033 0.000 0.837 235 P CB 0.075 31.817 31.700 0.070 0.000 0.786 236 D N -1.250 119.113 120.400 -0.061 0.000 2.392 236 D HA -0.012 4.632 4.640 0.007 0.000 0.228 236 D C 1.477 177.723 176.300 -0.090 0.000 1.003 236 D CA 0.980 54.946 54.000 -0.057 0.000 0.917 236 D CB -1.202 39.577 40.800 -0.036 0.000 0.890 236 D HN 0.264 8.634 8.370 -0.000 0.000 0.532 237 G N -0.036 108.666 108.800 -0.163 0.000 2.184 237 G HA2 -0.353 3.611 3.960 0.007 0.000 0.264 237 G HA3 -0.353 3.611 3.960 0.007 0.000 0.264 237 G C 0.293 175.110 174.900 -0.139 0.000 0.975 237 G CA 0.400 45.390 45.100 -0.183 0.000 0.642 237 G HN 0.635 8.925 8.290 -0.000 0.000 0.536 238 K N 0.724 121.060 120.400 -0.106 0.000 2.285 238 K HA 0.610 4.934 4.320 0.007 0.000 0.286 238 K C 0.299 176.860 176.600 -0.063 0.000 1.072 238 K CA -1.055 55.191 56.287 -0.069 0.000 0.913 238 K CB 0.566 33.042 32.500 -0.040 0.000 1.067 238 K HN 0.317 8.567 8.250 -0.000 0.000 0.479 239 L N 6.402 127.593 121.223 -0.054 0.000 2.477 239 L HA 0.245 4.589 4.340 0.007 0.000 0.272 239 L C -1.096 175.782 176.870 0.012 0.000 1.157 239 L CA 0.511 55.333 54.840 -0.031 0.000 0.889 239 L CB -0.066 41.971 42.059 -0.037 0.000 1.158 239 L HN 0.628 8.858 8.230 -0.000 0.000 0.473 240 L N 5.502 126.748 121.223 0.039 0.000 2.322 240 L HA 0.480 4.824 4.340 0.007 0.000 0.279 240 L C -0.669 176.287 176.870 0.143 0.000 1.036 240 L CA -0.806 54.081 54.840 0.078 0.000 0.807 240 L CB 1.437 43.536 42.059 0.066 0.000 1.226 240 L HN 0.673 8.903 8.230 -0.000 0.000 0.433 241 H N 1.176 120.271 119.070 0.042 0.000 2.768 241 H HA 0.577 5.128 4.556 -0.008 0.000 0.371 241 H C -1.272 174.104 175.328 0.081 0.000 1.151 241 H CA -0.446 55.633 56.048 0.052 0.000 1.165 241 H CB 2.213 31.986 29.762 0.018 0.000 1.722 241 H HN 0.503 8.783 8.280 -0.000 0.000 0.543 242 S N 3.227 118.481 115.700 -0.744 0.000 2.594 242 S HA 0.297 4.771 4.470 0.007 0.000 0.296 242 S C -1.187 173.006 174.600 -0.679 0.000 1.124 242 S CA -0.924 56.982 58.200 -0.489 0.000 1.011 242 S CB 0.698 63.873 63.200 -0.042 0.000 1.016 242 S HN 0.733 9.043 8.310 -0.000 0.000 0.485 243 D N 2.978 123.167 120.400 -0.351 0.000 2.400 243 D HA 0.458 5.102 4.640 0.007 0.000 0.238 243 D C 0.666 176.931 176.300 -0.059 0.000 1.157 243 D CA 0.455 54.380 54.000 -0.125 0.000 0.889 243 D CB 0.893 41.641 40.800 -0.087 0.000 1.199 243 D HN 0.758 9.128 8.370 -0.000 0.000 0.436 244 A N 1.406 124.233 122.820 0.012 0.000 2.386 244 A HA 0.303 4.627 4.320 0.007 0.000 0.246 244 A C -0.215 177.412 177.584 0.072 0.000 1.089 244 A CA -0.081 52.024 52.037 0.115 0.000 0.790 244 A CB 0.063 19.114 19.000 0.085 0.000 1.042 244 A HN 0.565 8.715 8.150 -0.000 0.000 0.497 245 F N 1.458 121.412 119.950 0.006 0.000 2.438 245 F HA 0.255 4.781 4.527 -0.001 0.000 0.315 245 F C -1.850 173.949 175.800 -0.003 0.000 1.258 245 F CA -1.694 56.307 58.000 0.003 0.000 1.180 245 F CB 0.941 39.939 39.000 -0.002 0.000 1.412 245 F HN 0.337 8.637 8.300 -0.000 0.000 0.544 246 P HA 0.063 4.483 4.420 -0.000 0.000 0.267 246 P C -2.440 174.898 177.300 0.062 0.000 1.205 246 P CA -0.901 62.241 63.100 0.070 0.000 0.765 246 P CB 0.291 32.013 31.700 0.036 0.000 0.828 247 P HA 0.165 4.585 4.420 -0.000 0.000 0.271 247 P C -2.012 175.300 177.300 0.020 0.000 1.218 247 P CA -1.409 61.710 63.100 0.032 0.000 0.780 247 P CB -0.171 31.537 31.700 0.013 0.000 0.901 248 P HA -0.058 4.362 4.420 -0.000 0.000 0.215 248 P C 0.478 177.782 177.300 0.006 0.000 1.153 248 P CA 1.464 64.571 63.100 0.011 0.000 0.853 248 P CB 0.199 31.905 31.700 0.010 0.000 0.788 249 R N -0.110 120.392 120.500 0.003 0.000 2.275 249 R HA 0.315 4.659 4.340 0.007 0.000 0.326 249 R C -1.192 175.104 176.300 -0.006 0.000 0.973 249 R CA -0.478 55.621 56.100 -0.001 0.000 0.854 249 R CB 0.485 30.783 30.300 -0.003 0.000 1.156 249 R HN -0.192 8.078 8.270 -0.000 0.000 0.487 250 V N 6.084 125.994 119.914 -0.007 0.000 2.446 250 V HA 0.014 4.138 4.120 0.007 0.000 0.276 250 V C 1.167 177.249 176.094 -0.019 0.000 1.030 250 V CA 0.125 62.417 62.300 -0.014 0.000 1.033 250 V CB 0.929 32.745 31.823 -0.012 0.000 0.993 250 V HN 0.748 8.938 8.190 -0.000 0.000 0.477 251 V N 0.326 120.222 119.914 -0.029 0.000 3.572 251 V HA 0.456 4.580 4.120 0.007 0.000 0.260 251 V C 0.287 176.356 176.094 -0.042 0.000 1.324 251 V CA 0.602 62.884 62.300 -0.031 0.000 1.068 251 V CB 0.704 32.508 31.823 -0.030 0.000 0.837 251 V HN 0.801 8.991 8.190 -0.000 0.000 0.450 252 D N 0.868 121.232 120.400 -0.060 0.000 2.296 252 D HA 0.187 4.831 4.640 0.007 0.000 0.224 252 D C 0.539 176.779 176.300 -0.100 0.000 1.324 252 D CA 0.655 54.606 54.000 -0.081 0.000 0.940 252 D CB 1.030 41.766 40.800 -0.107 0.000 1.492 252 D HN 0.275 8.645 8.370 -0.000 0.000 0.531 253 T N 0.834 115.343 114.554 -0.076 0.000 3.144 253 T HA 0.147 4.501 4.350 0.007 0.000 0.249 253 T C 0.916 175.575 174.700 -0.069 0.000 1.089 253 T CA -0.372 61.685 62.100 -0.071 0.000 0.989 253 T CB -0.180 68.656 68.868 -0.053 0.000 0.992 253 T HN 0.232 8.472 8.240 -0.000 0.000 0.540 254 L N 2.519 123.692 121.223 -0.083 0.000 2.500 254 L HA 0.523 4.867 4.340 0.007 0.000 0.272 254 L C 1.233 178.076 176.870 -0.045 0.000 1.149 254 L CA 1.267 56.074 54.840 -0.055 0.000 0.897 254 L CB -0.498 41.530 42.059 -0.052 0.000 1.178 254 L HN 0.534 8.764 8.230 -0.000 0.000 0.473 255 G N 3.104 111.935 108.800 0.052 0.000 2.143 255 G HA2 -0.302 3.662 3.960 0.007 0.000 0.249 255 G HA3 -0.302 3.662 3.960 0.007 0.000 0.249 255 G C 0.939 175.929 174.900 0.149 0.000 0.981 255 G CA 0.523 45.734 45.100 0.185 0.000 0.665 255 G HN 1.264 9.554 8.290 -0.000 0.000 0.528 256 A N 0.182 123.027 122.820 0.042 0.000 1.877 256 A HA 0.291 4.615 4.320 0.007 0.000 0.216 256 A C 2.814 180.436 177.584 0.063 0.000 1.186 256 A CA 2.331 54.388 52.037 0.034 0.000 0.620 256 A CB -1.018 17.975 19.000 -0.012 0.000 0.822 256 A HN 1.618 9.768 8.150 -0.000 0.000 0.443 257 G N -0.185 108.639 108.800 0.040 0.000 2.422 257 G HA2 -0.235 3.729 3.960 0.007 0.000 0.218 257 G HA3 -0.235 3.729 3.960 0.007 0.000 0.218 257 G C 1.085 176.017 174.900 0.053 0.000 1.146 257 G CA 1.229 46.360 45.100 0.052 0.000 0.769 257 G HN 0.500 8.790 8.290 -0.000 0.000 0.547 258 D N 0.283 120.702 120.400 0.033 0.000 2.183 258 D HA -0.055 4.589 4.640 0.007 0.000 0.203 258 D C 2.628 178.895 176.300 -0.055 0.000 0.969 258 D CA 1.274 55.258 54.000 -0.028 0.000 0.842 258 D CB -0.512 40.287 40.800 -0.002 0.000 0.957 258 D HN 0.220 8.589 8.370 -0.000 0.000 0.484 259 T N 0.760 115.340 114.554 0.043 0.000 2.777 259 T HA -0.128 4.226 4.350 0.007 0.000 0.266 259 T C 1.687 176.364 174.700 -0.038 0.000 1.040 259 T CA 0.568 62.679 62.100 0.018 0.000 1.141 259 T CB -0.390 68.540 68.868 0.102 0.000 0.868 259 T HN 0.137 8.377 8.240 -0.000 0.000 0.444 260 F N 3.161 123.035 119.950 -0.126 0.000 2.075 260 F HA -0.133 4.386 4.527 -0.013 0.000 0.297 260 F C 2.045 177.726 175.800 -0.199 0.000 1.113 260 F CA 1.195 59.118 58.000 -0.129 0.000 1.218 260 F CB -0.455 38.501 39.000 -0.075 0.000 0.984 260 F HN 0.023 8.323 8.300 -0.000 0.000 0.472 261 N N 1.179 119.643 118.700 -0.393 0.000 2.069 261 N HA -0.203 4.541 4.740 0.007 0.000 0.191 261 N C 2.059 177.196 175.510 -0.622 0.000 1.031 261 N CA 1.703 54.219 53.050 -0.888 0.000 0.852 261 N CB -1.120 36.750 38.487 -1.029 0.000 1.018 261 N HN 0.460 8.840 8.380 -0.000 0.000 0.423 262 A N 0.702 123.270 122.820 -0.420 0.000 1.877 262 A HA -0.097 4.227 4.320 0.007 0.000 0.216 262 A C 2.527 179.986 177.584 -0.209 0.000 1.186 262 A CA 1.886 53.738 52.037 -0.309 0.000 0.620 262 A CB -0.782 18.081 19.000 -0.230 0.000 0.822 262 A HN 0.289 8.439 8.150 -0.000 0.000 0.443 263 S N -0.599 114.986 115.700 -0.193 0.000 2.383 263 S HA -0.099 4.375 4.470 0.007 0.000 0.227 263 S C 1.862 176.491 174.600 0.048 0.000 1.026 263 S CA 1.281 59.460 58.200 -0.036 0.000 0.981 263 S CB -0.360 62.700 63.200 -0.232 0.000 0.818 263 S HN 0.332 8.642 8.310 -0.000 0.000 0.472 264 V N 1.936 121.721 119.914 -0.215 0.000 2.358 264 V HA -0.144 3.980 4.120 0.007 0.000 0.246 264 V C 2.018 178.034 176.094 -0.129 0.000 1.047 264 V CA 1.458 63.666 62.300 -0.153 0.000 1.035 264 V CB -0.568 31.132 31.823 -0.205 0.000 0.658 264 V HN 0.444 8.634 8.190 -0.000 0.000 0.452 265 I N -0.872 119.552 120.570 -0.243 0.000 2.202 265 I HA -0.248 3.926 4.170 0.007 0.000 0.242 265 I C 2.320 178.083 176.117 -0.590 0.000 1.091 265 I CA 1.866 62.785 61.300 -0.636 0.000 1.368 265 I CB -0.425 37.120 38.000 -0.758 0.000 1.058 265 I HN 0.340 8.550 8.210 -0.000 0.000 0.410 266 F N 1.031 120.745 119.950 -0.393 0.000 2.095 266 F HA -0.300 4.230 4.527 0.006 0.000 0.298 266 F C 2.768 178.438 175.800 -0.217 0.000 1.104 266 F CA 1.998 59.846 58.000 -0.253 0.000 1.232 266 F CB -0.461 38.475 39.000 -0.107 0.000 0.987 266 F HN -0.043 8.257 8.300 -0.000 0.000 0.475 267 S N 0.363 115.956 115.700 -0.179 0.000 2.348 267 S HA -0.152 4.322 4.470 0.007 0.000 0.221 267 S C 2.168 176.606 174.600 -0.270 0.000 1.033 267 S CA 1.533 59.557 58.200 -0.294 0.000 1.010 267 S CB -0.593 62.550 63.200 -0.095 0.000 0.891 267 S HN 0.442 8.752 8.310 -0.000 0.000 0.442 268 L N 1.606 122.721 121.223 -0.180 0.000 2.012 268 L HA -0.130 4.214 4.340 0.007 0.000 0.210 268 L C 2.816 179.677 176.870 -0.015 0.000 1.073 268 L CA 1.736 56.544 54.840 -0.052 0.000 0.748 268 L CB -0.906 41.198 42.059 0.075 0.000 0.891 268 L HN 0.509 8.739 8.230 -0.000 0.000 0.431 269 S N -0.985 114.623 115.700 -0.154 0.000 2.465 269 S HA -0.186 4.288 4.470 0.007 0.000 0.241 269 S C 1.681 176.202 174.600 -0.132 0.000 1.000 269 S CA 0.864 59.061 58.200 -0.004 0.000 0.964 269 S CB -0.191 62.949 63.200 -0.101 0.000 0.763 269 S HN 0.458 8.768 8.310 -0.000 0.000 0.512 270 Q N 0.153 119.770 119.800 -0.304 0.000 2.280 270 Q HA 0.267 4.611 4.340 0.007 0.000 0.201 270 Q C 1.386 177.279 176.000 -0.177 0.000 0.890 270 Q CA 0.567 56.180 55.803 -0.316 0.000 0.947 270 Q CB 0.451 28.864 28.738 -0.541 0.000 1.081 270 Q HN 0.807 9.077 8.270 -0.000 0.000 0.502 271 G N 1.653 110.391 108.800 -0.103 0.000 2.175 271 G HA2 -0.234 3.730 3.960 0.007 0.000 0.244 271 G HA3 -0.234 3.730 3.960 0.007 0.000 0.244 271 G C 0.270 175.136 174.900 -0.056 0.000 0.982 271 G CA -0.218 44.850 45.100 -0.053 0.000 0.641 271 G HN 0.162 8.452 8.290 -0.000 0.000 0.527 272 R N 1.090 121.536 120.500 -0.090 0.000 2.707 272 R HA 0.485 4.829 4.340 0.007 0.000 0.270 272 R C 1.247 177.531 176.300 -0.028 0.000 1.083 272 R CA 0.415 56.472 56.100 -0.072 0.000 1.182 272 R CB 0.305 30.537 30.300 -0.114 0.000 1.084 272 R HN 0.704 8.974 8.270 -0.000 0.000 0.528 273 S N -0.631 115.062 115.700 -0.012 0.000 2.608 273 S HA 0.048 4.522 4.470 0.007 0.000 0.261 273 S C 1.544 176.158 174.600 0.023 0.000 1.314 273 S CA -0.856 57.350 58.200 0.010 0.000 0.992 273 S CB 0.737 63.945 63.200 0.014 0.000 0.935 273 S HN 0.326 8.636 8.310 -0.000 0.000 0.564 274 V N 0.980 120.915 119.914 0.035 0.000 2.427 274 V HA -0.139 3.985 4.120 0.007 0.000 0.248 274 V C 2.916 179.046 176.094 0.060 0.000 1.051 274 V CA 2.105 64.434 62.300 0.048 0.000 1.048 274 V CB -1.271 30.581 31.823 0.048 0.000 0.666 274 V HN 0.900 9.090 8.190 -0.000 0.000 0.456 275 Q N 0.992 120.825 119.800 0.054 0.000 2.045 275 Q HA -0.246 4.098 4.340 0.007 0.000 0.206 275 Q C 2.135 178.183 176.000 0.080 0.000 0.991 275 Q CA 2.320 58.162 55.803 0.066 0.000 0.851 275 Q CB -0.426 28.344 28.738 0.053 0.000 0.911 275 Q HN 0.728 8.998 8.270 -0.000 0.000 0.418 276 E N -0.637 119.601 120.200 0.063 0.000 2.077 276 E HA -0.149 4.205 4.350 0.007 0.000 0.193 276 E C 1.864 178.521 176.600 0.096 0.000 0.989 276 E CA 0.964 57.406 56.400 0.069 0.000 0.800 276 E CB -0.249 29.466 29.700 0.024 0.000 0.746 276 E HN 0.464 8.825 8.360 -0.000 0.000 0.452 277 A N 1.338 124.200 122.820 0.070 0.000 1.898 277 A HA -0.146 4.178 4.320 0.007 0.000 0.216 277 A C 2.180 179.831 177.584 0.112 0.000 1.181 277 A CA 0.825 52.912 52.037 0.084 0.000 0.620 277 A CB -0.619 18.400 19.000 0.031 0.000 0.819 277 A HN 0.185 8.335 8.150 -0.000 0.000 0.442 278 L N -1.280 120.017 121.223 0.123 0.000 2.013 278 L HA -0.246 4.098 4.340 0.007 0.000 0.212 278 L C 2.862 179.873 176.870 0.234 0.000 1.073 278 L CA 2.008 56.964 54.840 0.192 0.000 0.753 278 L CB -0.331 41.836 42.059 0.181 0.000 0.890 278 L HN 0.339 8.569 8.230 -0.000 0.000 0.432 279 R N -0.819 119.803 120.500 0.203 0.000 2.091 279 R HA -0.224 4.120 4.340 0.007 0.000 0.238 279 R C 2.024 178.415 176.300 0.152 0.000 1.136 279 R CA 1.745 57.992 56.100 0.244 0.000 0.959 279 R CB -0.714 29.726 30.300 0.234 0.000 0.856 279 R HN 0.288 8.558 8.270 -0.000 0.000 0.437 280 F N 0.009 119.950 119.950 -0.016 0.000 2.163 280 F HA 0.089 4.615 4.527 -0.001 0.000 0.297 280 F C 2.061 177.797 175.800 -0.107 0.000 1.094 280 F CA 1.590 59.534 58.000 -0.093 0.000 1.290 280 F CB -0.934 38.040 39.000 -0.043 0.000 1.017 280 F HN 0.103 8.403 8.300 -0.000 0.000 0.483 281 G N -0.036 108.743 108.800 -0.036 0.000 2.574 281 G HA2 -0.370 3.595 3.960 0.007 0.000 0.220 281 G HA3 -0.370 3.595 3.960 0.007 0.000 0.220 281 G C 1.786 176.758 174.900 0.120 0.000 1.173 281 G CA 1.459 46.477 45.100 -0.135 0.000 0.772 281 G HN 0.514 8.804 8.290 -0.000 0.000 0.585 282 C N -0.126 119.306 119.300 0.221 0.000 2.457 282 C HA 0.036 4.500 4.460 0.007 0.000 0.278 282 C C 2.757 177.671 174.990 -0.126 0.000 1.309 282 C CA 0.997 60.141 59.018 0.210 0.000 1.735 282 C CB -0.805 27.154 27.740 0.365 0.000 1.992 282 C HN 0.663 8.893 8.230 -0.000 0.000 0.493 283 Q N 0.718 120.117 119.800 -0.667 0.000 2.084 283 Q HA -0.163 4.182 4.340 0.007 0.000 0.202 283 Q C 2.108 177.733 176.000 -0.625 0.000 0.978 283 Q CA 1.968 57.002 55.803 -1.282 0.000 0.844 283 Q CB 0.036 27.995 28.738 -1.297 0.000 0.898 283 Q HN 0.535 8.805 8.270 -0.000 0.000 0.426 284 V N 0.823 120.391 119.914 -0.576 0.000 2.346 284 V HA -0.139 3.985 4.120 0.007 0.000 0.244 284 V C 2.432 178.393 176.094 -0.221 0.000 1.037 284 V CA 1.423 63.450 62.300 -0.455 0.000 1.029 284 V CB -1.021 30.417 31.823 -0.643 0.000 0.663 284 V HN 0.487 8.677 8.190 -0.000 0.000 0.454 285 A N 0.885 123.626 122.820 -0.131 0.000 1.917 285 A HA -0.182 4.142 4.320 0.007 0.000 0.219 285 A C 2.374 179.941 177.584 -0.029 0.000 1.182 285 A CA 2.279 54.304 52.037 -0.019 0.000 0.633 285 A CB -1.235 17.816 19.000 0.085 0.000 0.819 285 A HN 0.541 8.691 8.150 -0.000 0.000 0.448 286 G N -0.817 107.964 108.800 -0.030 0.000 2.394 286 G HA2 -0.215 3.749 3.960 0.007 0.000 0.215 286 G HA3 -0.215 3.749 3.960 0.007 0.000 0.215 286 G C 1.641 176.534 174.900 -0.011 0.000 1.165 286 G CA 1.096 46.209 45.100 0.021 0.000 0.784 286 G HN 0.574 8.864 8.290 -0.000 0.000 0.535 287 K N 0.443 120.807 120.400 -0.060 0.000 2.057 287 K HA -0.123 4.201 4.320 0.007 0.000 0.207 287 K C 2.482 179.047 176.600 -0.060 0.000 1.049 287 K CA 1.340 57.593 56.287 -0.057 0.000 0.931 287 K CB -0.138 32.310 32.500 -0.088 0.000 0.714 287 K HN 0.119 8.369 8.250 -0.000 0.000 0.440 288 K N 0.934 121.290 120.400 -0.073 0.000 2.074 288 K HA -0.182 4.142 4.320 0.007 0.000 0.209 288 K C 1.844 178.381 176.600 -0.105 0.000 1.048 288 K CA 1.877 58.109 56.287 -0.091 0.000 0.926 288 K CB -0.541 31.914 32.500 -0.074 0.000 0.713 288 K HN 0.320 8.570 8.250 -0.000 0.000 0.444 289 C N 0.060 119.317 119.300 -0.072 0.000 2.422 289 C HA -0.010 4.454 4.460 0.007 0.000 0.286 289 C C 2.282 177.240 174.990 -0.053 0.000 1.412 289 C CA 0.787 59.766 59.018 -0.064 0.000 1.786 289 C CB -1.245 26.474 27.740 -0.036 0.000 1.835 289 C HN 0.621 8.851 8.230 -0.000 0.000 0.533 290 G N -0.699 108.074 108.800 -0.045 0.000 3.141 290 G HA2 0.414 4.378 3.960 0.007 0.000 0.218 290 G HA3 0.414 4.378 3.960 0.007 0.000 0.218 290 G C 0.191 175.064 174.900 -0.045 0.000 1.170 290 G CA 0.214 45.294 45.100 -0.034 0.000 0.769 290 G HN 0.458 8.748 8.290 -0.000 0.000 0.546 291 L N -0.658 120.522 121.223 -0.071 0.000 2.393 291 L HA 0.417 4.761 4.340 0.007 0.000 0.260 291 L C -0.853 175.949 176.870 -0.114 0.000 1.002 291 L CA -1.246 53.547 54.840 -0.079 0.000 0.818 291 L CB 2.151 44.162 42.059 -0.081 0.000 1.369 291 L HN -0.186 8.044 8.230 -0.000 0.000 0.412 292 Q N 1.458 121.200 119.800 -0.096 0.000 2.288 292 Q HA 0.478 4.822 4.340 0.007 0.000 0.258 292 Q C 0.586 176.494 176.000 -0.154 0.000 0.957 292 Q CA 0.700 56.436 55.803 -0.112 0.000 0.919 292 Q CB 1.388 30.089 28.738 -0.062 0.000 1.185 292 Q HN 0.826 9.096 8.270 -0.000 0.000 0.408 293 G N 1.831 110.476 108.800 -0.259 0.000 2.562 293 G HA2 -0.317 3.647 3.960 0.007 0.000 0.250 293 G HA3 -0.317 3.647 3.960 0.007 0.000 0.250 293 G C -0.065 174.511 174.900 -0.540 0.000 1.269 293 G CA 0.158 45.046 45.100 -0.352 0.000 0.919 293 G HN 0.547 8.837 8.290 -0.000 0.000 0.574 294 F N 0.619 120.546 119.950 -0.038 0.000 2.740 294 F HA 0.292 4.821 4.527 0.005 0.000 0.304 294 F C 1.282 177.050 175.800 -0.052 0.000 1.098 294 F CA 0.125 58.094 58.000 -0.053 0.000 1.258 294 F CB 0.307 39.269 39.000 -0.063 0.000 1.061 294 F HN 0.217 8.517 8.300 -0.000 0.000 0.598 295 D N 0.837 121.302 120.400 0.107 0.000 2.533 295 D HA 0.282 4.926 4.640 0.007 0.000 0.236 295 D C 1.368 177.675 176.300 0.012 0.000 1.137 295 D CA 1.867 55.895 54.000 0.046 0.000 0.867 295 D CB 0.936 41.754 40.800 0.030 0.000 1.170 295 D HN 0.492 8.862 8.370 -0.000 0.000 0.474 296 G N 2.063 110.866 108.800 0.005 0.000 2.195 296 G HA2 -0.302 3.662 3.960 0.007 0.000 0.224 296 G HA3 -0.302 3.662 3.960 0.007 0.000 0.224 296 G C 1.150 176.040 174.900 -0.018 0.000 0.990 296 G CA 0.277 45.371 45.100 -0.009 0.000 0.639 296 G HN 0.629 8.919 8.290 -0.000 0.000 0.514 297 I N -0.310 120.250 120.570 -0.016 0.000 2.614 297 I HA 0.347 4.521 4.170 0.007 0.000 0.258 297 I C 1.161 177.247 176.117 -0.051 0.000 1.189 297 I CA 0.994 62.270 61.300 -0.040 0.000 1.462 297 I CB -0.398 37.581 38.000 -0.036 0.000 1.092 297 I HN 0.452 8.662 8.210 -0.000 0.000 0.442 298 V N 0.000 119.894 119.914 -0.033 0.000 2.409 298 V HA 0.000 4.124 4.120 0.007 0.000 0.244 298 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 298 V CB 0.000 31.802 31.823 -0.036 0.000 1.184 298 V HN 0.000 8.190 8.190 -0.000 0.000 0.556