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 1h9g_1_A DATA FIRST_RESID 5 DATA SEQUENCE AQSPAGFAEE YIIESIWNNR FPPGTILPAE RELSELIGVT RTTLREVLQR DATA SEQUENCE LARDGWLTIQ HGKPTKVNNF WETSGLNILE TLARLDHESV PQLIDNLLSV DATA SEQUENCE RTNISTIFIR TAFRQHPDKA QEVLATANEV ADHADAFAEL DYNIFRGLAF DATA SEQUENCE ASGNPIYGLI LNGMKGLYTR IGRHYFANPE ARSLALGFYH KLSALCSEGA DATA SEQUENCE HDQVYETVRR YGHESGEIWH RMQ 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 5 A HA 0.000 4.320 4.320 0.000 0.000 0.244 5 A C 0.000 177.595 177.584 0.018 0.000 1.274 5 A CA 0.000 52.043 52.037 0.010 0.000 0.836 5 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 6 Q N 2.021 121.836 119.800 0.025 0.000 2.274 6 Q HA 0.535 4.874 4.340 -0.001 0.000 0.256 6 Q C 0.385 176.410 176.000 0.041 0.000 0.927 6 Q CA 0.243 56.072 55.803 0.044 0.000 0.939 6 Q CB 0.897 29.681 28.738 0.077 0.000 1.201 6 Q HN 0.648 8.918 8.270 0.000 0.000 0.426 7 S N 3.391 119.115 115.700 0.041 0.000 2.596 7 S HA 0.199 4.669 4.470 -0.001 0.000 0.260 7 S C -1.944 172.695 174.600 0.064 0.000 1.336 7 S CA -0.964 57.257 58.200 0.034 0.000 0.993 7 S CB 0.631 63.848 63.200 0.028 0.000 0.923 7 S HN 0.587 8.897 8.310 0.000 0.000 0.567 8 P HA 0.039 4.459 4.420 0.000 0.000 0.217 8 P C 1.615 178.985 177.300 0.117 0.000 1.150 8 P CA 1.708 64.855 63.100 0.079 0.000 0.832 8 P CB -0.253 31.462 31.700 0.025 0.000 0.787 9 A N -0.028 122.829 122.820 0.063 0.000 1.877 9 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 9 A C 2.487 180.094 177.584 0.038 0.000 1.186 9 A CA 2.135 54.197 52.037 0.041 0.000 0.620 9 A CB -1.919 17.095 19.000 0.022 0.000 0.822 9 A HN 0.264 8.414 8.150 0.000 0.000 0.443 10 G N -1.289 107.541 108.800 0.049 0.000 2.440 10 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 10 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 10 G C 1.475 176.400 174.900 0.042 0.000 1.154 10 G CA 1.204 46.324 45.100 0.033 0.000 0.767 10 G HN 0.521 8.811 8.290 0.000 0.000 0.552 11 F N 2.412 122.344 119.950 -0.030 0.000 2.134 11 F HA 0.108 4.634 4.527 -0.001 0.000 0.299 11 F C 2.729 178.523 175.800 -0.010 0.000 1.097 11 F CA 1.255 59.242 58.000 -0.023 0.000 1.264 11 F CB -0.253 38.731 39.000 -0.026 0.000 1.001 11 F HN 0.225 8.525 8.300 0.000 0.000 0.479 12 A N -0.040 122.756 122.820 -0.040 0.000 1.877 12 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 12 A C 2.270 179.765 177.584 -0.148 0.000 1.186 12 A CA 1.774 53.745 52.037 -0.110 0.000 0.620 12 A CB -1.062 17.938 19.000 -0.000 0.000 0.822 12 A HN 0.555 8.705 8.150 0.000 0.000 0.443 13 E N -0.498 119.619 120.200 -0.137 0.000 2.051 13 E HA -0.250 4.099 4.350 -0.001 0.000 0.192 13 E C 2.070 178.484 176.600 -0.310 0.000 0.991 13 E CA 1.391 57.678 56.400 -0.188 0.000 0.799 13 E CB -0.152 29.464 29.700 -0.141 0.000 0.748 13 E HN 0.754 9.114 8.360 0.000 0.000 0.449 14 E N -0.662 119.355 120.200 -0.306 0.000 2.106 14 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 14 E C 1.953 178.282 176.600 -0.452 0.000 0.984 14 E CA 0.991 57.158 56.400 -0.388 0.000 0.806 14 E CB -0.210 29.323 29.700 -0.280 0.000 0.750 14 E HN 0.362 8.722 8.360 0.000 0.000 0.458 15 Y N 0.938 120.893 120.300 -0.575 0.000 2.200 15 Y HA -0.155 4.394 4.550 -0.001 0.000 0.290 15 Y C 1.856 177.533 175.900 -0.372 0.000 1.137 15 Y CA 1.670 59.450 58.100 -0.532 0.000 1.163 15 Y CB -0.073 37.991 38.460 -0.661 0.000 0.988 15 Y HN 0.020 8.300 8.280 0.000 0.000 0.518 16 I N -0.290 120.197 120.570 -0.137 0.000 2.202 16 I HA -0.303 3.867 4.170 -0.001 0.000 0.242 16 I C 2.290 178.166 176.117 -0.402 0.000 1.091 16 I CA 1.400 62.645 61.300 -0.093 0.000 1.368 16 I CB -0.411 37.569 38.000 -0.034 0.000 1.058 16 I HN 0.201 8.411 8.210 0.000 0.000 0.410 17 I N 0.757 120.903 120.570 -0.706 0.000 2.163 17 I HA -0.313 3.857 4.170 -0.001 0.000 0.243 17 I C 2.409 177.729 176.117 -1.327 0.000 1.085 17 I CA 1.710 62.267 61.300 -1.239 0.000 1.347 17 I CB -0.497 36.563 38.000 -1.568 0.000 1.044 17 I HN 0.272 8.482 8.210 0.000 0.000 0.408 18 E N 0.313 119.898 120.200 -1.026 0.000 2.204 18 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 18 E C 2.279 178.581 176.600 -0.497 0.000 0.990 18 E CA 1.209 57.176 56.400 -0.723 0.000 0.821 18 E CB -0.026 29.363 29.700 -0.520 0.000 0.750 18 E HN 0.382 8.742 8.360 0.000 0.000 0.477 19 S N 0.592 115.932 115.700 -0.600 0.000 2.406 19 S HA -0.039 4.430 4.470 -0.001 0.000 0.228 19 S C 1.949 176.376 174.600 -0.289 0.000 1.020 19 S CA 0.512 58.355 58.200 -0.595 0.000 0.965 19 S CB -0.000 62.633 63.200 -0.945 0.000 0.798 19 S HN 0.210 8.520 8.310 0.000 0.000 0.488 20 I N 0.028 120.511 120.570 -0.145 0.000 2.202 20 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 20 I C 2.128 178.393 176.117 0.246 0.000 1.091 20 I CA 0.992 62.355 61.300 0.105 0.000 1.368 20 I CB -0.348 37.729 38.000 0.129 0.000 1.058 20 I HN 0.357 8.567 8.210 0.000 0.000 0.410 21 W N 2.125 123.409 121.300 -0.027 0.000 2.338 21 W HA -0.216 4.444 4.660 -0.000 0.000 0.304 21 W C 2.341 178.849 176.519 -0.018 0.000 1.212 21 W CA 1.402 58.764 57.345 0.029 0.000 1.264 21 W CB -1.603 27.845 29.460 -0.020 0.000 1.142 21 W HN 0.426 8.606 8.180 0.000 0.000 0.512 22 N N -0.186 118.592 118.700 0.129 0.000 2.398 22 N HA -0.099 4.640 4.740 -0.001 0.000 0.188 22 N C 0.282 175.788 175.510 -0.005 0.000 1.122 22 N CA 0.870 53.934 53.050 0.024 0.000 0.866 22 N CB -0.839 37.610 38.487 -0.063 0.000 0.970 22 N HN 0.073 8.453 8.380 0.000 0.000 0.462 23 N N -0.471 118.243 118.700 0.023 0.000 2.850 23 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 23 N C 0.690 176.169 175.510 -0.052 0.000 1.060 23 N CA 0.813 53.879 53.050 0.027 0.000 0.825 23 N CB -0.953 37.565 38.487 0.053 0.000 1.132 23 N HN 0.614 8.994 8.380 0.000 0.000 0.564 24 R N 0.006 120.373 120.500 -0.221 0.000 2.096 24 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 24 R C -0.114 176.034 176.300 -0.253 0.000 1.127 24 R CA 1.294 57.167 56.100 -0.379 0.000 0.968 24 R CB 0.023 29.865 30.300 -0.763 0.000 0.861 24 R HN 0.054 8.324 8.270 0.000 0.000 0.440 25 F N 1.512 121.458 119.950 -0.006 0.000 2.451 25 F HA 0.465 4.992 4.527 -0.001 0.000 0.367 25 F C -2.335 173.498 175.800 0.054 0.000 1.100 25 F CA -3.857 54.154 58.000 0.018 0.000 1.171 25 F CB 1.192 40.191 39.000 -0.003 0.000 1.405 25 F HN -0.132 8.168 8.300 0.000 0.000 0.482 26 P HA 0.177 4.597 4.420 0.000 0.000 0.271 26 P C -2.540 174.872 177.300 0.187 0.000 1.216 26 P CA -1.233 61.977 63.100 0.183 0.000 0.776 26 P CB 0.318 32.099 31.700 0.135 0.000 0.881 27 P HA 0.022 4.442 4.420 0.000 0.000 0.264 27 P C 1.040 178.421 177.300 0.135 0.000 1.183 27 P CA 1.471 64.684 63.100 0.189 0.000 0.763 27 P CB 0.072 31.899 31.700 0.210 0.000 0.807 28 G N 1.224 110.092 108.800 0.113 0.000 2.217 28 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.246 28 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.246 28 G C 0.379 175.322 174.900 0.072 0.000 0.990 28 G CA 0.366 45.516 45.100 0.083 0.000 0.627 28 G HN 0.810 9.100 8.290 0.000 0.000 0.522 29 T N -0.677 113.927 114.554 0.083 0.000 2.923 29 T HA 0.753 5.103 4.350 -0.001 0.000 0.281 29 T C 0.699 175.424 174.700 0.042 0.000 0.995 29 T CA -0.349 61.792 62.100 0.068 0.000 0.985 29 T CB 2.095 71.019 68.868 0.093 0.000 1.114 29 T HN 1.296 9.536 8.240 0.000 0.000 0.548 30 I N -0.891 119.690 120.570 0.018 0.000 2.664 30 I HA 0.651 4.820 4.170 -0.001 0.000 0.308 30 I C -0.569 175.501 176.117 -0.079 0.000 0.984 30 I CA -1.468 59.819 61.300 -0.022 0.000 1.213 30 I CB 0.790 38.777 38.000 -0.021 0.000 1.379 30 I HN 0.415 8.625 8.210 0.000 0.000 0.501 31 L N 5.414 126.544 121.223 -0.153 0.000 2.397 31 L HA 0.459 4.799 4.340 -0.001 0.000 0.271 31 L C -1.936 174.793 176.870 -0.236 0.000 1.148 31 L CA -1.414 53.228 54.840 -0.330 0.000 0.825 31 L CB -0.295 41.569 42.059 -0.325 0.000 1.117 31 L HN 0.554 8.784 8.230 0.000 0.000 0.456 32 P HA 0.087 4.507 4.420 0.000 0.000 0.269 32 P C -0.944 176.297 177.300 -0.099 0.000 1.217 32 P CA -0.397 62.639 63.100 -0.106 0.000 0.783 32 P CB 0.245 31.927 31.700 -0.030 0.000 0.898 33 A N 1.719 124.507 122.820 -0.053 0.000 2.492 33 A HA -0.043 4.277 4.320 -0.001 0.000 0.236 33 A C 1.534 179.091 177.584 -0.045 0.000 1.078 33 A CA 0.108 52.117 52.037 -0.047 0.000 0.773 33 A CB -0.369 18.614 19.000 -0.029 0.000 1.023 33 A HN 0.628 8.778 8.150 0.000 0.000 0.504 34 E N 0.221 120.396 120.200 -0.042 0.000 2.085 34 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 34 E C 2.116 178.701 176.600 -0.024 0.000 0.994 34 E CA 1.495 57.873 56.400 -0.036 0.000 0.801 34 E CB -0.104 29.578 29.700 -0.030 0.000 0.743 34 E HN 0.704 9.064 8.360 0.000 0.000 0.453 35 R N 1.276 121.765 120.500 -0.018 0.000 2.083 35 R HA -0.216 4.124 4.340 -0.001 0.000 0.237 35 R C 2.254 178.548 176.300 -0.009 0.000 1.137 35 R CA 1.863 57.956 56.100 -0.012 0.000 0.951 35 R CB -0.121 30.173 30.300 -0.010 0.000 0.851 35 R HN 0.157 8.427 8.270 0.000 0.000 0.434 36 E N 0.069 120.266 120.200 -0.006 0.000 2.051 36 E HA -0.221 4.129 4.350 -0.001 0.000 0.192 36 E C 2.021 178.627 176.600 0.011 0.000 0.991 36 E CA 1.223 57.627 56.400 0.006 0.000 0.799 36 E CB -0.071 29.638 29.700 0.014 0.000 0.748 36 E HN 0.255 8.615 8.360 0.000 0.000 0.449 37 L N 0.882 122.105 121.223 -0.001 0.000 2.046 37 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 37 L C 2.523 179.383 176.870 -0.017 0.000 1.077 37 L CA 2.330 57.172 54.840 0.003 0.000 0.747 37 L CB -0.766 41.271 42.059 -0.037 0.000 0.896 37 L HN 0.238 8.468 8.230 0.000 0.000 0.432 38 S N -1.552 114.136 115.700 -0.021 0.000 2.383 38 S HA -0.186 4.284 4.470 -0.001 0.000 0.227 38 S C 1.822 176.407 174.600 -0.026 0.000 1.026 38 S CA 1.203 59.389 58.200 -0.023 0.000 0.981 38 S CB -0.591 62.599 63.200 -0.017 0.000 0.818 38 S HN 0.607 8.917 8.310 0.000 0.000 0.472 39 E N 0.588 120.777 120.200 -0.019 0.000 2.152 39 E HA -0.019 4.330 4.350 -0.001 0.000 0.192 39 E C 2.007 178.591 176.600 -0.027 0.000 0.983 39 E CA 1.004 57.393 56.400 -0.019 0.000 0.818 39 E CB -0.258 29.436 29.700 -0.009 0.000 0.758 39 E HN 0.499 8.859 8.360 0.000 0.000 0.467 40 L N 0.793 121.999 121.223 -0.028 0.000 2.056 40 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 40 L C 1.903 178.690 176.870 -0.140 0.000 1.078 40 L CA 1.614 56.427 54.840 -0.045 0.000 0.749 40 L CB -0.070 41.994 42.059 0.007 0.000 0.901 40 L HN 0.074 8.304 8.230 0.000 0.000 0.433 41 I N -0.468 119.997 120.570 -0.176 0.000 2.716 41 I HA 0.112 4.282 4.170 -0.001 0.000 0.259 41 I C 1.425 177.537 176.117 -0.009 0.000 1.172 41 I CA 0.778 61.947 61.300 -0.218 0.000 1.478 41 I CB -0.455 37.404 38.000 -0.234 0.000 1.104 41 I HN 0.505 8.715 8.210 0.000 0.000 0.439 42 G N 2.110 110.892 108.800 -0.031 0.000 2.207 42 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.216 42 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.216 42 G C -0.016 174.874 174.900 -0.017 0.000 1.053 42 G CA 0.093 45.174 45.100 -0.032 0.000 0.764 42 G HN 0.350 8.640 8.290 0.000 0.000 0.495 43 V N -2.675 117.237 119.914 -0.003 0.000 3.040 43 V HA 0.959 5.078 4.120 -0.001 0.000 0.312 43 V C 0.729 176.820 176.094 -0.006 0.000 1.115 43 V CA -0.061 62.241 62.300 0.004 0.000 0.998 43 V CB 1.497 33.337 31.823 0.028 0.000 1.042 43 V HN 1.344 9.534 8.190 0.000 0.000 0.433 44 T N 0.406 114.957 114.554 -0.005 0.000 2.748 44 T HA 0.291 4.640 4.350 -0.001 0.000 0.304 44 T C 1.075 175.772 174.700 -0.005 0.000 1.041 44 T CA -0.178 61.919 62.100 -0.006 0.000 1.033 44 T CB 0.561 69.425 68.868 -0.005 0.000 0.995 44 T HN 0.761 9.001 8.240 0.000 0.000 0.536 45 R N 0.582 121.079 120.500 -0.005 0.000 2.115 45 R HA -0.039 4.301 4.340 -0.001 0.000 0.230 45 R C 2.576 178.875 176.300 -0.001 0.000 1.111 45 R CA 1.432 57.529 56.100 -0.005 0.000 0.976 45 R CB -1.543 28.755 30.300 -0.004 0.000 0.870 45 R HN 0.790 9.060 8.270 0.000 0.000 0.445 46 T N 0.570 115.124 114.554 0.000 0.000 2.777 46 T HA -0.080 4.269 4.350 -0.001 0.000 0.266 46 T C 1.809 176.511 174.700 0.003 0.000 1.040 46 T CA 1.786 63.888 62.100 0.003 0.000 1.141 46 T CB -0.188 68.681 68.868 0.002 0.000 0.868 46 T HN 0.275 8.515 8.240 0.000 0.000 0.444 47 T N 2.419 116.974 114.554 0.003 0.000 2.708 47 T HA -0.040 4.310 4.350 -0.001 0.000 0.266 47 T C 1.889 176.591 174.700 0.003 0.000 1.037 47 T CA 0.882 62.985 62.100 0.005 0.000 1.146 47 T CB -0.451 68.422 68.868 0.009 0.000 0.865 47 T HN 0.118 8.358 8.240 0.000 0.000 0.435 48 L N 1.160 122.383 121.223 -0.001 0.000 2.083 48 L HA 0.008 4.347 4.340 -0.001 0.000 0.209 48 L C 2.441 179.307 176.870 -0.006 0.000 1.083 48 L CA 1.673 56.509 54.840 -0.007 0.000 0.752 48 L CB -0.435 41.617 42.059 -0.013 0.000 0.899 48 L HN 0.069 8.299 8.230 0.000 0.000 0.433 49 R N -0.345 120.155 120.500 -0.001 0.000 2.081 49 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 49 R C 2.104 178.408 176.300 0.007 0.000 1.131 49 R CA 1.875 57.977 56.100 0.004 0.000 0.960 49 R CB -0.361 29.945 30.300 0.010 0.000 0.856 49 R HN 0.566 8.836 8.270 0.000 0.000 0.436 50 E N 0.016 120.220 120.200 0.007 0.000 2.110 50 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 50 E C 2.009 178.613 176.600 0.007 0.000 0.988 50 E CA 1.264 57.670 56.400 0.008 0.000 0.804 50 E CB -0.006 29.699 29.700 0.008 0.000 0.745 50 E HN 0.118 8.478 8.360 0.000 0.000 0.458 51 V N 1.601 121.515 119.914 0.001 0.000 2.453 51 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 51 V C 2.267 178.358 176.094 -0.005 0.000 1.048 51 V CA 1.249 63.545 62.300 -0.007 0.000 1.049 51 V CB -0.369 31.444 31.823 -0.018 0.000 0.672 51 V HN 0.256 8.446 8.190 0.000 0.000 0.457 52 L N -0.495 120.725 121.223 -0.004 0.000 2.083 52 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 52 L C 2.799 179.682 176.870 0.022 0.000 1.083 52 L CA 1.217 56.058 54.840 0.002 0.000 0.752 52 L CB -0.628 41.427 42.059 -0.006 0.000 0.899 52 L HN 0.345 8.575 8.230 0.000 0.000 0.433 53 Q N 0.180 119.992 119.800 0.021 0.000 2.050 53 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 53 Q C 2.334 178.357 176.000 0.038 0.000 0.980 53 Q CA 1.537 57.357 55.803 0.028 0.000 0.840 53 Q CB -0.281 28.471 28.738 0.022 0.000 0.898 53 Q HN 0.512 8.782 8.270 0.000 0.000 0.424 54 R N 0.191 120.712 120.500 0.036 0.000 2.081 54 R HA -0.039 4.300 4.340 -0.001 0.000 0.235 54 R C 2.528 178.881 176.300 0.089 0.000 1.131 54 R CA 0.872 57.002 56.100 0.049 0.000 0.960 54 R CB -0.377 29.944 30.300 0.035 0.000 0.856 54 R HN 0.216 8.486 8.270 0.000 0.000 0.436 55 L N 0.135 121.413 121.223 0.091 0.000 2.083 55 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 55 L C 2.670 179.665 176.870 0.209 0.000 1.083 55 L CA 1.108 56.058 54.840 0.184 0.000 0.752 55 L CB -0.529 41.579 42.059 0.081 0.000 0.899 55 L HN 0.241 8.471 8.230 0.000 0.000 0.433 56 A N 0.039 122.927 122.820 0.114 0.000 1.873 56 A HA -0.225 4.095 4.320 -0.001 0.000 0.215 56 A C 2.452 180.075 177.584 0.065 0.000 1.186 56 A CA 1.515 53.603 52.037 0.086 0.000 0.616 56 A CB -0.565 18.468 19.000 0.056 0.000 0.823 56 A HN 0.324 8.474 8.150 0.000 0.000 0.442 57 R N -0.165 120.371 120.500 0.060 0.000 2.105 57 R HA -0.175 4.164 4.340 -0.001 0.000 0.239 57 R C 0.382 176.699 176.300 0.029 0.000 1.135 57 R CA 1.873 57.998 56.100 0.040 0.000 0.967 57 R CB -0.330 29.994 30.300 0.040 0.000 0.861 57 R HN 0.399 8.669 8.270 0.000 0.000 0.442 58 D N -1.150 119.283 120.400 0.056 0.000 2.336 58 D HA 0.097 4.737 4.640 -0.001 0.000 0.229 58 D C 0.977 177.170 176.300 -0.179 0.000 1.061 58 D CA 0.968 54.962 54.000 -0.010 0.000 0.875 58 D CB 0.557 41.426 40.800 0.115 0.000 0.904 58 D HN 0.557 8.927 8.370 0.000 0.000 0.525 59 G N 0.316 109.064 108.800 -0.088 0.000 2.179 59 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.260 59 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.260 59 G C 0.957 175.793 174.900 -0.107 0.000 0.977 59 G CA 0.232 45.259 45.100 -0.123 0.000 0.641 59 G HN 0.354 8.644 8.290 0.000 0.000 0.533 60 W N 0.178 121.497 121.300 0.031 0.000 2.436 60 W HA 0.517 5.177 4.660 -0.001 0.000 0.284 60 W C 1.437 177.979 176.519 0.038 0.000 1.225 60 W CA 0.474 57.841 57.345 0.036 0.000 1.271 60 W CB 0.090 29.531 29.460 -0.032 0.000 1.114 60 W HN 0.219 8.399 8.180 0.000 0.000 0.559 61 L N -0.653 120.708 121.223 0.231 0.000 2.350 61 L HA 0.539 4.878 4.340 -0.001 0.000 0.260 61 L C -0.284 176.636 176.870 0.083 0.000 1.015 61 L CA -0.839 54.081 54.840 0.133 0.000 0.821 61 L CB 2.057 44.172 42.059 0.094 0.000 1.370 61 L HN -0.509 7.721 8.230 0.000 0.000 0.416 62 T N 3.082 117.671 114.554 0.058 0.000 2.786 62 T HA 0.619 4.968 4.350 -0.001 0.000 0.283 62 T C -0.415 174.304 174.700 0.030 0.000 0.992 62 T CA -0.327 61.797 62.100 0.041 0.000 0.954 62 T CB 0.895 69.785 68.868 0.036 0.000 0.934 62 T HN 0.445 8.685 8.240 0.000 0.000 0.440 63 I N 1.096 121.684 120.570 0.030 0.000 2.603 63 I HA 0.790 4.959 4.170 -0.001 0.000 0.300 63 I C -0.780 175.356 176.117 0.032 0.000 1.017 63 I CA -1.058 60.257 61.300 0.025 0.000 1.098 63 I CB 2.170 40.187 38.000 0.028 0.000 1.279 63 I HN 0.472 8.682 8.210 0.000 0.000 0.437 64 Q N 2.995 122.813 119.800 0.030 0.000 2.271 64 Q HA 0.276 4.616 4.340 -0.001 0.000 0.268 64 Q C -1.108 174.923 176.000 0.053 0.000 1.021 64 Q CA -0.788 55.042 55.803 0.045 0.000 0.802 64 Q CB 1.713 30.468 28.738 0.029 0.000 1.282 64 Q HN 0.834 9.104 8.270 0.000 0.000 0.431 65 H N 2.384 121.454 119.070 0.001 0.000 3.140 65 H HA 0.130 4.685 4.556 -0.001 0.000 0.316 65 H C 1.216 176.543 175.328 -0.001 0.000 0.986 65 H CA 2.689 58.737 56.048 -0.001 0.000 1.397 65 H CB 0.515 30.277 29.762 0.000 0.000 1.377 65 H HN 0.896 9.176 8.280 0.000 0.000 0.585 66 G N 3.393 111.820 108.800 -0.623 0.000 2.166 66 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 66 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 66 G C 0.105 174.900 174.900 -0.175 0.000 0.986 66 G CA 0.661 45.510 45.100 -0.419 0.000 0.683 66 G HN 0.723 9.014 8.290 0.000 0.000 0.527 67 K N -0.115 120.215 120.400 -0.117 0.000 2.395 67 K HA 0.547 4.867 4.320 -0.001 0.000 0.247 67 K C -2.533 174.036 176.600 -0.050 0.000 0.973 67 K CA -2.152 54.098 56.287 -0.061 0.000 0.828 67 K CB 1.874 34.355 32.500 -0.031 0.000 1.272 67 K HN -0.059 8.191 8.250 0.000 0.000 0.439 68 P HA 0.033 4.453 4.420 0.000 0.000 0.269 68 P C -0.929 176.353 177.300 -0.029 0.000 1.215 68 P CA -0.087 62.991 63.100 -0.036 0.000 0.780 68 P CB 0.471 32.155 31.700 -0.027 0.000 0.898 69 T N 2.849 117.381 114.554 -0.038 0.000 2.767 69 T HA 0.251 4.601 4.350 -0.001 0.000 0.288 69 T C 0.060 174.744 174.700 -0.027 0.000 0.963 69 T CA -0.585 61.498 62.100 -0.029 0.000 1.019 69 T CB 0.357 69.201 68.868 -0.040 0.000 0.923 69 T HN 0.218 8.458 8.240 0.000 0.000 0.468 70 K N 1.972 122.372 120.400 -0.001 0.000 2.110 70 K HA 0.548 4.868 4.320 -0.001 0.000 0.263 70 K C -0.611 176.011 176.600 0.037 0.000 0.975 70 K CA -0.815 55.481 56.287 0.015 0.000 0.895 70 K CB 1.518 34.035 32.500 0.028 0.000 1.060 70 K HN 0.267 8.517 8.250 0.000 0.000 0.448 71 V N 3.924 123.871 119.914 0.055 0.000 2.406 71 V HA 0.086 4.205 4.120 -0.001 0.000 0.272 71 V C 0.090 176.266 176.094 0.138 0.000 1.043 71 V CA -0.763 61.602 62.300 0.108 0.000 0.915 71 V CB 0.677 32.579 31.823 0.133 0.000 0.988 71 V HN 0.708 8.898 8.190 0.000 0.000 0.466 72 N N 3.174 121.975 118.700 0.169 0.000 2.447 72 N HA 0.211 4.951 4.740 -0.001 0.000 0.271 72 N C -0.168 175.463 175.510 0.202 0.000 1.226 72 N CA -0.591 52.550 53.050 0.150 0.000 0.980 72 N CB 0.422 38.978 38.487 0.114 0.000 1.206 72 N HN 0.651 9.031 8.380 0.000 0.000 0.558 73 N N 0.849 119.629 118.700 0.133 0.000 2.527 73 N HA 0.075 4.814 4.740 -0.001 0.000 0.236 73 N C 0.531 176.028 175.510 -0.022 0.000 0.999 73 N CA -0.597 52.512 53.050 0.099 0.000 0.935 73 N CB -0.209 38.321 38.487 0.072 0.000 1.132 73 N HN 0.481 8.861 8.380 0.000 0.000 0.511 74 F N 1.874 121.748 119.950 -0.126 0.000 2.236 74 F HA 0.006 4.532 4.527 -0.000 0.000 0.302 74 F C 1.161 176.749 175.800 -0.353 0.000 1.073 74 F CA 0.360 58.122 58.000 -0.396 0.000 1.336 74 F CB -0.760 37.729 39.000 -0.851 0.000 1.040 74 F HN 0.402 8.702 8.300 0.000 0.000 0.507 75 W N 1.633 122.408 121.300 -0.876 0.000 2.364 75 W HA -0.114 4.546 4.660 -0.000 0.000 0.281 75 W C 1.828 178.187 176.519 -0.268 0.000 1.219 75 W CA 1.329 58.318 57.345 -0.592 0.000 1.220 75 W CB -0.217 28.903 29.460 -0.566 0.000 1.127 75 W HN 0.177 8.357 8.180 0.000 0.000 0.556 76 E N -1.258 118.939 120.200 -0.005 0.000 2.498 76 E HA 0.029 4.379 4.350 -0.001 0.000 0.203 76 E C 1.564 178.157 176.600 -0.011 0.000 1.013 76 E CA 1.117 57.522 56.400 0.008 0.000 0.927 76 E CB 0.209 29.919 29.700 0.016 0.000 1.012 76 E HN 0.331 8.691 8.360 0.000 0.000 0.482 77 T N -2.573 111.957 114.554 -0.040 0.000 2.989 77 T HA 0.140 4.490 4.350 -0.001 0.000 0.250 77 T C 1.226 175.880 174.700 -0.077 0.000 0.981 77 T CA -0.247 61.827 62.100 -0.043 0.000 0.980 77 T CB 0.270 69.120 68.868 -0.030 0.000 1.133 77 T HN -0.156 8.084 8.240 0.000 0.000 0.489 78 S N 1.109 116.731 115.700 -0.130 0.000 2.603 78 S HA 0.656 5.126 4.470 -0.001 0.000 0.268 78 S C 0.790 175.338 174.600 -0.086 0.000 1.317 78 S CA -0.371 57.726 58.200 -0.172 0.000 1.012 78 S CB 0.978 63.983 63.200 -0.325 0.000 0.926 78 S HN 0.730 9.040 8.310 0.000 0.000 0.539 79 G N -0.144 108.611 108.800 -0.075 0.000 2.795 79 G HA2 0.489 4.449 3.960 -0.001 0.000 0.267 79 G HA3 0.489 4.449 3.960 -0.001 0.000 0.267 79 G C 0.654 175.548 174.900 -0.010 0.000 1.362 79 G CA -0.814 44.272 45.100 -0.025 0.000 1.048 79 G HN 0.623 8.913 8.290 0.000 0.000 0.547 80 L N 0.280 121.514 121.223 0.019 0.000 2.191 80 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 80 L C 2.663 179.553 176.870 0.032 0.000 1.103 80 L CA 1.503 56.366 54.840 0.038 0.000 0.769 80 L CB -0.391 41.701 42.059 0.055 0.000 0.908 80 L HN 0.700 8.930 8.230 0.000 0.000 0.438 81 N N 1.360 120.073 118.700 0.022 0.000 2.519 81 N HA -0.217 4.522 4.740 -0.001 0.000 0.186 81 N C 1.509 177.037 175.510 0.030 0.000 1.062 81 N CA 1.383 54.450 53.050 0.029 0.000 0.910 81 N CB -0.827 37.676 38.487 0.028 0.000 0.958 81 N HN 0.623 9.003 8.380 0.000 0.000 0.445 82 I N -3.859 116.709 120.570 -0.004 0.000 2.928 82 I HA 0.042 4.211 4.170 -0.001 0.000 0.266 82 I C 1.316 177.459 176.117 0.043 0.000 1.234 82 I CA 0.243 61.541 61.300 -0.003 0.000 1.483 82 I CB -0.180 37.713 38.000 -0.179 0.000 1.097 82 I HN -0.096 8.114 8.210 0.000 0.000 0.455 83 L N 1.500 122.749 121.223 0.043 0.000 2.043 83 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 83 L C 2.677 179.594 176.870 0.080 0.000 1.075 83 L CA 1.778 56.657 54.840 0.064 0.000 0.752 83 L CB -1.163 40.935 42.059 0.066 0.000 0.891 83 L HN 0.347 8.577 8.230 0.000 0.000 0.432 84 E N -1.274 118.973 120.200 0.078 0.000 2.204 84 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 84 E C 2.058 178.723 176.600 0.108 0.000 0.989 84 E CA 1.291 57.741 56.400 0.082 0.000 0.824 84 E CB -0.090 29.650 29.700 0.067 0.000 0.756 84 E HN 0.500 8.860 8.360 0.000 0.000 0.477 85 T N 1.531 116.169 114.554 0.140 0.000 2.770 85 T HA -0.016 4.334 4.350 -0.001 0.000 0.263 85 T C 2.120 176.982 174.700 0.270 0.000 1.039 85 T CA 0.490 62.707 62.100 0.195 0.000 1.142 85 T CB -0.115 68.928 68.868 0.292 0.000 0.868 85 T HN 0.083 8.323 8.240 0.000 0.000 0.435 86 L N 0.903 122.275 121.223 0.249 0.000 2.042 86 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 86 L C 3.006 179.998 176.870 0.203 0.000 1.076 86 L CA 1.370 56.338 54.840 0.214 0.000 0.749 86 L CB -0.754 41.314 42.059 0.015 0.000 0.893 86 L HN 0.242 8.472 8.230 0.000 0.000 0.432 87 A N 0.281 123.190 122.820 0.149 0.000 1.835 87 A HA -0.258 4.061 4.320 -0.001 0.000 0.215 87 A C 2.423 180.083 177.584 0.127 0.000 1.199 87 A CA 1.861 53.971 52.037 0.122 0.000 0.615 87 A CB -0.699 18.357 19.000 0.094 0.000 0.838 87 A HN 0.341 8.491 8.150 0.000 0.000 0.444 88 R N -0.306 120.266 120.500 0.120 0.000 2.113 88 R HA -0.137 4.203 4.340 -0.001 0.000 0.244 88 R C 1.455 177.822 176.300 0.111 0.000 1.142 88 R CA 2.001 58.159 56.100 0.097 0.000 0.953 88 R CB -0.424 29.922 30.300 0.075 0.000 0.860 88 R HN 0.522 8.792 8.270 0.000 0.000 0.438 89 L N 0.355 121.685 121.223 0.178 0.000 2.612 89 L HA 0.076 4.415 4.340 -0.001 0.000 0.230 89 L C 0.186 177.227 176.870 0.285 0.000 1.140 89 L CA 0.048 55.016 54.840 0.213 0.000 0.896 89 L CB -0.081 42.093 42.059 0.193 0.000 1.065 89 L HN 0.362 8.592 8.230 0.000 0.000 0.447 90 D N 0.545 121.073 120.400 0.212 0.000 2.746 90 D HA -0.247 4.392 4.640 -0.001 0.000 0.236 90 D C 0.521 176.890 176.300 0.116 0.000 1.129 90 D CA 0.493 54.580 54.000 0.145 0.000 0.691 90 D CB -0.750 40.110 40.800 0.100 0.000 1.077 90 D HN 0.406 8.776 8.370 0.000 0.000 0.432 91 H N -0.285 118.763 119.070 -0.038 0.000 2.913 91 H HA 0.110 4.666 4.556 -0.001 0.000 0.365 91 H C 1.613 176.861 175.328 -0.134 0.000 1.155 91 H CA 1.817 57.676 56.048 -0.315 0.000 1.417 91 H CB 0.863 30.246 29.762 -0.631 0.000 1.386 91 H HN 0.426 8.706 8.280 0.000 0.000 0.614 92 E N 2.081 122.034 120.200 -0.411 0.000 2.208 92 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 92 E C 2.196 178.847 176.600 0.085 0.000 0.988 92 E CA 1.100 57.420 56.400 -0.134 0.000 0.828 92 E CB -0.387 29.194 29.700 -0.199 0.000 0.763 92 E HN 0.626 8.986 8.360 0.000 0.000 0.478 93 S N -0.001 115.920 115.700 0.369 0.000 2.474 93 S HA -0.042 4.428 4.470 -0.001 0.000 0.235 93 S C 2.153 176.877 174.600 0.207 0.000 0.997 93 S CA 0.789 59.186 58.200 0.327 0.000 0.949 93 S CB -0.196 63.290 63.200 0.477 0.000 0.766 93 S HN 0.457 8.767 8.310 0.000 0.000 0.517 94 V N 2.732 122.752 119.914 0.176 0.000 2.231 94 V HA -0.208 3.912 4.120 -0.001 0.000 0.250 94 V C -0.422 175.740 176.094 0.114 0.000 1.058 94 V CA 2.091 64.469 62.300 0.130 0.000 1.022 94 V CB -1.786 30.103 31.823 0.110 0.000 0.640 94 V HN 0.347 8.537 8.190 0.000 0.000 0.445 95 P HA -0.216 4.204 4.420 0.000 0.000 0.214 95 P C 1.744 179.108 177.300 0.107 0.000 1.163 95 P CA 1.678 64.838 63.100 0.101 0.000 0.889 95 P CB -0.091 31.648 31.700 0.065 0.000 0.790 96 Q N -0.859 118.989 119.800 0.081 0.000 2.224 96 Q HA -0.116 4.223 4.340 -0.001 0.000 0.203 96 Q C 1.850 177.889 176.000 0.065 0.000 0.970 96 Q CA 1.255 57.096 55.803 0.064 0.000 0.865 96 Q CB -1.260 27.496 28.738 0.030 0.000 0.922 96 Q HN 0.057 8.327 8.270 0.000 0.000 0.445 97 L N 0.155 121.430 121.223 0.086 0.000 2.093 97 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 97 L C 2.104 179.008 176.870 0.057 0.000 1.085 97 L CA 1.535 56.427 54.840 0.087 0.000 0.755 97 L CB -0.824 41.316 42.059 0.135 0.000 0.904 97 L HN 0.572 8.802 8.230 0.000 0.000 0.435 98 I N -2.758 117.853 120.570 0.068 0.000 2.315 98 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 98 I C 1.888 177.997 176.117 -0.013 0.000 1.117 98 I CA 1.541 62.853 61.300 0.019 0.000 1.404 98 I CB -0.722 37.317 38.000 0.065 0.000 1.071 98 I HN 0.110 8.320 8.210 0.000 0.000 0.419 99 D N 1.360 121.799 120.400 0.065 0.000 2.117 99 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 99 D C 1.929 178.222 176.300 -0.012 0.000 0.987 99 D CA 1.830 55.864 54.000 0.057 0.000 0.829 99 D CB -0.509 40.369 40.800 0.131 0.000 0.961 99 D HN 0.609 8.979 8.370 0.000 0.000 0.460 100 N N 0.294 118.992 118.700 -0.003 0.000 2.104 100 N HA -0.089 4.650 4.740 -0.001 0.000 0.190 100 N C 2.049 177.538 175.510 -0.036 0.000 1.024 100 N CA 0.430 53.468 53.050 -0.019 0.000 0.853 100 N CB -0.028 38.455 38.487 -0.008 0.000 1.008 100 N HN 0.097 8.477 8.380 0.000 0.000 0.424 101 L N 0.672 121.869 121.223 -0.043 0.000 2.093 101 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 101 L C 2.004 178.791 176.870 -0.138 0.000 1.085 101 L CA 0.850 55.650 54.840 -0.067 0.000 0.755 101 L CB -0.250 41.767 42.059 -0.070 0.000 0.904 101 L HN 0.241 8.471 8.230 0.000 0.000 0.435 102 L N -1.452 119.652 121.223 -0.198 0.000 2.156 102 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 102 L C 2.782 179.520 176.870 -0.219 0.000 1.095 102 L CA 0.875 55.541 54.840 -0.290 0.000 0.770 102 L CB -0.425 41.394 42.059 -0.401 0.000 0.914 102 L HN 0.224 8.454 8.230 0.000 0.000 0.439 103 S N -0.119 115.491 115.700 -0.149 0.000 2.355 103 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 103 S C 2.003 176.549 174.600 -0.090 0.000 1.031 103 S CA 1.314 59.442 58.200 -0.120 0.000 0.993 103 S CB -0.136 63.017 63.200 -0.077 0.000 0.859 103 S HN 0.160 8.470 8.310 0.000 0.000 0.453 104 V N 2.442 122.320 119.914 -0.059 0.000 2.343 104 V HA -0.143 3.977 4.120 -0.001 0.000 0.247 104 V C 2.751 178.839 176.094 -0.009 0.000 1.051 104 V CA 2.246 64.538 62.300 -0.013 0.000 1.036 104 V CB -0.834 30.998 31.823 0.016 0.000 0.654 104 V HN 0.504 8.694 8.190 0.000 0.000 0.451 105 R N -0.313 120.152 120.500 -0.059 0.000 2.091 105 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 105 R C 2.373 178.636 176.300 -0.062 0.000 1.136 105 R CA 2.225 58.288 56.100 -0.062 0.000 0.959 105 R CB -0.499 29.666 30.300 -0.226 0.000 0.856 105 R HN 0.531 8.801 8.270 0.000 0.000 0.437 106 T N 1.172 115.657 114.554 -0.115 0.000 2.674 106 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 106 T C 1.521 176.162 174.700 -0.099 0.000 1.039 106 T CA 1.506 63.545 62.100 -0.102 0.000 1.150 106 T CB -0.271 68.491 68.868 -0.176 0.000 0.864 106 T HN 0.353 8.593 8.240 0.000 0.000 0.427 107 N N 1.652 120.304 118.700 -0.080 0.000 2.142 107 N HA -0.036 4.704 4.740 -0.001 0.000 0.186 107 N C 1.958 177.449 175.510 -0.033 0.000 1.023 107 N CA 0.947 53.972 53.050 -0.042 0.000 0.852 107 N CB -0.366 38.120 38.487 -0.002 0.000 0.998 107 N HN 0.471 8.851 8.380 0.000 0.000 0.424 108 I N 0.092 120.657 120.570 -0.009 0.000 2.876 108 I HA -0.005 4.165 4.170 -0.001 0.000 0.264 108 I C 1.887 177.809 176.117 -0.326 0.000 1.204 108 I CA 1.036 62.337 61.300 0.002 0.000 1.485 108 I CB -1.009 37.130 38.000 0.232 0.000 1.103 108 I HN -0.042 8.168 8.210 0.000 0.000 0.446 109 S N 1.770 117.202 115.700 -0.446 0.000 2.428 109 S HA -0.170 4.299 4.470 -0.001 0.000 0.230 109 S C 2.086 176.177 174.600 -0.848 0.000 1.014 109 S CA 1.449 58.912 58.200 -1.229 0.000 0.957 109 S CB -1.405 61.586 63.200 -0.349 0.000 0.784 109 S HN 0.708 9.018 8.310 0.000 0.000 0.499 110 T N 1.089 115.411 114.554 -0.386 0.000 2.759 110 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 110 T C 1.762 176.313 174.700 -0.249 0.000 1.042 110 T CA 1.352 63.318 62.100 -0.225 0.000 1.140 110 T CB -0.848 68.011 68.868 -0.015 0.000 0.864 110 T HN 0.496 8.736 8.240 0.000 0.000 0.455 111 I N 1.354 121.746 120.570 -0.297 0.000 2.110 111 I HA 0.006 4.176 4.170 -0.001 0.000 0.236 111 I C 2.486 178.406 176.117 -0.328 0.000 1.068 111 I CA 1.754 62.909 61.300 -0.242 0.000 1.333 111 I CB -0.551 37.342 38.000 -0.178 0.000 1.054 111 I HN 0.338 8.548 8.210 0.000 0.000 0.402 112 F N 0.495 120.148 119.950 -0.495 0.000 2.325 112 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 112 F C 2.152 177.756 175.800 -0.327 0.000 1.090 112 F CA 0.841 58.548 58.000 -0.489 0.000 1.392 112 F CB -0.861 37.722 39.000 -0.695 0.000 1.053 112 F HN -0.079 8.221 8.300 0.000 0.000 0.521 113 I N 0.805 121.108 120.570 -0.444 0.000 2.202 113 I HA -0.209 3.960 4.170 -0.001 0.000 0.242 113 I C 2.904 178.608 176.117 -0.689 0.000 1.091 113 I CA 1.364 62.346 61.300 -0.531 0.000 1.368 113 I CB -0.499 37.106 38.000 -0.659 0.000 1.058 113 I HN 0.147 8.357 8.210 0.000 0.000 0.410 114 R N 0.628 120.842 120.500 -0.477 0.000 2.091 114 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 114 R C 2.227 178.395 176.300 -0.219 0.000 1.136 114 R CA 2.196 58.106 56.100 -0.317 0.000 0.959 114 R CB -0.313 29.905 30.300 -0.138 0.000 0.856 114 R HN 0.265 8.535 8.270 0.000 0.000 0.437 115 T N 0.601 115.067 114.554 -0.147 0.000 2.746 115 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 115 T C 1.825 176.509 174.700 -0.027 0.000 1.039 115 T CA 1.303 63.366 62.100 -0.062 0.000 1.142 115 T CB -0.286 68.592 68.868 0.017 0.000 0.866 115 T HN 0.467 8.707 8.240 0.000 0.000 0.444 116 A N 1.283 124.099 122.820 -0.005 0.000 1.940 116 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 116 A C 1.950 179.654 177.584 0.201 0.000 1.176 116 A CA 1.286 53.388 52.037 0.108 0.000 0.631 116 A CB -0.838 18.223 19.000 0.102 0.000 0.814 116 A HN 0.414 8.564 8.150 0.000 0.000 0.446 117 F N -0.063 119.826 119.950 -0.102 0.000 2.186 117 F HA -0.040 4.487 4.527 -0.001 0.000 0.299 117 F C 2.517 178.135 175.800 -0.303 0.000 1.090 117 F CA 1.070 58.982 58.000 -0.147 0.000 1.307 117 F CB -0.903 38.034 39.000 -0.105 0.000 1.019 117 F HN 0.207 8.507 8.300 0.000 0.000 0.489 118 R N -0.394 119.931 120.500 -0.292 0.000 2.073 118 R HA -0.107 4.232 4.340 -0.001 0.000 0.229 118 R C 2.159 178.366 176.300 -0.154 0.000 1.120 118 R CA 1.025 56.896 56.100 -0.382 0.000 0.967 118 R CB -0.197 29.900 30.300 -0.339 0.000 0.862 118 R HN 0.236 8.506 8.270 0.000 0.000 0.436 119 Q N -0.366 119.355 119.800 -0.132 0.000 2.134 119 Q HA 0.003 4.343 4.340 -0.001 0.000 0.195 119 Q C 0.284 176.003 176.000 -0.467 0.000 0.958 119 Q CA 1.421 57.063 55.803 -0.268 0.000 0.840 119 Q CB 0.272 28.866 28.738 -0.240 0.000 0.918 119 Q HN 0.504 8.774 8.270 0.000 0.000 0.467 120 H N 0.142 119.234 119.070 0.036 0.000 2.439 120 H HA 0.159 4.715 4.556 -0.001 0.000 0.230 120 H C -1.701 173.653 175.328 0.043 0.000 1.420 120 H CA -1.336 54.733 56.048 0.035 0.000 1.305 120 H CB 0.866 30.651 29.762 0.038 0.000 1.667 120 H HN 0.077 8.357 8.280 0.000 0.000 0.515 121 P HA -0.222 4.198 4.420 0.000 0.000 0.216 121 P C 0.627 177.936 177.300 0.015 0.000 1.150 121 P CA 1.329 64.452 63.100 0.039 0.000 0.843 121 P CB 0.674 32.370 31.700 -0.007 0.000 0.787 122 D N 0.143 120.562 120.400 0.031 0.000 2.117 122 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 122 D C 2.001 178.310 176.300 0.014 0.000 0.987 122 D CA 1.291 55.296 54.000 0.009 0.000 0.829 122 D CB -0.507 40.303 40.800 0.017 0.000 0.961 122 D HN 0.146 8.516 8.370 0.000 0.000 0.460 123 K N 1.235 121.666 120.400 0.051 0.000 2.057 123 K HA -0.008 4.311 4.320 -0.001 0.000 0.207 123 K C 1.844 178.461 176.600 0.029 0.000 1.049 123 K CA 1.363 57.669 56.287 0.032 0.000 0.931 123 K CB -0.537 31.981 32.500 0.031 0.000 0.714 123 K HN 0.014 8.264 8.250 0.000 0.000 0.440 124 A N 0.637 123.499 122.820 0.070 0.000 1.908 124 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 124 A C 2.078 179.662 177.584 0.000 0.000 1.181 124 A CA 1.601 53.694 52.037 0.092 0.000 0.627 124 A CB -0.564 18.584 19.000 0.248 0.000 0.818 124 A HN 0.386 8.536 8.150 0.000 0.000 0.445 125 Q N -0.604 119.163 119.800 -0.054 0.000 2.124 125 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 125 Q C 1.977 177.927 176.000 -0.082 0.000 0.977 125 Q CA 1.623 57.366 55.803 -0.101 0.000 0.850 125 Q CB -0.386 28.286 28.738 -0.111 0.000 0.901 125 Q HN 0.867 9.137 8.270 0.000 0.000 0.429 126 E N 0.004 120.170 120.200 -0.058 0.000 2.058 126 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 126 E C 2.069 178.625 176.600 -0.074 0.000 0.997 126 E CA 1.195 57.561 56.400 -0.057 0.000 0.801 126 E CB 0.246 29.923 29.700 -0.038 0.000 0.746 126 E HN 0.092 8.452 8.360 0.000 0.000 0.450 127 V N 1.224 121.094 119.914 -0.073 0.000 2.261 127 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 127 V C 2.455 178.454 176.094 -0.158 0.000 1.047 127 V CA 1.581 63.817 62.300 -0.107 0.000 1.015 127 V CB -0.460 31.304 31.823 -0.098 0.000 0.642 127 V HN 0.329 8.519 8.190 0.000 0.000 0.446 128 L N 0.188 121.323 121.223 -0.146 0.000 2.131 128 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 128 L C 2.644 179.416 176.870 -0.165 0.000 1.092 128 L CA 1.391 56.122 54.840 -0.183 0.000 0.759 128 L CB -0.743 41.229 42.059 -0.144 0.000 0.903 128 L HN 0.373 8.603 8.230 0.000 0.000 0.435 129 A N 0.066 122.810 122.820 -0.127 0.000 2.070 129 A HA -0.207 4.113 4.320 -0.001 0.000 0.220 129 A C 2.360 179.878 177.584 -0.110 0.000 1.159 129 A CA 1.934 53.910 52.037 -0.102 0.000 0.656 129 A CB -0.923 18.028 19.000 -0.082 0.000 0.800 129 A HN 0.551 8.701 8.150 0.000 0.000 0.453 130 T N -2.387 112.080 114.554 -0.144 0.000 2.977 130 T HA 0.067 4.416 4.350 -0.001 0.000 0.271 130 T C 1.693 176.279 174.700 -0.189 0.000 1.105 130 T CA 1.331 63.338 62.100 -0.156 0.000 1.116 130 T CB -0.410 68.353 68.868 -0.175 0.000 0.878 130 T HN 0.550 8.790 8.240 0.000 0.000 0.509 131 A N 2.042 124.738 122.820 -0.207 0.000 2.014 131 A HA 0.003 4.323 4.320 -0.001 0.000 0.218 131 A C 2.212 179.747 177.584 -0.081 0.000 1.163 131 A CA 1.190 53.114 52.037 -0.188 0.000 0.652 131 A CB -0.932 18.010 19.000 -0.097 0.000 0.808 131 A HN 0.686 8.836 8.150 0.000 0.000 0.449 132 N N 0.013 118.683 118.700 -0.050 0.000 2.037 132 N HA -0.166 4.574 4.740 -0.001 0.000 0.196 132 N C 0.427 175.930 175.510 -0.011 0.000 1.034 132 N CA 1.498 54.542 53.050 -0.010 0.000 0.861 132 N CB -0.068 38.410 38.487 -0.016 0.000 1.039 132 N HN 0.380 8.760 8.380 0.000 0.000 0.427 133 E N 0.717 120.895 120.200 -0.038 0.000 2.609 133 E HA 0.114 4.464 4.350 -0.001 0.000 0.208 133 E C -0.713 175.859 176.600 -0.047 0.000 1.013 133 E CA -0.161 56.224 56.400 -0.025 0.000 1.093 133 E CB 0.370 30.059 29.700 -0.018 0.000 1.129 133 E HN 0.073 8.433 8.360 0.000 0.000 0.450 134 V N 1.353 121.208 119.914 -0.098 0.000 2.715 134 V HA 0.323 4.442 4.120 -0.001 0.000 0.299 134 V C 0.245 176.293 176.094 -0.078 0.000 1.054 134 V CA -0.260 61.940 62.300 -0.167 0.000 1.077 134 V CB 0.923 32.504 31.823 -0.404 0.000 0.972 134 V HN 0.346 8.536 8.190 0.000 0.000 0.484 135 A N 4.217 126.993 122.820 -0.073 0.000 2.445 135 A HA 0.217 4.537 4.320 -0.001 0.000 0.242 135 A C 0.497 178.139 177.584 0.096 0.000 1.075 135 A CA 0.050 52.107 52.037 0.033 0.000 0.777 135 A CB 0.009 19.060 19.000 0.086 0.000 1.013 135 A HN 0.987 9.137 8.150 0.000 0.000 0.493 136 D N 0.930 121.455 120.400 0.208 0.000 2.934 136 D HA 0.291 4.930 4.640 -0.001 0.000 0.237 136 D C -0.130 176.327 176.300 0.261 0.000 1.158 136 D CA 0.294 54.451 54.000 0.262 0.000 0.971 136 D CB -0.702 40.204 40.800 0.177 0.000 1.123 136 D HN 0.698 9.068 8.370 0.000 0.000 0.467 137 H N -2.760 116.463 119.070 0.254 0.000 2.961 137 H HA 0.653 5.208 4.556 -0.001 0.000 0.371 137 H C 0.933 176.411 175.328 0.251 0.000 1.190 137 H CA -0.574 55.584 56.048 0.183 0.000 1.138 137 H CB 1.005 30.847 29.762 0.133 0.000 1.816 137 H HN -0.163 8.117 8.280 0.000 0.000 0.551 138 A N 1.669 124.697 122.820 0.347 0.000 1.896 138 A HA -0.347 3.973 4.320 -0.001 0.000 0.220 138 A C 1.493 179.296 177.584 0.364 0.000 1.206 138 A CA 2.554 54.804 52.037 0.355 0.000 0.647 138 A CB -1.090 18.092 19.000 0.303 0.000 0.828 138 A HN 0.880 9.030 8.150 0.000 0.000 0.455 139 D N -0.528 120.129 120.400 0.427 0.000 2.097 139 D HA 0.022 4.662 4.640 -0.001 0.000 0.195 139 D C 2.264 178.646 176.300 0.138 0.000 0.989 139 D CA 1.654 55.849 54.000 0.325 0.000 0.827 139 D CB -0.346 40.697 40.800 0.405 0.000 0.966 139 D HN 0.476 8.846 8.370 0.000 0.000 0.456 140 A N -0.225 122.476 122.820 -0.198 0.000 1.902 140 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 140 A C 1.993 179.450 177.584 -0.212 0.000 1.181 140 A CA 1.028 52.886 52.037 -0.299 0.000 0.623 140 A CB -0.960 17.659 19.000 -0.634 0.000 0.818 140 A HN 0.177 8.327 8.150 0.000 0.000 0.443 141 F N 0.085 119.892 119.950 -0.239 0.000 2.146 141 F HA -0.049 4.478 4.527 -0.001 0.000 0.298 141 F C 2.781 178.410 175.800 -0.286 0.000 1.096 141 F CA 1.046 58.815 58.000 -0.384 0.000 1.275 141 F CB -0.416 38.173 39.000 -0.685 0.000 1.008 141 F HN 0.260 8.560 8.300 0.000 0.000 0.480 142 A N -0.292 122.670 122.820 0.237 0.000 1.883 142 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 142 A C 2.049 179.816 177.584 0.304 0.000 1.186 142 A CA 2.017 54.330 52.037 0.460 0.000 0.624 142 A CB -0.851 18.426 19.000 0.461 0.000 0.822 142 A HN 0.369 8.519 8.150 0.000 0.000 0.444 143 E N -0.176 120.120 120.200 0.159 0.000 2.031 143 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 143 E C 1.827 178.452 176.600 0.042 0.000 0.994 143 E CA 1.507 57.969 56.400 0.102 0.000 0.800 143 E CB -0.477 29.250 29.700 0.046 0.000 0.752 143 E HN 0.414 8.774 8.360 0.000 0.000 0.447 144 L N 1.066 122.237 121.223 -0.087 0.000 1.990 144 L HA -0.192 4.147 4.340 -0.001 0.000 0.213 144 L C 1.996 178.791 176.870 -0.126 0.000 1.072 144 L CA 2.740 57.457 54.840 -0.204 0.000 0.755 144 L CB -1.023 40.775 42.059 -0.435 0.000 0.889 144 L HN 0.291 8.521 8.230 0.000 0.000 0.432 145 D N -2.113 118.322 120.400 0.060 0.000 2.104 145 D HA -0.328 4.311 4.640 -0.001 0.000 0.194 145 D C 2.128 178.657 176.300 0.380 0.000 0.994 145 D CA 1.744 55.977 54.000 0.390 0.000 0.830 145 D CB -0.351 40.901 40.800 0.753 0.000 0.959 145 D HN 0.525 8.895 8.370 0.000 0.000 0.452 146 Y N 1.157 121.511 120.300 0.091 0.000 2.128 146 Y HA -0.197 4.353 4.550 -0.001 0.000 0.284 146 Y C 1.892 177.641 175.900 -0.252 0.000 1.154 146 Y CA 1.819 59.632 58.100 -0.479 0.000 1.149 146 Y CB -0.515 37.544 38.460 -0.668 0.000 0.976 146 Y HN 0.021 8.301 8.280 0.000 0.000 0.505 147 N N 0.406 118.931 118.700 -0.292 0.000 2.244 147 N HA -0.156 4.583 4.740 -0.001 0.000 0.183 147 N C 1.991 177.298 175.510 -0.338 0.000 1.016 147 N CA 1.671 54.516 53.050 -0.342 0.000 0.866 147 N CB -0.301 38.095 38.487 -0.152 0.000 0.980 147 N HN 0.463 8.843 8.380 0.000 0.000 0.430 148 I N -0.241 120.170 120.570 -0.266 0.000 2.233 148 I HA -0.199 3.971 4.170 -0.001 0.000 0.243 148 I C 1.664 177.628 176.117 -0.254 0.000 1.093 148 I CA 0.879 62.001 61.300 -0.297 0.000 1.380 148 I CB -0.186 37.545 38.000 -0.449 0.000 1.067 148 I HN -0.064 8.146 8.210 0.000 0.000 0.413 149 F N 0.749 120.615 119.950 -0.140 0.000 2.134 149 F HA -0.189 4.337 4.527 -0.001 0.000 0.299 149 F C 2.755 178.376 175.800 -0.299 0.000 1.097 149 F CA 1.514 59.509 58.000 -0.008 0.000 1.264 149 F CB -0.359 38.747 39.000 0.178 0.000 1.001 149 F HN -0.093 8.207 8.300 0.000 0.000 0.479 150 R N 0.190 120.389 120.500 -0.502 0.000 2.073 150 R HA -0.057 4.282 4.340 -0.001 0.000 0.229 150 R C 2.487 178.158 176.300 -1.047 0.000 1.120 150 R CA 1.261 56.805 56.100 -0.926 0.000 0.967 150 R CB -0.845 28.722 30.300 -1.222 0.000 0.862 150 R HN 0.339 8.609 8.270 0.000 0.000 0.436 151 G N 0.909 109.332 108.800 -0.628 0.000 2.422 151 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 151 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 151 G C 1.396 176.163 174.900 -0.222 0.000 1.146 151 G CA 0.600 45.495 45.100 -0.341 0.000 0.769 151 G HN 0.236 8.526 8.290 0.000 0.000 0.547 152 L N 0.413 121.510 121.223 -0.210 0.000 2.156 152 L HA 0.049 4.389 4.340 -0.001 0.000 0.208 152 L C 3.367 180.177 176.870 -0.100 0.000 1.095 152 L CA 0.715 55.520 54.840 -0.058 0.000 0.770 152 L CB -0.352 41.714 42.059 0.011 0.000 0.914 152 L HN 0.306 8.536 8.230 0.000 0.000 0.439 153 A N 0.405 122.910 122.820 -0.525 0.000 1.877 153 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 153 A C 1.996 179.446 177.584 -0.222 0.000 1.186 153 A CA 1.484 52.970 52.037 -0.917 0.000 0.620 153 A CB -0.714 17.559 19.000 -1.212 0.000 0.822 153 A HN 0.264 8.414 8.150 0.000 0.000 0.443 154 F N 0.286 120.114 119.950 -0.202 0.000 2.095 154 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 154 F C 2.827 178.575 175.800 -0.087 0.000 1.104 154 F CA 0.434 58.361 58.000 -0.121 0.000 1.232 154 F CB -1.319 37.607 39.000 -0.123 0.000 0.987 154 F HN 0.262 8.562 8.300 0.000 0.000 0.475 155 A N -0.047 122.844 122.820 0.119 0.000 2.125 155 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 155 A C 2.310 179.997 177.584 0.172 0.000 1.156 155 A CA 1.567 53.653 52.037 0.082 0.000 0.671 155 A CB -1.083 17.973 19.000 0.092 0.000 0.794 155 A HN 0.433 8.583 8.150 0.000 0.000 0.459 156 S N -1.736 114.062 115.700 0.163 0.000 2.447 156 S HA 0.232 4.702 4.470 -0.001 0.000 0.233 156 S C 1.699 176.455 174.600 0.260 0.000 1.006 156 S CA 1.377 59.698 58.200 0.203 0.000 0.957 156 S CB -0.537 62.784 63.200 0.201 0.000 0.773 156 S HN 1.887 10.197 8.310 0.000 0.000 0.507 157 G N 1.254 110.180 108.800 0.210 0.000 2.195 157 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.246 157 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.246 157 G C -0.039 174.951 174.900 0.149 0.000 0.984 157 G CA 0.095 45.312 45.100 0.194 0.000 0.633 157 G HN 0.667 8.957 8.290 0.000 0.000 0.525 158 N N 1.258 120.070 118.700 0.185 0.000 2.546 158 N HA 0.410 5.150 4.740 -0.001 0.000 0.238 158 N C -0.839 174.747 175.510 0.127 0.000 0.984 158 N CA -1.717 51.425 53.050 0.153 0.000 0.935 158 N CB 1.878 40.504 38.487 0.232 0.000 1.122 158 N HN 0.128 8.508 8.380 0.000 0.000 0.510 159 P HA -0.079 4.341 4.420 0.000 0.000 0.228 159 P C 1.459 178.770 177.300 0.018 0.000 1.151 159 P CA 0.339 63.470 63.100 0.051 0.000 0.770 159 P CB 0.542 32.236 31.700 -0.009 0.000 0.786 160 I N -1.059 119.463 120.570 -0.080 0.000 2.286 160 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 160 I C 2.358 178.362 176.117 -0.189 0.000 1.115 160 I CA 1.328 62.529 61.300 -0.165 0.000 1.392 160 I CB -1.861 35.972 38.000 -0.277 0.000 1.065 160 I HN -0.059 8.151 8.210 0.000 0.000 0.418 161 Y N 1.370 121.678 120.300 0.012 0.000 2.224 161 Y HA -0.134 4.415 4.550 -0.001 0.000 0.289 161 Y C 2.752 178.580 175.900 -0.121 0.000 1.146 161 Y CA 1.391 59.450 58.100 -0.068 0.000 1.182 161 Y CB -1.306 37.031 38.460 -0.206 0.000 0.983 161 Y HN 0.166 8.446 8.280 0.000 0.000 0.524 162 G N -0.333 108.525 108.800 0.096 0.000 2.408 162 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 162 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 162 G C 1.674 176.684 174.900 0.184 0.000 1.150 162 G CA 0.863 46.074 45.100 0.186 0.000 0.776 162 G HN 0.364 8.654 8.290 0.000 0.000 0.542 163 L N 0.010 121.307 121.223 0.123 0.000 2.141 163 L HA 0.013 4.352 4.340 -0.001 0.000 0.209 163 L C 2.806 179.724 176.870 0.080 0.000 1.094 163 L CA 0.495 55.388 54.840 0.088 0.000 0.763 163 L CB -0.349 41.732 42.059 0.036 0.000 0.908 163 L HN 0.204 8.434 8.230 0.000 0.000 0.437 164 I N -0.153 120.459 120.570 0.070 0.000 2.142 164 I HA -0.319 3.851 4.170 -0.001 0.000 0.240 164 I C 2.422 178.613 176.117 0.123 0.000 1.078 164 I CA 1.479 62.834 61.300 0.091 0.000 1.343 164 I CB -0.209 37.860 38.000 0.115 0.000 1.046 164 I HN 0.196 8.406 8.210 0.000 0.000 0.405 165 L N 0.373 121.670 121.223 0.123 0.000 2.141 165 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 165 L C 2.218 179.225 176.870 0.229 0.000 1.094 165 L CA 0.877 55.818 54.840 0.168 0.000 0.763 165 L CB -0.785 41.298 42.059 0.039 0.000 0.908 165 L HN 0.305 8.535 8.230 0.000 0.000 0.437 166 N N 0.596 119.410 118.700 0.190 0.000 2.133 166 N HA -0.194 4.546 4.740 -0.001 0.000 0.193 166 N C 1.764 177.359 175.510 0.142 0.000 1.012 166 N CA 1.729 54.903 53.050 0.207 0.000 0.871 166 N CB -0.530 38.059 38.487 0.169 0.000 1.011 166 N HN 0.419 8.799 8.380 0.000 0.000 0.435 167 G N -0.701 108.167 108.800 0.113 0.000 2.551 167 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.216 167 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.216 167 G C 1.329 176.261 174.900 0.053 0.000 1.137 167 G CA 0.139 45.282 45.100 0.071 0.000 0.798 167 G HN 0.177 8.467 8.290 0.000 0.000 0.536 168 M N 0.602 120.259 119.600 0.095 0.000 2.557 168 M HA 0.215 4.695 4.480 -0.001 0.000 0.259 168 M C 2.201 178.492 176.300 -0.015 0.000 1.086 168 M CA 0.243 55.606 55.300 0.105 0.000 1.096 168 M CB -0.010 32.739 32.600 0.247 0.000 1.424 168 M HN -0.037 8.253 8.290 0.000 0.000 0.488 169 K N 0.738 120.957 120.400 -0.302 0.000 2.030 169 K HA -0.213 4.107 4.320 -0.001 0.000 0.222 169 K C 1.939 178.373 176.600 -0.278 0.000 1.056 169 K CA 2.248 58.102 56.287 -0.721 0.000 0.957 169 K CB -1.167 30.961 32.500 -0.619 0.000 0.727 169 K HN 0.447 8.697 8.250 0.000 0.000 0.452 170 G N 1.267 109.995 108.800 -0.122 0.000 2.421 170 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 170 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 170 G C 1.650 176.563 174.900 0.022 0.000 1.171 170 G CA 0.951 46.032 45.100 -0.031 0.000 0.775 170 G HN 0.351 8.641 8.290 0.000 0.000 0.543 171 L N -0.655 120.589 121.223 0.035 0.000 2.017 171 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 171 L C 2.488 179.400 176.870 0.069 0.000 1.073 171 L CA 1.833 56.704 54.840 0.050 0.000 0.745 171 L CB -0.879 41.208 42.059 0.047 0.000 0.894 171 L HN 0.366 8.596 8.230 0.000 0.000 0.432 172 Y N 0.419 120.684 120.300 -0.058 0.000 2.014 172 Y HA -0.416 4.134 4.550 -0.001 0.000 0.272 172 Y C 2.822 178.728 175.900 0.011 0.000 1.164 172 Y CA 3.171 61.250 58.100 -0.034 0.000 1.114 172 Y CB -0.533 37.895 38.460 -0.052 0.000 0.961 172 Y HN 0.477 8.757 8.280 0.000 0.000 0.489 173 T N -1.262 113.473 114.554 0.301 0.000 2.881 173 T HA -0.233 4.117 4.350 -0.001 0.000 0.270 173 T C 1.913 176.736 174.700 0.205 0.000 1.068 173 T CA 1.438 63.699 62.100 0.268 0.000 1.131 173 T CB -0.492 68.465 68.868 0.149 0.000 0.871 173 T HN 0.404 8.644 8.240 0.000 0.000 0.479 174 R N 0.496 121.079 120.500 0.137 0.000 2.070 174 R HA -0.013 4.327 4.340 -0.001 0.000 0.232 174 R C 2.357 178.734 176.300 0.128 0.000 1.138 174 R CA 1.799 57.970 56.100 0.119 0.000 0.936 174 R CB -0.536 29.813 30.300 0.081 0.000 0.839 174 R HN 0.425 8.695 8.270 0.000 0.000 0.429 175 I N 0.350 120.947 120.570 0.044 0.000 2.163 175 I HA -0.181 3.989 4.170 -0.001 0.000 0.243 175 I C 2.480 178.590 176.117 -0.011 0.000 1.085 175 I CA 1.854 63.120 61.300 -0.057 0.000 1.347 175 I CB -0.713 37.085 38.000 -0.336 0.000 1.044 175 I HN 0.414 8.624 8.210 0.000 0.000 0.408 176 G N -0.178 108.661 108.800 0.066 0.000 2.440 176 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 176 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 176 G C 1.868 177.020 174.900 0.420 0.000 1.154 176 G CA 0.798 46.066 45.100 0.280 0.000 0.767 176 G HN 0.224 8.514 8.290 0.000 0.000 0.552 177 R N -0.914 119.800 120.500 0.358 0.000 2.096 177 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 177 R C 2.323 178.829 176.300 0.344 0.000 1.127 177 R CA 1.526 57.835 56.100 0.349 0.000 0.968 177 R CB -0.384 30.079 30.300 0.273 0.000 0.861 177 R HN 0.568 8.838 8.270 0.000 0.000 0.440 178 H N -1.239 117.974 119.070 0.238 0.000 2.333 178 H HA -0.146 4.410 4.556 -0.001 0.000 0.302 178 H C 1.606 177.107 175.328 0.289 0.000 1.075 178 H CA 1.928 58.131 56.048 0.258 0.000 1.348 178 H CB -0.355 29.605 29.762 0.330 0.000 1.393 178 H HN 0.244 8.524 8.280 0.000 0.000 0.509 179 Y N 0.060 120.442 120.300 0.136 0.000 2.145 179 Y HA -0.167 4.383 4.550 -0.001 0.000 0.286 179 Y C 1.340 177.123 175.900 -0.195 0.000 1.145 179 Y CA 1.552 59.604 58.100 -0.080 0.000 1.148 179 Y CB -0.706 37.495 38.460 -0.432 0.000 0.981 179 Y HN 0.171 8.451 8.280 0.000 0.000 0.507 180 F N 0.117 120.080 119.950 0.022 0.000 2.795 180 F HA 0.171 4.697 4.527 -0.001 0.000 0.303 180 F C 2.108 177.850 175.800 -0.096 0.000 1.186 180 F CA 0.439 58.375 58.000 -0.106 0.000 1.415 180 F CB -0.960 38.119 39.000 0.132 0.000 1.106 180 F HN 0.183 8.483 8.300 0.000 0.000 0.558 181 A N -0.697 122.153 122.820 0.049 0.000 2.067 181 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 181 A C 1.312 178.867 177.584 -0.047 0.000 1.156 181 A CA 0.367 52.427 52.037 0.038 0.000 0.683 181 A CB -0.434 18.583 19.000 0.027 0.000 0.808 181 A HN 0.236 8.386 8.150 0.000 0.000 0.455 182 N N 0.707 119.320 118.700 -0.145 0.000 2.430 182 N HA 0.149 4.889 4.740 -0.001 0.000 0.265 182 N C -1.727 173.682 175.510 -0.169 0.000 1.100 182 N CA -2.195 50.753 53.050 -0.169 0.000 0.961 182 N CB 1.367 39.709 38.487 -0.241 0.000 1.075 182 N HN 0.035 8.415 8.380 0.000 0.000 0.478 183 P HA -0.134 4.286 4.420 0.000 0.000 0.219 183 P C 0.519 177.739 177.300 -0.133 0.000 1.146 183 P CA 1.236 64.261 63.100 -0.124 0.000 0.808 183 P CB 0.526 32.183 31.700 -0.071 0.000 0.779 184 E N -0.138 119.991 120.200 -0.118 0.000 2.150 184 E HA -0.071 4.278 4.350 -0.001 0.000 0.193 184 E C 2.206 178.741 176.600 -0.109 0.000 0.985 184 E CA 0.893 57.239 56.400 -0.091 0.000 0.814 184 E CB -0.326 29.333 29.700 -0.069 0.000 0.752 184 E HN 0.190 8.550 8.360 0.000 0.000 0.466 185 A N 1.392 124.074 122.820 -0.231 0.000 1.930 185 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 185 A C 2.024 179.596 177.584 -0.020 0.000 1.175 185 A CA 1.037 52.862 52.037 -0.353 0.000 0.627 185 A CB -0.264 18.043 19.000 -1.155 0.000 0.815 185 A HN 0.077 8.227 8.150 0.000 0.000 0.443 186 R N -0.669 119.740 120.500 -0.152 0.000 2.075 186 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 186 R C 2.624 178.801 176.300 -0.206 0.000 1.126 186 R CA 1.419 57.216 56.100 -0.506 0.000 0.963 186 R CB -0.435 29.236 30.300 -1.048 0.000 0.858 186 R HN 0.568 8.838 8.270 0.000 0.000 0.435 187 S N 1.118 116.762 115.700 -0.093 0.000 2.355 187 S HA -0.118 4.352 4.470 -0.001 0.000 0.222 187 S C 1.957 176.601 174.600 0.075 0.000 1.031 187 S CA 0.868 59.071 58.200 0.005 0.000 0.993 187 S CB -0.130 63.067 63.200 -0.006 0.000 0.859 187 S HN 0.216 8.526 8.310 0.000 0.000 0.453 188 L N 1.788 123.079 121.223 0.113 0.000 2.083 188 L HA 0.080 4.419 4.340 -0.001 0.000 0.209 188 L C 2.554 179.589 176.870 0.276 0.000 1.083 188 L CA 1.986 56.952 54.840 0.209 0.000 0.752 188 L CB -1.065 41.139 42.059 0.242 0.000 0.899 188 L HN 0.378 8.608 8.230 0.000 0.000 0.433 189 A N -0.652 122.342 122.820 0.291 0.000 1.877 189 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 189 A C 2.246 179.561 177.584 -0.448 0.000 1.186 189 A CA 1.931 53.985 52.037 0.029 0.000 0.620 189 A CB -0.869 18.378 19.000 0.411 0.000 0.822 189 A HN 0.478 8.628 8.150 0.000 0.000 0.443 190 L N -0.735 120.485 121.223 -0.004 0.000 2.083 190 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 190 L C 2.830 179.727 176.870 0.046 0.000 1.083 190 L CA 1.077 55.975 54.840 0.097 0.000 0.752 190 L CB -0.847 41.352 42.059 0.233 0.000 0.899 190 L HN 0.507 8.737 8.230 0.000 0.000 0.433 191 G N -0.305 108.525 108.800 0.050 0.000 2.422 191 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.218 191 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.218 191 G C 1.460 176.417 174.900 0.095 0.000 1.146 191 G CA 0.562 45.707 45.100 0.076 0.000 0.769 191 G HN 0.290 8.580 8.290 0.000 0.000 0.547 192 F N 0.976 120.811 119.950 -0.192 0.000 2.113 192 F HA -0.012 4.515 4.527 -0.001 0.000 0.297 192 F C 2.455 178.154 175.800 -0.168 0.000 1.103 192 F CA 0.741 58.555 58.000 -0.309 0.000 1.248 192 F CB -0.396 38.074 39.000 -0.883 0.000 0.999 192 F HN 0.198 8.498 8.300 0.000 0.000 0.475 193 Y N -0.535 119.638 120.300 -0.213 0.000 2.224 193 Y HA -0.214 4.336 4.550 -0.001 0.000 0.289 193 Y C 2.913 178.705 175.900 -0.181 0.000 1.146 193 Y CA 1.521 59.437 58.100 -0.307 0.000 1.182 193 Y CB -1.771 36.612 38.460 -0.128 0.000 0.983 193 Y HN 0.282 8.562 8.280 0.000 0.000 0.524 194 H N 0.806 119.882 119.070 0.009 0.000 2.353 194 H HA -0.148 4.408 4.556 -0.001 0.000 0.300 194 H C 2.146 177.445 175.328 -0.049 0.000 1.090 194 H CA 1.966 58.009 56.048 -0.009 0.000 1.327 194 H CB 0.214 29.987 29.762 0.018 0.000 1.383 194 H HN 0.203 8.483 8.280 0.000 0.000 0.508 195 K N 1.058 121.506 120.400 0.079 0.000 2.147 195 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 195 K C 2.542 179.105 176.600 -0.061 0.000 1.049 195 K CA 0.922 57.230 56.287 0.035 0.000 0.936 195 K CB -0.588 31.962 32.500 0.084 0.000 0.722 195 K HN 0.316 8.566 8.250 0.000 0.000 0.446 196 L N 0.051 121.177 121.223 -0.162 0.000 2.056 196 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 196 L C 2.504 179.293 176.870 -0.136 0.000 1.078 196 L CA 1.497 56.288 54.840 -0.082 0.000 0.749 196 L CB -0.679 41.249 42.059 -0.219 0.000 0.901 196 L HN 0.311 8.541 8.230 0.000 0.000 0.433 197 S N -0.187 115.387 115.700 -0.210 0.000 2.356 197 S HA -0.198 4.272 4.470 -0.001 0.000 0.223 197 S C 2.140 176.555 174.600 -0.307 0.000 1.032 197 S CA 1.323 59.348 58.200 -0.292 0.000 1.005 197 S CB -0.074 62.957 63.200 -0.282 0.000 0.867 197 S HN 0.435 8.745 8.310 0.000 0.000 0.449 198 A N 1.612 124.280 122.820 -0.254 0.000 1.883 198 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 198 A C 2.240 179.730 177.584 -0.157 0.000 1.186 198 A CA 1.640 53.565 52.037 -0.185 0.000 0.624 198 A CB -0.961 17.975 19.000 -0.106 0.000 0.822 198 A HN 0.584 8.734 8.150 0.000 0.000 0.444 199 L N -0.973 120.177 121.223 -0.121 0.000 2.079 199 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 199 L C 2.823 179.578 176.870 -0.191 0.000 1.081 199 L CA 1.417 56.221 54.840 -0.061 0.000 0.752 199 L CB -0.717 41.407 42.059 0.108 0.000 0.896 199 L HN 0.679 8.909 8.230 0.000 0.000 0.433 200 C N -1.031 117.921 119.300 -0.581 0.000 2.457 200 C HA -0.099 4.361 4.460 -0.001 0.000 0.278 200 C C 3.182 177.944 174.990 -0.381 0.000 1.309 200 C CA 1.137 59.621 59.018 -0.891 0.000 1.735 200 C CB -0.436 26.305 27.740 -1.664 0.000 1.992 200 C HN 0.478 8.708 8.230 0.000 0.000 0.493 201 S N 0.308 115.828 115.700 -0.300 0.000 2.368 201 S HA -0.147 4.322 4.470 -0.001 0.000 0.225 201 S C 1.562 176.085 174.600 -0.127 0.000 1.030 201 S CA 1.628 59.718 58.200 -0.185 0.000 0.999 201 S CB -0.336 62.766 63.200 -0.165 0.000 0.844 201 S HN 0.745 9.055 8.310 0.000 0.000 0.459 202 E N 0.004 120.132 120.200 -0.119 0.000 2.502 202 E HA 0.177 4.527 4.350 -0.001 0.000 0.194 202 E C 1.132 177.671 176.600 -0.101 0.000 1.062 202 E CA 0.248 56.596 56.400 -0.088 0.000 0.867 202 E CB -0.071 29.590 29.700 -0.066 0.000 0.888 202 E HN 0.516 8.876 8.360 0.000 0.000 0.510 203 G N 1.445 110.185 108.800 -0.101 0.000 2.225 203 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.267 203 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.267 203 G C 0.429 175.120 174.900 -0.348 0.000 1.024 203 G CA 0.271 45.278 45.100 -0.156 0.000 0.784 203 G HN 0.399 8.689 8.290 0.000 0.000 0.507 204 A N 0.074 122.832 122.820 -0.102 0.000 3.118 204 A HA 0.592 4.911 4.320 -0.001 0.000 0.256 204 A C 1.158 178.816 177.584 0.123 0.000 1.667 204 A CA 0.617 52.626 52.037 -0.047 0.000 1.338 204 A CB -0.618 18.386 19.000 0.006 0.000 1.127 204 A HN 0.749 8.899 8.150 0.000 0.000 0.634 205 H N 0.703 119.847 119.070 0.122 0.000 2.422 205 H HA -0.178 4.378 4.556 -0.001 0.000 0.298 205 H C 1.397 176.786 175.328 0.101 0.000 1.098 205 H CA 1.213 57.347 56.048 0.145 0.000 1.315 205 H CB 0.265 30.090 29.762 0.105 0.000 1.382 205 H HN 0.748 9.028 8.280 0.000 0.000 0.523 206 D N 1.136 121.640 120.400 0.174 0.000 2.219 206 D HA -0.158 4.482 4.640 -0.001 0.000 0.205 206 D C 1.495 177.873 176.300 0.130 0.000 0.970 206 D CA 0.788 54.860 54.000 0.120 0.000 0.851 206 D CB -0.255 40.585 40.800 0.066 0.000 0.943 206 D HN 0.524 8.894 8.370 0.000 0.000 0.488 207 Q N 0.313 120.193 119.800 0.134 0.000 2.425 207 Q HA 0.082 4.421 4.340 -0.001 0.000 0.204 207 Q C 2.304 178.395 176.000 0.153 0.000 0.933 207 Q CA -0.126 55.758 55.803 0.134 0.000 0.939 207 Q CB 0.669 29.472 28.738 0.109 0.000 1.044 207 Q HN 0.125 8.395 8.270 0.000 0.000 0.513 208 V N 0.353 120.364 119.914 0.161 0.000 2.287 208 V HA -0.315 3.804 4.120 -0.001 0.000 0.248 208 V C 1.861 178.013 176.094 0.096 0.000 1.053 208 V CA 2.023 64.388 62.300 0.108 0.000 1.027 208 V CB -0.619 31.206 31.823 0.004 0.000 0.646 208 V HN 0.416 8.606 8.190 0.000 0.000 0.447 209 Y N 1.733 122.046 120.300 0.022 0.000 2.081 209 Y HA -0.336 4.213 4.550 -0.001 0.000 0.280 209 Y C 2.765 178.696 175.900 0.052 0.000 1.163 209 Y CA 2.533 60.644 58.100 0.017 0.000 1.135 209 Y CB -0.341 38.126 38.460 0.011 0.000 0.970 209 Y HN 0.572 8.852 8.280 0.000 0.000 0.498 210 E N -1.937 118.327 120.200 0.107 0.000 2.150 210 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 210 E C 1.907 178.530 176.600 0.039 0.000 0.985 210 E CA 1.666 58.095 56.400 0.047 0.000 0.814 210 E CB -0.638 29.145 29.700 0.138 0.000 0.752 210 E HN 0.371 8.731 8.360 0.000 0.000 0.466 211 T N 0.955 115.568 114.554 0.097 0.000 2.746 211 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 211 T C 2.003 176.838 174.700 0.226 0.000 1.039 211 T CA 1.417 63.623 62.100 0.176 0.000 1.142 211 T CB -0.140 68.853 68.868 0.208 0.000 0.866 211 T HN 0.049 8.289 8.240 0.000 0.000 0.444 212 V N 1.611 121.618 119.914 0.154 0.000 2.307 212 V HA -0.115 4.005 4.120 -0.001 0.000 0.245 212 V C 2.728 178.792 176.094 -0.050 0.000 1.045 212 V CA 1.369 63.749 62.300 0.134 0.000 1.024 212 V CB -0.463 31.398 31.823 0.062 0.000 0.651 212 V HN 0.332 8.522 8.190 0.000 0.000 0.449 213 R N 0.113 120.498 120.500 -0.191 0.000 2.091 213 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 213 R C 2.378 178.631 176.300 -0.077 0.000 1.136 213 R CA 1.729 57.685 56.100 -0.239 0.000 0.959 213 R CB -0.702 29.403 30.300 -0.325 0.000 0.856 213 R HN 0.462 8.732 8.270 0.000 0.000 0.437 214 R N -0.063 120.462 120.500 0.041 0.000 2.081 214 R HA -0.197 4.142 4.340 -0.001 0.000 0.235 214 R C 2.217 178.558 176.300 0.069 0.000 1.131 214 R CA 1.516 57.687 56.100 0.119 0.000 0.960 214 R CB -0.419 29.954 30.300 0.122 0.000 0.856 214 R HN 0.205 8.475 8.270 0.000 0.000 0.436 215 Y N 0.480 120.707 120.300 -0.122 0.000 2.293 215 Y HA 0.005 4.554 4.550 -0.001 0.000 0.291 215 Y C 1.949 177.687 175.900 -0.270 0.000 1.137 215 Y CA 1.524 59.458 58.100 -0.277 0.000 1.202 215 Y CB -0.616 37.369 38.460 -0.792 0.000 0.990 215 Y HN 0.161 8.441 8.280 0.000 0.000 0.537 216 G N -0.518 108.092 108.800 -0.316 0.000 2.433 216 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 216 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 216 G C 1.535 176.224 174.900 -0.352 0.000 1.186 216 G CA 1.097 45.957 45.100 -0.401 0.000 0.779 216 G HN 0.451 8.741 8.290 0.000 0.000 0.543 217 H N 0.793 119.752 119.070 -0.185 0.000 2.290 217 H HA -0.039 4.517 4.556 -0.001 0.000 0.298 217 H C 2.722 177.970 175.328 -0.133 0.000 1.087 217 H CA 1.557 57.534 56.048 -0.119 0.000 1.291 217 H CB -0.063 29.659 29.762 -0.067 0.000 1.369 217 H HN 0.286 8.566 8.280 0.000 0.000 0.492 218 E N 0.581 120.773 120.200 -0.014 0.000 2.077 218 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 218 E C 2.389 178.907 176.600 -0.137 0.000 0.989 218 E CA 1.232 57.599 56.400 -0.055 0.000 0.800 218 E CB -0.322 29.363 29.700 -0.025 0.000 0.746 218 E HN 0.509 8.869 8.360 0.000 0.000 0.452 219 S N 0.066 115.546 115.700 -0.366 0.000 2.423 219 S HA -0.046 4.424 4.470 -0.001 0.000 0.231 219 S C 2.194 176.632 174.600 -0.270 0.000 1.014 219 S CA 1.058 59.028 58.200 -0.383 0.000 0.965 219 S CB -0.600 62.068 63.200 -0.887 0.000 0.785 219 S HN 0.269 8.579 8.310 0.000 0.000 0.495 220 G N 1.887 110.526 108.800 -0.268 0.000 2.418 220 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.217 220 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.217 220 G C 1.515 176.354 174.900 -0.102 0.000 1.158 220 G CA 0.693 45.652 45.100 -0.235 0.000 0.771 220 G HN 0.473 8.763 8.290 0.000 0.000 0.545 221 E N 0.599 120.816 120.200 0.029 0.000 2.077 221 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 221 E C 2.631 179.273 176.600 0.070 0.000 0.989 221 E CA 0.567 57.022 56.400 0.091 0.000 0.800 221 E CB -0.253 29.481 29.700 0.057 0.000 0.746 221 E HN 0.520 8.880 8.360 0.000 0.000 0.452 222 I N 0.335 120.947 120.570 0.069 0.000 2.179 222 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 222 I C 2.593 178.812 176.117 0.171 0.000 1.088 222 I CA 1.104 62.468 61.300 0.107 0.000 1.357 222 I CB -0.441 37.645 38.000 0.143 0.000 1.051 222 I HN 0.262 8.472 8.210 0.000 0.000 0.409 223 W N 2.208 123.502 121.300 -0.011 0.000 2.333 223 W HA -0.278 4.381 4.660 -0.001 0.000 0.316 223 W C 2.567 179.029 176.519 -0.096 0.000 1.215 223 W CA 2.032 59.321 57.345 -0.094 0.000 1.278 223 W CB -0.522 28.684 29.460 -0.423 0.000 1.154 223 W HN 0.244 8.424 8.180 0.000 0.000 0.486 224 H N -0.312 118.701 119.070 -0.095 0.000 2.319 224 H HA -0.156 4.399 4.556 -0.001 0.000 0.299 224 H C 2.450 177.654 175.328 -0.207 0.000 1.092 224 H CA 2.329 58.242 56.048 -0.224 0.000 1.302 224 H CB -0.288 29.428 29.762 -0.077 0.000 1.373 224 H HN 0.054 8.334 8.280 0.000 0.000 0.497 225 R N 0.166 120.669 120.500 0.005 0.000 2.103 225 R HA -0.171 4.168 4.340 -0.001 0.000 0.242 225 R C 1.943 178.183 176.300 -0.099 0.000 1.142 225 R CA 1.634 57.712 56.100 -0.036 0.000 0.960 225 R CB -0.211 30.078 30.300 -0.019 0.000 0.858 225 R HN 0.333 8.603 8.270 0.000 0.000 0.439 226 M N 0.381 119.889 119.600 -0.152 0.000 2.576 226 M HA -0.062 4.417 4.480 -0.001 0.000 0.247 226 M C 0.611 176.736 176.300 -0.291 0.000 1.291 226 M CA 1.076 56.249 55.300 -0.211 0.000 1.052 226 M CB -0.268 32.194 32.600 -0.230 0.000 0.975 226 M HN 0.121 8.411 8.290 0.000 0.000 0.515 227 Q N 0.000 119.487 119.800 -0.521 0.000 2.315 227 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 227 Q CA 0.000 55.495 55.803 -0.513 0.000 1.022 227 Q CB 0.000 28.405 28.738 -0.555 0.000 1.108 227 Q HN 0.000 8.270 8.270 0.000 0.000 0.481