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 2pmw_1_B DATA FIRST_RESID 153 DATA SEQUENCE SIPWNLERIT PPRYRXXXXX XXXGGSLVEV YLLDTSIQSD HREIEGRVMV DATA SEQUENCE TDFENVPEEX XXXXXXQASK cDSHGTHLAG VVSGRDAGVA KGASMRSLRV DATA SEQUENCE LNcQGKGTVS GTLIGLEFIR KSQLVQPVGP LVVLLPLAGG YSRVLNAACQ DATA SEQUENCE RLARAGVVLV TAAGNFRDDA cLYSPASAPE VITVGATNAQ DQPVTLGTLG DATA SEQUENCE TNFGRcVDLF APGEDIIGAS SDCSTCFVSQ SGTSQAAAHV AGIAAMMLSA DATA SEQUENCE EPELTLAELR QRLIHFSAKD VINEAWFPED QRVLTPNLVA ALPPSXXXXG DATA SEQUENCE WQLFcRTVWS AHSGPTRMAT AVARcAPDEE LLScSSFSRS GKRRGERMEA DATA SEQUENCE QGGKLVcRAH NAFGGEGVYA IARccLLPQA NcSVHTAPPA EASMGTRVHc DATA SEQUENCE HQQGHVLTGc SSHWEVEDLX XXXXXXXXXX XXPNQcVGHR EASIHASccH DATA SEQUENCE APGLEcKVKE HGIPAPQEQV TVAcEEGWTL TGcSALPGTS HVLGAYAVDN DATA SEQUENCE TcVVRSRXXX XXXXXXXGAV TAVAIccRSR H 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 153 S HA 0.000 nan 4.470 nan 0.000 0.327 153 S C 0.000 174.590 174.600 -0.017 0.000 1.055 153 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 153 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 154 I N 4.669 125.236 120.570 -0.005 0.000 2.587 154 I HA 0.317 4.487 4.170 0.001 0.000 0.284 154 I C -2.299 173.822 176.117 0.008 0.000 1.134 154 I CA -1.256 60.039 61.300 -0.008 0.000 1.410 154 I CB -0.330 37.668 38.000 -0.003 0.000 1.392 154 I HN 0.176 nan 8.210 nan 0.000 0.545 155 P HA -0.061 nan 4.420 nan 0.000 0.265 155 P C 1.127 178.423 177.300 -0.007 0.000 1.193 155 P CA -0.210 62.891 63.100 0.002 0.000 0.765 155 P CB 0.293 31.962 31.700 -0.052 0.000 0.823 156 W N 5.696 126.994 121.300 -0.002 0.000 2.325 156 W HA -0.262 4.398 4.660 0.000 0.000 0.299 156 W C 0.975 177.486 176.519 -0.013 0.000 1.215 156 W CA 1.753 59.090 57.345 -0.012 0.000 1.244 156 W CB -1.402 28.048 29.460 -0.018 0.000 1.140 156 W HN 0.353 nan 8.180 nan 0.000 0.523 157 N N 1.721 119.701 118.700 -1.201 0.000 2.331 157 N HA -0.165 4.576 4.740 0.001 0.000 0.180 157 N C 1.915 177.137 175.510 -0.481 0.000 1.019 157 N CA 1.543 53.810 53.050 -1.305 0.000 0.881 157 N CB -1.174 36.570 38.487 -1.239 0.000 0.972 157 N HN 0.336 nan 8.380 nan 0.000 0.435 158 L N 0.144 121.200 121.223 -0.278 0.000 2.179 158 L HA 0.030 4.371 4.340 0.001 0.000 0.208 158 L C 2.530 179.318 176.870 -0.136 0.000 1.096 158 L CA 0.900 55.647 54.840 -0.155 0.000 0.779 158 L CB -0.294 41.697 42.059 -0.114 0.000 0.922 158 L HN 0.130 nan 8.230 nan 0.000 0.443 159 E N 0.832 120.970 120.200 -0.103 0.000 2.107 159 E HA -0.223 4.127 4.350 0.001 0.000 0.191 159 E C 2.172 178.737 176.600 -0.057 0.000 0.982 159 E CA 0.969 57.336 56.400 -0.056 0.000 0.809 159 E CB 0.045 29.752 29.700 0.011 0.000 0.756 159 E HN 0.054 nan 8.360 nan 0.000 0.459 160 R N 0.675 121.140 120.500 -0.059 0.000 2.115 160 R HA -0.010 4.331 4.340 0.001 0.000 0.230 160 R C 2.055 178.309 176.300 -0.075 0.000 1.111 160 R CA 1.542 57.631 56.100 -0.020 0.000 0.976 160 R CB -0.611 29.702 30.300 0.021 0.000 0.870 160 R HN 0.510 nan 8.270 nan 0.000 0.445 161 I N -2.285 118.206 120.570 -0.132 0.000 3.812 161 I HA 0.257 4.428 4.170 0.001 0.000 0.320 161 I C -0.467 175.531 176.117 -0.199 0.000 1.276 161 I CA -0.118 61.104 61.300 -0.130 0.000 1.164 161 I CB 0.218 38.154 38.000 -0.107 0.000 1.009 161 I HN -0.220 nan 8.210 nan 0.000 0.431 162 T N 5.660 120.082 114.554 -0.221 0.000 2.749 162 T HA 0.335 4.686 4.350 0.001 0.000 0.295 162 T C -2.130 172.435 174.700 -0.225 0.000 0.936 162 T CA -0.851 61.038 62.100 -0.351 0.000 1.060 162 T CB 0.850 69.548 68.868 -0.282 0.000 0.904 162 T HN 0.225 nan 8.240 nan 0.000 0.500 163 P HA 0.222 nan 4.420 nan 0.000 0.273 163 P C -2.116 175.179 177.300 -0.009 0.000 1.250 163 P CA -1.496 61.561 63.100 -0.073 0.000 0.793 163 P CB 0.184 31.865 31.700 -0.031 0.000 1.011 164 P HA -0.038 nan 4.420 nan 0.000 0.221 164 P C 0.480 177.813 177.300 0.054 0.000 1.145 164 P CA 1.472 64.592 63.100 0.033 0.000 0.795 164 P CB 0.273 31.994 31.700 0.035 0.000 0.775 165 R N -1.102 119.445 120.500 0.079 0.000 2.538 165 R HA 0.491 4.831 4.340 0.001 0.000 0.292 165 R C -1.896 174.513 176.300 0.182 0.000 1.008 165 R CA -0.672 55.484 56.100 0.095 0.000 0.896 165 R CB 1.025 31.362 30.300 0.061 0.000 1.187 165 R HN -0.071 nan 8.270 nan 0.000 0.440 166 Y N 2.407 122.692 120.300 -0.025 0.000 2.519 166 Y HA 0.404 4.955 4.550 0.002 0.000 0.336 166 Y C -0.830 175.053 175.900 -0.029 0.000 1.089 166 Y CA -1.047 57.032 58.100 -0.035 0.000 1.025 166 Y CB 1.554 39.992 38.460 -0.037 0.000 1.318 166 Y HN 0.564 nan 8.280 nan 0.000 0.452 177 G N 0.471 109.262 108.800 -0.015 0.000 4.232 177 G HA2 0.475 4.435 3.960 0.001 0.000 0.304 177 G HA3 0.475 4.435 3.960 0.001 0.000 0.304 177 G C 1.104 175.996 174.900 -0.014 0.000 1.295 177 G CA 1.117 46.210 45.100 -0.012 0.000 1.398 177 G HN 1.321 nan 8.290 nan 0.000 0.571 178 S N 1.045 116.737 115.700 -0.014 0.000 2.428 178 S HA -0.127 4.343 4.470 0.001 0.000 0.230 178 S C 1.950 176.542 174.600 -0.014 0.000 1.014 178 S CA 1.064 59.255 58.200 -0.016 0.000 0.957 178 S CB -0.238 62.953 63.200 -0.015 0.000 0.784 178 S HN 0.576 nan 8.310 nan 0.000 0.499 179 L N -0.104 121.114 121.223 -0.009 0.000 2.592 179 L HA 0.527 4.868 4.340 0.001 0.000 0.227 179 L C -0.057 176.812 176.870 -0.001 0.000 1.127 179 L CA -0.328 54.510 54.840 -0.005 0.000 0.884 179 L CB -0.548 41.510 42.059 -0.001 0.000 1.065 179 L HN 0.033 nan 8.230 nan 0.000 0.457 180 V N 0.380 120.292 119.914 -0.004 0.000 2.532 180 V HA 0.408 4.529 4.120 0.001 0.000 0.295 180 V C 0.096 176.183 176.094 -0.011 0.000 1.041 180 V CA -0.537 61.764 62.300 0.001 0.000 0.926 180 V CB 1.742 33.567 31.823 0.003 0.000 0.992 180 V HN 0.250 nan 8.190 nan 0.000 0.457 181 E N 2.164 122.363 120.200 -0.002 0.000 2.179 181 E HA 0.579 4.930 4.350 0.001 0.000 0.275 181 E C -1.417 175.173 176.600 -0.017 0.000 0.945 181 E CA -0.595 55.781 56.400 -0.041 0.000 0.792 181 E CB 2.386 32.048 29.700 -0.064 0.000 1.125 181 E HN 0.449 nan 8.360 nan 0.000 0.397 182 V N 3.733 123.605 119.914 -0.069 0.000 2.398 182 V HA 0.252 4.372 4.120 0.001 0.000 0.286 182 V C -0.881 175.169 176.094 -0.073 0.000 1.026 182 V CA -0.718 61.569 62.300 -0.020 0.000 0.868 182 V CB 0.383 32.188 31.823 -0.031 0.000 0.982 182 V HN 0.591 nan 8.190 nan 0.000 0.443 183 Y N 4.328 124.622 120.300 -0.011 0.000 2.334 183 Y HA 0.639 5.189 4.550 0.001 0.000 0.328 183 Y C -0.085 175.806 175.900 -0.014 0.000 1.130 183 Y CA -0.493 57.603 58.100 -0.007 0.000 1.163 183 Y CB 1.766 40.225 38.460 -0.003 0.000 1.207 183 Y HN 0.523 nan 8.280 nan 0.000 0.471 184 L N 4.475 125.780 121.223 0.136 0.000 2.349 184 L HA 0.548 4.889 4.340 0.001 0.000 0.278 184 L C -1.856 175.064 176.870 0.084 0.000 0.996 184 L CA -0.662 54.223 54.840 0.075 0.000 0.825 184 L CB 1.040 43.112 42.059 0.021 0.000 1.243 184 L HN 0.467 nan 8.230 nan 0.000 0.412 185 L N 5.845 127.108 121.223 0.067 0.000 2.272 185 L HA 0.613 4.953 4.340 0.001 0.000 0.284 185 L C -0.266 176.646 176.870 0.071 0.000 1.045 185 L CA 0.240 55.113 54.840 0.054 0.000 0.842 185 L CB 0.923 42.996 42.059 0.024 0.000 1.224 185 L HN 0.726 nan 8.230 nan 0.000 0.430 186 D N -0.430 120.020 120.400 0.083 0.000 3.703 186 D HA 0.414 5.055 4.640 0.001 0.000 0.315 186 D C -0.224 176.134 176.300 0.097 0.000 1.464 186 D CA 0.018 54.087 54.000 0.114 0.000 0.982 186 D CB 0.970 41.861 40.800 0.151 0.000 1.391 186 D HN 0.394 nan 8.370 nan 0.000 0.625 187 T N -1.010 113.615 114.554 0.117 0.000 2.726 187 T HA 0.472 4.823 4.350 0.001 0.000 0.294 187 T C 0.611 175.347 174.700 0.059 0.000 1.013 187 T CA -0.308 61.838 62.100 0.077 0.000 0.996 187 T CB 0.515 69.435 68.868 0.087 0.000 1.016 187 T HN 0.423 nan 8.240 nan 0.000 0.529 188 S N 0.367 116.090 115.700 0.039 0.000 2.580 188 S HA 0.418 4.889 4.470 0.001 0.000 0.266 188 S C 0.311 174.926 174.600 0.025 0.000 1.354 188 S CA -0.774 57.443 58.200 0.027 0.000 1.008 188 S CB -0.500 62.710 63.200 0.016 0.000 0.898 188 S HN 1.059 nan 8.310 nan 0.000 0.555 189 I N -2.319 118.259 120.570 0.014 0.000 2.934 189 I HA 0.464 4.634 4.170 0.001 0.000 0.306 189 I C -0.549 175.571 176.117 0.004 0.000 1.110 189 I CA -1.133 60.169 61.300 0.003 0.000 1.019 189 I CB 2.107 40.100 38.000 -0.012 0.000 1.227 189 I HN 0.658 nan 8.210 nan 0.000 0.434 190 Q N 2.565 122.368 119.800 0.005 0.000 2.452 190 Q HA 0.181 4.522 4.340 0.001 0.000 0.230 190 Q C 0.760 176.775 176.000 0.026 0.000 1.180 190 Q CA -0.107 55.709 55.803 0.022 0.000 0.914 190 Q CB 0.841 29.607 28.738 0.046 0.000 1.408 190 Q HN 0.929 nan 8.270 nan 0.000 0.520 191 S N 1.966 117.674 115.700 0.014 0.000 2.447 191 S HA -0.126 4.345 4.470 0.001 0.000 0.233 191 S C 0.834 175.444 174.600 0.016 0.000 1.006 191 S CA 1.055 59.259 58.200 0.007 0.000 0.957 191 S CB 0.034 63.235 63.200 0.000 0.000 0.773 191 S HN 0.771 nan 8.310 nan 0.000 0.507 192 D N 0.045 120.457 120.400 0.020 0.000 2.328 192 D HA -0.014 4.626 4.640 0.001 0.000 0.221 192 D C 0.438 176.743 176.300 0.009 0.000 1.072 192 D CA -0.293 53.712 54.000 0.008 0.000 0.850 192 D CB -0.934 39.862 40.800 -0.007 0.000 0.922 192 D HN 0.477 nan 8.370 nan 0.000 0.516 193 H N 1.426 120.461 119.070 -0.058 0.000 2.897 193 H HA 0.126 4.683 4.556 0.001 0.000 0.347 193 H C 0.760 176.042 175.328 -0.078 0.000 1.068 193 H CA 0.107 56.106 56.048 -0.082 0.000 1.426 193 H CB 1.136 30.826 29.762 -0.119 0.000 1.410 193 H HN -0.213 nan 8.280 nan 0.000 0.597 194 R N 2.352 122.730 120.500 -0.203 0.000 2.152 194 R HA -0.092 4.248 4.340 0.001 0.000 0.232 194 R C 2.000 178.362 176.300 0.102 0.000 1.117 194 R CA 0.744 56.819 56.100 -0.041 0.000 0.981 194 R CB -0.038 30.201 30.300 -0.102 0.000 0.870 194 R HN 0.672 nan 8.270 nan 0.000 0.451 195 E N -0.009 120.362 120.200 0.286 0.000 2.150 195 E HA -0.107 4.244 4.350 0.001 0.000 0.193 195 E C 1.604 178.225 176.600 0.035 0.000 0.985 195 E CA 1.408 57.880 56.400 0.120 0.000 0.814 195 E CB 0.158 29.827 29.700 -0.050 0.000 0.752 195 E HN 0.536 nan 8.360 nan 0.000 0.466 196 I N -2.631 117.961 120.570 0.037 0.000 4.526 196 I HA 0.250 4.421 4.170 0.001 0.000 0.330 196 I C 0.735 176.850 176.117 -0.003 0.000 1.323 196 I CA -0.393 60.899 61.300 -0.014 0.000 1.218 196 I CB 0.131 38.098 38.000 -0.056 0.000 1.233 196 I HN -0.240 nan 8.210 nan 0.000 0.430 197 E N 2.898 123.109 120.200 0.018 0.000 2.652 197 E HA 0.128 4.479 4.350 0.001 0.000 0.255 197 E C 1.337 177.933 176.600 -0.005 0.000 0.952 197 E CA 1.465 57.867 56.400 0.004 0.000 0.947 197 E CB 0.141 29.841 29.700 0.000 0.000 0.912 197 E HN 0.601 nan 8.360 nan 0.000 0.489 198 G N 4.575 113.368 108.800 -0.010 0.000 2.225 198 G HA2 -0.329 3.632 3.960 0.001 0.000 0.254 198 G HA3 -0.329 3.632 3.960 0.001 0.000 0.254 198 G C 0.973 175.861 174.900 -0.020 0.000 0.988 198 G CA 0.502 45.594 45.100 -0.013 0.000 0.625 198 G HN 0.638 nan 8.290 nan 0.000 0.527 199 R N -0.915 119.569 120.500 -0.025 0.000 2.394 199 R HA 0.435 4.775 4.340 0.001 0.000 0.220 199 R C 0.212 176.482 176.300 -0.050 0.000 0.887 199 R CA 0.484 56.562 56.100 -0.036 0.000 1.034 199 R CB 1.296 31.575 30.300 -0.035 0.000 1.179 199 R HN 0.283 nan 8.270 nan 0.000 0.561 200 V N 2.217 122.103 119.914 -0.046 0.000 2.417 200 V HA 0.341 4.462 4.120 0.001 0.000 0.291 200 V C -0.241 175.827 176.094 -0.044 0.000 1.024 200 V CA -0.604 61.662 62.300 -0.056 0.000 0.861 200 V CB 1.748 33.539 31.823 -0.054 0.000 0.985 200 V HN 0.156 nan 8.190 nan 0.000 0.436 201 M N 5.666 125.233 119.600 -0.055 0.000 2.205 201 M HA 0.501 4.981 4.480 0.001 0.000 0.344 201 M C -1.146 175.145 176.300 -0.015 0.000 1.085 201 M CA -0.412 54.870 55.300 -0.031 0.000 1.001 201 M CB 1.621 34.200 32.600 -0.033 0.000 1.626 201 M HN 0.425 nan 8.290 nan 0.000 0.442 202 V N 5.735 125.653 119.914 0.006 0.000 2.408 202 V HA 0.122 4.243 4.120 0.001 0.000 0.267 202 V C 1.558 177.683 176.094 0.052 0.000 1.047 202 V CA 0.148 62.462 62.300 0.023 0.000 0.937 202 V CB 0.714 32.548 31.823 0.018 0.000 0.999 202 V HN 1.010 nan 8.190 nan 0.000 0.472 203 T N -0.337 114.265 114.554 0.081 0.000 2.951 203 T HA -0.092 4.258 4.350 0.001 0.000 0.268 203 T C 0.865 175.627 174.700 0.103 0.000 1.073 203 T CA 0.828 63.015 62.100 0.144 0.000 1.134 203 T CB -0.183 68.819 68.868 0.222 0.000 0.884 203 T HN 0.709 nan 8.240 nan 0.000 0.479 204 D N -0.124 120.306 120.400 0.051 0.000 3.077 204 D HA -0.158 4.482 4.640 0.001 0.000 0.212 204 D C -0.317 175.961 176.300 -0.037 0.000 1.125 204 D CA 0.501 54.508 54.000 0.013 0.000 0.970 204 D CB -1.944 38.869 40.800 0.022 0.000 1.110 204 D HN 0.584 nan 8.370 nan 0.000 0.419 205 F N 1.910 121.703 119.950 -0.261 0.000 2.578 205 F HA 0.223 4.751 4.527 0.001 0.000 0.376 205 F C 0.570 176.233 175.800 -0.228 0.000 1.085 205 F CA 0.438 58.193 58.000 -0.409 0.000 1.260 205 F CB 0.488 38.940 39.000 -0.912 0.000 1.095 205 F HN -0.170 nan 8.300 nan 0.000 0.573 206 E N 4.739 124.472 120.200 -0.778 0.000 2.275 206 E HA 0.213 4.564 4.350 0.001 0.000 0.270 206 E C -1.507 174.697 176.600 -0.660 0.000 0.882 206 E CA -1.023 55.093 56.400 -0.474 0.000 0.758 206 E CB 1.958 31.511 29.700 -0.245 0.000 1.195 206 E HN 0.646 nan 8.360 nan 0.000 0.419 207 N N 2.176 120.682 118.700 -0.323 0.000 2.629 207 N HA 0.302 5.043 4.740 0.001 0.000 0.277 207 N C -1.831 173.657 175.510 -0.036 0.000 1.188 207 N CA -0.405 52.537 53.050 -0.180 0.000 0.835 207 N CB 1.368 39.795 38.487 -0.100 0.000 1.420 207 N HN 0.262 nan 8.380 nan 0.000 0.542 208 V N 1.186 121.072 119.914 -0.047 0.000 2.971 208 V HA 0.775 4.896 4.120 0.001 0.000 0.309 208 V C -2.424 173.659 176.094 -0.019 0.000 1.130 208 V CA -1.606 60.684 62.300 -0.017 0.000 0.964 208 V CB 1.526 33.339 31.823 -0.016 0.000 1.029 208 V HN 0.389 nan 8.190 nan 0.000 0.427 209 P HA 0.281 nan 4.420 nan 0.000 0.274 209 P C -0.327 176.966 177.300 -0.011 0.000 1.246 209 P CA -0.199 62.896 63.100 -0.008 0.000 0.795 209 P CB 0.635 32.334 31.700 -0.002 0.000 1.006 210 E N 0.802 120.995 120.200 -0.011 0.000 2.398 210 E HA 0.053 4.403 4.350 0.001 0.000 0.263 210 E C -0.089 176.507 176.600 -0.007 0.000 1.046 210 E CA -0.603 55.791 56.400 -0.010 0.000 0.908 210 E CB 0.408 30.102 29.700 -0.010 0.000 0.963 210 E HN 0.292 nan 8.360 nan 0.000 0.431 220 A N 2.154 124.979 122.820 0.007 0.000 1.908 220 A HA -0.208 4.113 4.320 0.001 0.000 0.218 220 A C 1.881 179.473 177.584 0.014 0.000 1.181 220 A CA 2.575 54.618 52.037 0.009 0.000 0.627 220 A CB -0.712 18.292 19.000 0.008 0.000 0.818 220 A HN 0.966 nan 8.150 nan 0.000 0.445 221 S N -0.052 115.657 115.700 0.015 0.000 2.356 221 S HA -0.238 4.233 4.470 0.001 0.000 0.223 221 S C 2.010 176.622 174.600 0.020 0.000 1.032 221 S CA 1.667 59.878 58.200 0.019 0.000 1.005 221 S CB -0.432 62.779 63.200 0.020 0.000 0.867 221 S HN 0.641 nan 8.310 nan 0.000 0.449 222 K N 0.537 120.947 120.400 0.017 0.000 2.026 222 K HA -0.089 4.231 4.320 0.001 0.000 0.208 222 K C 2.185 178.797 176.600 0.020 0.000 1.048 222 K CA 1.670 57.967 56.287 0.017 0.000 0.929 222 K CB -0.632 31.875 32.500 0.012 0.000 0.713 222 K HN 0.542 nan 8.250 nan 0.000 0.439 223 c N 1.629 120.240 118.600 0.017 0.000 2.425 223 c HA -0.066 4.504 4.570 0.001 0.000 0.277 223 c C 1.823 175.931 174.090 0.030 0.000 1.280 223 c CA 0.702 57.042 56.329 0.019 0.000 1.744 223 c CB -0.708 41.809 42.510 0.012 0.000 1.989 223 c HN 0.535 nan 8.230 nan 0.000 0.491 224 D N 0.100 120.517 120.400 0.028 0.000 2.340 224 D HA -0.004 4.637 4.640 0.001 0.000 0.220 224 D C 2.098 178.420 176.300 0.037 0.000 1.039 224 D CA 0.539 54.557 54.000 0.030 0.000 0.866 224 D CB -0.268 40.543 40.800 0.019 0.000 0.913 224 D HN 0.415 nan 8.370 nan 0.000 0.523 225 S N -0.274 115.453 115.700 0.046 0.000 2.353 225 S HA -0.242 4.228 4.470 0.001 0.000 0.222 225 S C 1.883 176.526 174.600 0.072 0.000 1.035 225 S CA 1.223 59.451 58.200 0.046 0.000 1.025 225 S CB -0.206 63.019 63.200 0.042 0.000 0.902 225 S HN 0.410 nan 8.310 nan 0.000 0.440 226 H N -0.155 118.915 119.070 -0.001 0.000 2.307 226 H HA 0.001 4.557 4.556 0.001 0.000 0.303 226 H C 2.265 177.610 175.328 0.029 0.000 1.073 226 H CA 1.597 57.649 56.048 0.006 0.000 1.338 226 H CB -0.791 28.970 29.762 -0.002 0.000 1.389 226 H HN 0.534 nan 8.280 nan 0.000 0.503 227 G N -0.559 108.285 108.800 0.073 0.000 2.408 227 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 227 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 227 G C 1.738 176.605 174.900 -0.055 0.000 1.150 227 G CA 1.076 46.177 45.100 0.001 0.000 0.776 227 G HN 0.393 nan 8.290 nan 0.000 0.542 228 T N -0.217 114.311 114.554 -0.043 0.000 2.746 228 T HA -0.128 4.223 4.350 0.001 0.000 0.267 228 T C 2.015 176.622 174.700 -0.156 0.000 1.039 228 T CA 1.228 63.267 62.100 -0.101 0.000 1.142 228 T CB -0.396 68.415 68.868 -0.096 0.000 0.866 228 T HN 0.422 nan 8.240 nan 0.000 0.444 229 H N 0.948 119.897 119.070 -0.203 0.000 2.353 229 H HA 0.039 4.595 4.556 0.000 0.000 0.300 229 H C 2.201 177.401 175.328 -0.213 0.000 1.090 229 H CA 1.168 57.089 56.048 -0.212 0.000 1.327 229 H CB -0.258 29.404 29.762 -0.168 0.000 1.383 229 H HN 0.303 nan 8.280 nan 0.000 0.508 230 L N 0.142 121.273 121.223 -0.153 0.000 2.093 230 L HA -0.106 4.235 4.340 0.001 0.000 0.208 230 L C 3.117 179.869 176.870 -0.196 0.000 1.085 230 L CA 0.873 55.602 54.840 -0.185 0.000 0.755 230 L CB -0.528 41.417 42.059 -0.190 0.000 0.904 230 L HN 0.251 nan 8.230 nan 0.000 0.435 231 A N 0.419 123.136 122.820 -0.172 0.000 1.933 231 A HA -0.140 4.180 4.320 0.001 0.000 0.218 231 A C 2.394 179.861 177.584 -0.196 0.000 1.175 231 A CA 1.781 53.725 52.037 -0.155 0.000 0.628 231 A CB -1.195 17.729 19.000 -0.127 0.000 0.814 231 A HN 0.446 nan 8.150 nan 0.000 0.444 232 G N -0.608 108.031 108.800 -0.268 0.000 2.402 232 G HA2 -0.086 3.875 3.960 0.001 0.000 0.216 232 G HA3 -0.086 3.875 3.960 0.001 0.000 0.216 232 G C 1.491 176.219 174.900 -0.287 0.000 1.162 232 G CA 1.180 46.104 45.100 -0.294 0.000 0.777 232 G HN 0.321 nan 8.290 nan 0.000 0.539 233 V N 0.605 120.302 119.914 -0.361 0.000 2.343 233 V HA -0.176 3.945 4.120 0.001 0.000 0.247 233 V C 3.010 178.912 176.094 -0.320 0.000 1.051 233 V CA 1.557 63.630 62.300 -0.378 0.000 1.036 233 V CB -0.400 31.180 31.823 -0.405 0.000 0.654 233 V HN 0.254 nan 8.190 nan 0.000 0.451 234 V N 0.705 120.475 119.914 -0.240 0.000 2.307 234 V HA -0.120 4.000 4.120 0.001 0.000 0.245 234 V C 1.970 177.976 176.094 -0.147 0.000 1.045 234 V CA 2.208 64.399 62.300 -0.181 0.000 1.024 234 V CB -0.295 31.451 31.823 -0.129 0.000 0.651 234 V HN 0.744 nan 8.190 nan 0.000 0.449 235 S N -1.107 114.512 115.700 -0.134 0.000 2.847 235 S HA 0.332 4.802 4.470 0.001 0.000 0.254 235 S C 0.914 175.463 174.600 -0.085 0.000 1.039 235 S CA 0.184 58.325 58.200 -0.098 0.000 1.113 235 S CB 0.181 63.331 63.200 -0.084 0.000 1.092 235 S HN 0.531 nan 8.310 nan 0.000 0.620 236 G N 1.656 110.392 108.800 -0.105 0.000 2.414 236 G HA2 0.230 4.190 3.960 0.001 0.000 0.236 236 G HA3 0.230 4.190 3.960 0.001 0.000 0.236 236 G C 0.575 175.462 174.900 -0.022 0.000 1.293 236 G CA -0.447 44.609 45.100 -0.073 0.000 0.869 236 G HN 0.421 nan 8.290 nan 0.000 0.556 237 R N 0.750 121.258 120.500 0.013 0.000 2.091 237 R HA -0.105 4.235 4.340 0.001 0.000 0.238 237 R C 1.179 177.503 176.300 0.041 0.000 1.136 237 R CA 2.049 58.167 56.100 0.029 0.000 0.959 237 R CB 0.077 30.406 30.300 0.048 0.000 0.856 237 R HN 0.607 nan 8.270 nan 0.000 0.437 238 D N -1.686 118.765 120.400 0.086 0.000 2.379 238 D HA 0.106 4.746 4.640 0.001 0.000 0.218 238 D C 0.540 176.860 176.300 0.033 0.000 1.006 238 D CA 1.016 55.055 54.000 0.065 0.000 0.893 238 D CB 0.723 41.578 40.800 0.091 0.000 1.019 238 D HN 0.297 nan 8.370 nan 0.000 0.503 239 A N 0.441 123.300 122.820 0.064 0.000 2.538 239 A HA 0.536 4.857 4.320 0.001 0.000 0.269 239 A C 1.032 178.574 177.584 -0.069 0.000 1.231 239 A CA -0.034 52.010 52.037 0.012 0.000 0.948 239 A CB 0.269 19.330 19.000 0.101 0.000 1.110 239 A HN 0.108 nan 8.150 nan 0.000 0.529 240 G N -1.210 107.545 108.800 -0.074 0.000 2.504 240 G HA2 0.422 4.383 3.960 0.001 0.000 0.288 240 G HA3 0.422 4.383 3.960 0.001 0.000 0.288 240 G C 0.775 175.596 174.900 -0.131 0.000 1.182 240 G CA 0.033 45.055 45.100 -0.129 0.000 0.894 240 G HN 0.045 nan 8.290 nan 0.000 0.521 241 V N 1.084 120.897 119.914 -0.169 0.000 2.331 241 V HA 0.128 4.249 4.120 0.001 0.000 0.242 241 V C 2.092 178.139 176.094 -0.079 0.000 1.034 241 V CA 1.897 64.116 62.300 -0.135 0.000 1.027 241 V CB -0.190 31.532 31.823 -0.168 0.000 0.667 241 V HN 0.800 nan 8.190 nan 0.000 0.457 242 A N 0.584 123.357 122.820 -0.078 0.000 3.173 242 A HA 0.335 4.656 4.320 0.001 0.000 0.304 242 A C 0.246 177.802 177.584 -0.047 0.000 1.318 242 A CA -0.430 51.579 52.037 -0.048 0.000 1.069 242 A CB -0.544 18.429 19.000 -0.045 0.000 1.147 242 A HN 0.418 nan 8.150 nan 0.000 0.547 243 K N 0.652 121.029 120.400 -0.038 0.000 2.530 243 K HA 0.192 4.513 4.320 0.001 0.000 0.280 243 K C 1.098 177.681 176.600 -0.027 0.000 1.004 243 K CA 1.033 57.300 56.287 -0.032 0.000 1.071 243 K CB 0.208 32.697 32.500 -0.019 0.000 0.876 243 K HN 1.161 nan 8.250 nan 0.000 0.487 244 G N 1.591 110.373 108.800 -0.030 0.000 2.371 244 G HA2 -0.220 3.741 3.960 0.001 0.000 0.299 244 G HA3 -0.220 3.741 3.960 0.001 0.000 0.299 244 G C -0.061 174.820 174.900 -0.032 0.000 1.014 244 G CA 0.265 45.349 45.100 -0.028 0.000 1.097 244 G HN 0.783 nan 8.290 nan 0.000 0.512 245 A N -0.106 122.690 122.820 -0.040 0.000 2.306 245 A HA 0.888 5.209 4.320 0.001 0.000 0.330 245 A C 0.666 178.218 177.584 -0.053 0.000 1.146 245 A CA 0.171 52.183 52.037 -0.042 0.000 0.827 245 A CB 1.285 20.259 19.000 -0.043 0.000 1.178 245 A HN 0.974 nan 8.150 nan 0.000 0.490 246 S N 0.846 116.512 115.700 -0.057 0.000 2.545 246 S HA 0.560 5.031 4.470 0.001 0.000 0.275 246 S C -0.165 174.372 174.600 -0.105 0.000 1.299 246 S CA 0.037 58.192 58.200 -0.075 0.000 1.048 246 S CB 0.097 63.253 63.200 -0.073 0.000 0.938 246 S HN 0.575 nan 8.310 nan 0.000 0.496 247 M N 3.172 122.698 119.600 -0.122 0.000 2.530 247 M HA 0.504 4.984 4.480 0.001 0.000 0.307 247 M C -0.657 175.517 176.300 -0.211 0.000 1.161 247 M CA -0.560 54.645 55.300 -0.160 0.000 0.903 247 M CB 2.343 34.876 32.600 -0.112 0.000 1.711 247 M HN 0.438 nan 8.290 nan 0.000 0.451 248 R N 0.902 121.198 120.500 -0.340 0.000 2.599 248 R HA 0.635 4.975 4.340 0.001 0.000 0.295 248 R C -0.886 175.334 176.300 -0.133 0.000 0.963 248 R CA -0.754 55.163 56.100 -0.305 0.000 0.883 248 R CB 2.173 32.110 30.300 -0.605 0.000 1.171 248 R HN 0.805 nan 8.270 nan 0.000 0.450 249 S N 2.666 118.354 115.700 -0.020 0.000 2.482 249 S HA 0.626 5.096 4.470 0.001 0.000 0.303 249 S C -0.634 174.011 174.600 0.076 0.000 1.091 249 S CA -0.868 57.353 58.200 0.036 0.000 1.057 249 S CB 1.170 64.377 63.200 0.013 0.000 1.031 249 S HN 0.272 nan 8.310 nan 0.000 0.485 250 L N 2.276 123.550 121.223 0.085 0.000 2.334 250 L HA 0.597 4.937 4.340 0.001 0.000 0.273 250 L C 0.360 177.295 176.870 0.109 0.000 1.013 250 L CA -0.556 54.330 54.840 0.077 0.000 0.816 250 L CB 1.606 43.631 42.059 -0.056 0.000 1.278 250 L HN 0.816 nan 8.230 nan 0.000 0.431 251 R N 1.598 122.193 120.500 0.159 0.000 2.198 251 R HA 0.469 4.810 4.340 0.001 0.000 0.339 251 R C 0.063 176.452 176.300 0.148 0.000 1.020 251 R CA -0.119 56.048 56.100 0.111 0.000 0.864 251 R CB 0.710 31.039 30.300 0.049 0.000 1.105 251 R HN 0.632 nan 8.270 nan 0.000 0.463 252 V N 2.323 122.308 119.914 0.118 0.000 3.432 252 V HA 0.340 4.461 4.120 0.001 0.000 0.298 252 V C -0.132 175.997 176.094 0.060 0.000 1.464 252 V CA -0.237 62.131 62.300 0.112 0.000 1.046 252 V CB 0.123 32.016 31.823 0.116 0.000 0.887 252 V HN 0.433 nan 8.190 nan 0.000 0.441 253 L N 3.001 124.251 121.223 0.046 0.000 2.346 253 L HA 0.600 4.941 4.340 0.001 0.000 0.276 253 L C 0.169 177.047 176.870 0.013 0.000 1.006 253 L CA -0.638 54.214 54.840 0.021 0.000 0.817 253 L CB 1.805 43.868 42.059 0.007 0.000 1.272 253 L HN 0.381 nan 8.230 nan 0.000 0.421 254 N N 0.306 119.007 118.700 0.001 0.000 2.381 254 N HA 0.084 4.825 4.740 0.001 0.000 0.289 254 N C 0.725 176.233 175.510 -0.003 0.000 1.288 254 N CA -0.550 52.499 53.050 -0.002 0.000 0.960 254 N CB -0.036 38.447 38.487 -0.006 0.000 1.116 254 N HN 0.555 nan 8.380 nan 0.000 0.557 255 c N -1.463 117.136 118.600 -0.003 0.000 2.432 255 c HA 0.024 4.594 4.570 0.001 0.000 0.282 255 c C 1.939 176.026 174.090 -0.005 0.000 1.388 255 c CA 0.481 56.810 56.329 -0.000 0.000 1.777 255 c CB -1.375 41.135 42.510 0.000 0.000 1.882 255 c HN 0.647 nan 8.230 nan 0.000 0.520 256 Q N -0.197 119.598 119.800 -0.009 0.000 2.320 256 Q HA 0.240 4.581 4.340 0.001 0.000 0.201 256 Q C 1.458 177.439 176.000 -0.031 0.000 0.910 256 Q CA 0.556 56.350 55.803 -0.014 0.000 0.946 256 Q CB 0.233 28.966 28.738 -0.008 0.000 1.062 256 Q HN 0.672 nan 8.270 nan 0.000 0.503 257 G N 1.886 110.662 108.800 -0.040 0.000 2.143 257 G HA2 -0.322 3.638 3.960 0.001 0.000 0.248 257 G HA3 -0.322 3.638 3.960 0.001 0.000 0.248 257 G C -0.069 174.794 174.900 -0.061 0.000 0.991 257 G CA 0.412 45.463 45.100 -0.082 0.000 0.689 257 G HN 0.258 nan 8.290 nan 0.000 0.522 258 K N 0.030 120.414 120.400 -0.026 0.000 2.164 258 K HA 0.692 5.013 4.320 0.001 0.000 0.258 258 K C 0.709 177.310 176.600 0.001 0.000 0.951 258 K CA 0.046 56.328 56.287 -0.009 0.000 0.844 258 K CB 1.193 33.692 32.500 -0.001 0.000 1.099 258 K HN 0.452 nan 8.250 nan 0.000 0.435 259 G N 0.426 109.233 108.800 0.011 0.000 3.022 259 G HA2 0.534 4.494 3.960 0.001 0.000 0.284 259 G HA3 0.534 4.494 3.960 0.001 0.000 0.284 259 G C -1.129 173.784 174.900 0.021 0.000 1.375 259 G CA -0.703 44.408 45.100 0.019 0.000 0.902 259 G HN 0.634 nan 8.290 nan 0.000 0.538 260 T N -2.928 111.641 114.554 0.026 0.000 2.916 260 T HA 0.494 4.845 4.350 0.001 0.000 0.292 260 T C 1.065 175.781 174.700 0.026 0.000 1.055 260 T CA -0.316 61.798 62.100 0.023 0.000 1.009 260 T CB 1.574 70.453 68.868 0.019 0.000 1.118 260 T HN 0.360 nan 8.240 nan 0.000 0.497 261 V N 1.732 121.656 119.914 0.018 0.000 2.287 261 V HA -0.197 3.924 4.120 0.001 0.000 0.248 261 V C 3.116 179.221 176.094 0.018 0.000 1.053 261 V CA 2.686 64.993 62.300 0.012 0.000 1.027 261 V CB -1.218 30.605 31.823 0.000 0.000 0.646 261 V HN 1.101 nan 8.190 nan 0.000 0.447 262 S N 0.922 116.635 115.700 0.022 0.000 2.368 262 S HA -0.130 4.340 4.470 0.001 0.000 0.225 262 S C 2.155 176.789 174.600 0.056 0.000 1.030 262 S CA 1.507 59.726 58.200 0.032 0.000 0.999 262 S CB -1.164 62.052 63.200 0.027 0.000 0.844 262 S HN 0.546 nan 8.310 nan 0.000 0.459 263 G N 1.490 110.327 108.800 0.061 0.000 2.476 263 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 263 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 263 G C 1.512 176.487 174.900 0.125 0.000 1.164 263 G CA 1.563 46.725 45.100 0.104 0.000 0.768 263 G HN 0.574 nan 8.290 nan 0.000 0.560 264 T N 1.266 115.860 114.554 0.067 0.000 2.821 264 T HA 0.025 4.375 4.350 0.001 0.000 0.267 264 T C 2.404 177.109 174.700 0.008 0.000 1.046 264 T CA 0.677 62.797 62.100 0.033 0.000 1.139 264 T CB -0.151 68.728 68.868 0.018 0.000 0.871 264 T HN 0.138 nan 8.240 nan 0.000 0.454 265 L N 0.354 121.589 121.223 0.019 0.000 2.012 265 L HA -0.075 4.265 4.340 0.001 0.000 0.210 265 L C 2.455 179.336 176.870 0.019 0.000 1.073 265 L CA 1.426 56.271 54.840 0.009 0.000 0.748 265 L CB -0.536 41.533 42.059 0.016 0.000 0.891 265 L HN 0.293 nan 8.230 nan 0.000 0.431 266 I N -0.519 120.097 120.570 0.078 0.000 2.315 266 I HA -0.184 3.987 4.170 0.001 0.000 0.248 266 I C 2.613 178.732 176.117 0.004 0.000 1.117 266 I CA 1.263 62.649 61.300 0.144 0.000 1.404 266 I CB -0.826 37.349 38.000 0.292 0.000 1.071 266 I HN 0.270 nan 8.210 nan 0.000 0.419 267 G N 1.255 109.956 108.800 -0.165 0.000 2.418 267 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 267 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 267 G C 1.718 176.415 174.900 -0.339 0.000 1.158 267 G CA 0.466 45.170 45.100 -0.659 0.000 0.771 267 G HN 0.254 nan 8.290 nan 0.000 0.545 268 L N 0.165 121.285 121.223 -0.173 0.000 2.046 268 L HA -0.063 4.277 4.340 0.001 0.000 0.208 268 L C 2.765 179.564 176.870 -0.119 0.000 1.077 268 L CA 1.531 56.288 54.840 -0.139 0.000 0.747 268 L CB -0.409 41.596 42.059 -0.090 0.000 0.896 268 L HN 0.373 nan 8.230 nan 0.000 0.432 269 E N 0.229 120.387 120.200 -0.070 0.000 2.110 269 E HA -0.284 4.066 4.350 0.001 0.000 0.193 269 E C 2.164 178.741 176.600 -0.038 0.000 0.988 269 E CA 1.272 57.650 56.400 -0.038 0.000 0.804 269 E CB -0.107 29.601 29.700 0.014 0.000 0.745 269 E HN 0.422 nan 8.360 nan 0.000 0.458 270 F N 1.107 120.924 119.950 -0.221 0.000 2.146 270 F HA -0.107 4.420 4.527 0.001 0.000 0.298 270 F C 1.955 177.614 175.800 -0.234 0.000 1.096 270 F CA 1.324 59.193 58.000 -0.217 0.000 1.275 270 F CB -0.032 38.711 39.000 -0.428 0.000 1.008 270 F HN -0.011 nan 8.300 nan 0.000 0.480 271 I N 0.025 120.499 120.570 -0.160 0.000 2.226 271 I HA -0.285 3.886 4.170 0.001 0.000 0.245 271 I C 2.492 178.411 176.117 -0.330 0.000 1.100 271 I CA 1.357 62.408 61.300 -0.415 0.000 1.374 271 I CB -0.465 37.170 38.000 -0.608 0.000 1.057 271 I HN 0.089 nan 8.210 nan 0.000 0.413 272 R N 1.754 122.118 120.500 -0.227 0.000 2.092 272 R HA -0.121 4.219 4.340 0.001 0.000 0.231 272 R C 2.047 178.254 176.300 -0.156 0.000 1.119 272 R CA 1.606 57.608 56.100 -0.163 0.000 0.970 272 R CB -0.286 29.945 30.300 -0.114 0.000 0.864 272 R HN 0.228 nan 8.270 nan 0.000 0.440 273 K N -0.384 119.904 120.400 -0.186 0.000 2.057 273 K HA -0.020 4.301 4.320 0.001 0.000 0.207 273 K C 2.112 178.583 176.600 -0.215 0.000 1.049 273 K CA 1.693 57.870 56.287 -0.184 0.000 0.931 273 K CB -0.067 32.313 32.500 -0.200 0.000 0.714 273 K HN 0.091 nan 8.250 nan 0.000 0.440 274 S N 1.296 116.808 115.700 -0.312 0.000 2.370 274 S HA -0.230 4.241 4.470 0.001 0.000 0.226 274 S C 2.025 176.557 174.600 -0.113 0.000 1.033 274 S CA 1.248 59.303 58.200 -0.242 0.000 1.011 274 S CB -0.197 62.856 63.200 -0.246 0.000 0.852 274 S HN 0.345 nan 8.310 nan 0.000 0.457 275 Q N 0.563 120.301 119.800 -0.104 0.000 2.124 275 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 275 Q C 2.078 178.048 176.000 -0.049 0.000 0.977 275 Q CA 1.084 56.856 55.803 -0.052 0.000 0.850 275 Q CB -0.183 28.519 28.738 -0.059 0.000 0.901 275 Q HN 0.496 nan 8.270 nan 0.000 0.429 276 L N -0.445 120.738 121.223 -0.067 0.000 2.056 276 L HA -0.163 4.178 4.340 0.001 0.000 0.207 276 L C 2.383 179.225 176.870 -0.046 0.000 1.078 276 L CA 0.660 55.469 54.840 -0.052 0.000 0.749 276 L CB -0.316 41.709 42.059 -0.057 0.000 0.901 276 L HN 0.112 nan 8.230 nan 0.000 0.433 277 V N -1.017 118.861 119.914 -0.059 0.000 2.358 277 V HA -0.226 3.895 4.120 0.001 0.000 0.246 277 V C 1.135 177.210 176.094 -0.033 0.000 1.047 277 V CA 1.378 63.649 62.300 -0.049 0.000 1.035 277 V CB -0.249 31.533 31.823 -0.067 0.000 0.658 277 V HN 0.478 nan 8.190 nan 0.000 0.452 278 Q N -0.000 119.782 119.800 -0.030 0.000 3.255 278 Q HA 0.303 4.644 4.340 0.001 0.000 0.231 278 Q C -2.828 173.169 176.000 -0.004 0.000 0.935 278 Q CA -1.611 54.184 55.803 -0.014 0.000 0.714 278 Q CB 1.814 30.547 28.738 -0.008 0.000 1.345 278 Q HN 0.260 nan 8.270 nan 0.000 0.463 279 P HA -0.010 nan 4.420 nan 0.000 0.268 279 P C -0.461 176.844 177.300 0.008 0.000 1.205 279 P CA -0.047 63.053 63.100 0.000 0.000 0.771 279 P CB 0.996 32.693 31.700 -0.004 0.000 0.858 280 V N 0.611 120.536 119.914 0.017 0.000 5.412 280 V HA 0.865 4.986 4.120 0.001 0.000 0.289 280 V C 0.595 176.699 176.094 0.017 0.000 1.523 280 V CA -0.016 62.295 62.300 0.018 0.000 0.771 280 V CB 0.272 32.111 31.823 0.026 0.000 1.379 280 V HN 0.558 nan 8.190 nan 0.000 0.431 281 G N -0.366 108.445 108.800 0.019 0.000 2.630 281 G HA2 0.598 4.559 3.960 0.001 0.000 0.223 281 G HA3 0.598 4.559 3.960 0.001 0.000 0.223 281 G C -2.689 172.226 174.900 0.025 0.000 1.434 281 G CA -1.194 43.916 45.100 0.018 0.000 1.057 281 G HN 0.687 nan 8.290 nan 0.000 0.570 282 P HA 0.226 nan 4.420 nan 0.000 0.265 282 P C -0.709 176.617 177.300 0.042 0.000 1.193 282 P CA 0.372 63.488 63.100 0.028 0.000 0.765 282 P CB 0.546 32.260 31.700 0.023 0.000 0.823 283 L N 2.950 124.205 121.223 0.053 0.000 2.333 283 L HA 0.437 4.777 4.340 0.001 0.000 0.280 283 L C -0.422 176.493 176.870 0.074 0.000 1.004 283 L CA -1.091 53.804 54.840 0.092 0.000 0.820 283 L CB 1.994 44.122 42.059 0.116 0.000 1.247 283 L HN 0.053 nan 8.230 nan 0.000 0.416 284 V N 4.264 124.229 119.914 0.084 0.000 2.398 284 V HA 0.341 4.462 4.120 0.001 0.000 0.286 284 V C 0.048 176.200 176.094 0.097 0.000 1.026 284 V CA -0.615 61.723 62.300 0.063 0.000 0.868 284 V CB 2.034 33.879 31.823 0.037 0.000 0.982 284 V HN 0.406 nan 8.190 nan 0.000 0.443 285 V N 6.371 126.325 119.914 0.066 0.000 2.370 285 V HA 0.386 4.506 4.120 0.001 0.000 0.279 285 V C -0.228 175.893 176.094 0.043 0.000 1.029 285 V CA -0.545 61.797 62.300 0.070 0.000 0.870 285 V CB 1.504 33.334 31.823 0.010 0.000 0.984 285 V HN 0.650 nan 8.190 nan 0.000 0.451 286 L N 7.154 128.409 121.223 0.053 0.000 2.275 286 L HA 0.562 4.903 4.340 0.001 0.000 0.288 286 L C -0.541 176.349 176.870 0.033 0.000 1.046 286 L CA 0.138 54.997 54.840 0.031 0.000 0.805 286 L CB 0.985 43.056 42.059 0.020 0.000 1.193 286 L HN 0.571 nan 8.230 nan 0.000 0.426 287 L N 8.321 129.560 121.223 0.026 0.000 2.408 287 L HA 0.431 4.771 4.340 0.001 0.000 0.257 287 L C -1.912 174.984 176.870 0.042 0.000 1.053 287 L CA -1.146 53.713 54.840 0.031 0.000 0.922 287 L CB 1.289 43.358 42.059 0.016 0.000 1.261 287 L HN 0.520 nan 8.230 nan 0.000 0.458 288 P HA 0.167 nan 4.420 nan 0.000 0.220 288 P C -0.995 176.373 177.300 0.114 0.000 1.793 288 P CA -0.083 63.078 63.100 0.102 0.000 0.917 288 P CB -0.095 31.691 31.700 0.143 0.000 1.755 289 L N -3.281 117.981 121.223 0.065 0.000 2.491 289 L HA 1.028 5.369 4.340 0.001 0.000 0.254 289 L C -1.344 175.561 176.870 0.060 0.000 1.048 289 L CA -1.426 53.444 54.840 0.050 0.000 0.855 289 L CB 1.359 43.446 42.059 0.046 0.000 1.466 289 L HN -0.119 nan 8.230 nan 0.000 0.409 290 A N -0.733 122.141 122.820 0.091 0.000 2.589 290 A HA 0.970 5.290 4.320 0.001 0.000 0.296 290 A C -0.584 177.109 177.584 0.182 0.000 1.062 290 A CA 0.116 52.243 52.037 0.150 0.000 0.686 290 A CB 1.346 20.467 19.000 0.202 0.000 1.282 290 A HN 1.429 nan 8.150 nan 0.000 0.404 291 G N -0.371 108.531 108.800 0.171 0.000 3.086 291 G HA2 0.726 4.687 3.960 0.001 0.000 0.282 291 G HA3 0.726 4.687 3.960 0.001 0.000 0.282 291 G C 0.248 175.248 174.900 0.168 0.000 1.343 291 G CA -0.048 45.136 45.100 0.141 0.000 0.895 291 G HN 1.458 nan 8.290 nan 0.000 0.557 292 G N -1.698 107.129 108.800 0.046 0.000 2.636 292 G HA2 0.384 4.345 3.960 0.001 0.000 0.246 292 G HA3 0.384 4.345 3.960 0.001 0.000 0.246 292 G C -0.309 174.581 174.900 -0.016 0.000 1.216 292 G CA -0.319 44.744 45.100 -0.062 0.000 0.854 292 G HN 0.689 nan 8.290 nan 0.000 0.572 293 Y N 0.570 120.769 120.300 -0.168 0.000 2.881 293 Y HA 0.223 4.773 4.550 0.000 0.000 0.335 293 Y C 0.709 176.575 175.900 -0.057 0.000 1.263 293 Y CA 1.069 59.110 58.100 -0.097 0.000 1.572 293 Y CB 0.465 38.853 38.460 -0.120 0.000 1.237 293 Y HN 0.423 nan 8.280 nan 0.000 0.568 294 S N 6.703 122.122 115.700 -0.470 0.000 2.707 294 S HA 0.298 4.768 4.470 0.001 0.000 0.303 294 S C 0.684 175.054 174.600 -0.383 0.000 1.132 294 S CA -0.843 57.200 58.200 -0.261 0.000 1.046 294 S CB 1.065 64.180 63.200 -0.141 0.000 1.004 294 S HN 0.966 nan 8.310 nan 0.000 0.483 295 R N 3.627 124.040 120.500 -0.146 0.000 2.073 295 R HA -0.047 4.294 4.340 0.001 0.000 0.234 295 R C 1.849 178.101 176.300 -0.080 0.000 1.134 295 R CA 2.141 58.202 56.100 -0.065 0.000 0.952 295 R CB -0.570 29.777 30.300 0.078 0.000 0.850 295 R HN 0.583 nan 8.270 nan 0.000 0.433 296 V N 0.692 120.572 119.914 -0.057 0.000 2.379 296 V HA -0.149 3.972 4.120 0.001 0.000 0.245 296 V C 2.055 178.113 176.094 -0.060 0.000 1.044 296 V CA 1.539 63.814 62.300 -0.042 0.000 1.036 296 V CB -0.221 31.589 31.823 -0.022 0.000 0.664 296 V HN 0.406 nan 8.190 nan 0.000 0.453 297 L N 1.055 122.228 121.223 -0.083 0.000 2.083 297 L HA -0.101 4.239 4.340 0.001 0.000 0.209 297 L C 2.124 178.935 176.870 -0.099 0.000 1.083 297 L CA 2.115 56.906 54.840 -0.082 0.000 0.752 297 L CB -1.161 40.847 42.059 -0.084 0.000 0.899 297 L HN 0.372 nan 8.230 nan 0.000 0.433 298 N N -0.144 118.464 118.700 -0.152 0.000 2.188 298 N HA -0.070 4.670 4.740 0.001 0.000 0.184 298 N C 1.834 177.298 175.510 -0.076 0.000 1.018 298 N CA 1.438 54.405 53.050 -0.139 0.000 0.858 298 N CB -0.433 37.920 38.487 -0.224 0.000 0.989 298 N HN 0.472 nan 8.380 nan 0.000 0.426 299 A N 0.626 123.408 122.820 -0.063 0.000 1.902 299 A HA 0.051 4.372 4.320 0.001 0.000 0.217 299 A C 2.276 179.841 177.584 -0.032 0.000 1.181 299 A CA 1.811 53.828 52.037 -0.034 0.000 0.623 299 A CB -0.874 18.112 19.000 -0.023 0.000 0.818 299 A HN 0.299 nan 8.150 nan 0.000 0.443 300 A N -1.055 121.743 122.820 -0.038 0.000 1.933 300 A HA -0.150 4.170 4.320 0.001 0.000 0.218 300 A C 2.281 179.842 177.584 -0.038 0.000 1.175 300 A CA 1.662 53.678 52.037 -0.035 0.000 0.628 300 A CB -1.179 17.800 19.000 -0.035 0.000 0.814 300 A HN 0.595 nan 8.150 nan 0.000 0.444 301 C N -1.173 118.102 119.300 -0.042 0.000 2.446 301 C HA -0.078 4.382 4.460 0.001 0.000 0.277 301 C C 2.819 177.791 174.990 -0.030 0.000 1.275 301 C CA 1.154 60.149 59.018 -0.038 0.000 1.727 301 C CB -1.179 26.537 27.740 -0.039 0.000 2.010 301 C HN 0.780 nan 8.230 nan 0.000 0.486 302 Q N 0.909 120.693 119.800 -0.027 0.000 2.050 302 Q HA -0.264 4.077 4.340 0.001 0.000 0.202 302 Q C 2.387 178.376 176.000 -0.017 0.000 0.980 302 Q CA 1.822 57.615 55.803 -0.017 0.000 0.840 302 Q CB -0.173 28.558 28.738 -0.012 0.000 0.898 302 Q HN 0.545 nan 8.270 nan 0.000 0.424 303 R N 0.174 120.662 120.500 -0.020 0.000 2.083 303 R HA -0.163 4.178 4.340 0.001 0.000 0.237 303 R C 2.165 178.450 176.300 -0.025 0.000 1.137 303 R CA 1.472 57.560 56.100 -0.020 0.000 0.951 303 R CB -0.764 29.523 30.300 -0.022 0.000 0.851 303 R HN 0.388 nan 8.270 nan 0.000 0.434 304 L N 0.157 121.361 121.223 -0.033 0.000 2.141 304 L HA 0.093 4.434 4.340 0.001 0.000 0.209 304 L C 2.028 178.879 176.870 -0.032 0.000 1.094 304 L CA 2.041 56.856 54.840 -0.041 0.000 0.763 304 L CB -0.811 41.216 42.059 -0.055 0.000 0.908 304 L HN 0.301 nan 8.230 nan 0.000 0.437 305 A N -0.624 122.182 122.820 -0.024 0.000 1.898 305 A HA -0.136 4.185 4.320 0.001 0.000 0.216 305 A C 2.284 179.862 177.584 -0.011 0.000 1.181 305 A CA 1.137 53.165 52.037 -0.015 0.000 0.620 305 A CB -0.444 18.549 19.000 -0.011 0.000 0.819 305 A HN 0.411 nan 8.150 nan 0.000 0.442 306 R N -0.233 120.261 120.500 -0.010 0.000 2.237 306 R HA -0.008 4.332 4.340 0.001 0.000 0.219 306 R C 1.845 178.140 176.300 -0.009 0.000 1.080 306 R CA 1.006 57.102 56.100 -0.007 0.000 0.995 306 R CB -0.577 29.719 30.300 -0.006 0.000 0.875 306 R HN 0.491 nan 8.270 nan 0.000 0.462 307 A N 0.260 123.071 122.820 -0.015 0.000 2.259 307 A HA 0.252 4.572 4.320 0.001 0.000 0.208 307 A C 1.240 178.815 177.584 -0.015 0.000 1.201 307 A CA 0.755 52.782 52.037 -0.017 0.000 0.824 307 A CB -0.045 18.939 19.000 -0.027 0.000 0.838 307 A HN 0.404 nan 8.150 nan 0.000 0.485 308 G N -1.592 107.202 108.800 -0.010 0.000 2.130 308 G HA2 -0.151 3.810 3.960 0.001 0.000 0.216 308 G HA3 -0.151 3.810 3.960 0.001 0.000 0.216 308 G C 0.008 174.906 174.900 -0.004 0.000 0.999 308 G CA 0.055 45.152 45.100 -0.004 0.000 0.686 308 G HN 0.733 nan 8.290 nan 0.000 0.515 309 V N 0.160 120.067 119.914 -0.011 0.000 2.612 309 V HA 0.700 4.821 4.120 0.001 0.000 0.301 309 V C 0.696 176.787 176.094 -0.004 0.000 1.046 309 V CA -0.449 61.845 62.300 -0.010 0.000 0.946 309 V CB 1.936 33.741 31.823 -0.030 0.000 1.003 309 V HN 0.602 nan 8.190 nan 0.000 0.459 310 V N 6.438 126.355 119.914 0.006 0.000 2.383 310 V HA 0.529 4.649 4.120 0.001 0.000 0.275 310 V C -0.739 175.359 176.094 0.006 0.000 1.036 310 V CA -0.264 62.040 62.300 0.007 0.000 0.889 310 V CB 1.138 32.969 31.823 0.013 0.000 0.985 310 V HN 0.657 nan 8.190 nan 0.000 0.459 311 L N 7.364 128.586 121.223 -0.001 0.000 2.296 311 L HA 0.608 4.948 4.340 0.001 0.000 0.286 311 L C -0.183 176.686 176.870 -0.001 0.000 1.023 311 L CA -0.072 54.766 54.840 -0.002 0.000 0.812 311 L CB 1.852 43.904 42.059 -0.012 0.000 1.223 311 L HN 0.448 nan 8.230 nan 0.000 0.421 312 V N 1.970 121.886 119.914 0.003 0.000 2.459 312 V HA 0.725 4.846 4.120 0.001 0.000 0.295 312 V C 0.067 176.161 176.094 -0.000 0.000 1.029 312 V CA -0.406 61.894 62.300 -0.001 0.000 0.874 312 V CB 1.802 33.627 31.823 0.002 0.000 0.985 312 V HN 0.814 nan 8.190 nan 0.000 0.438 313 T N 3.011 117.560 114.554 -0.007 0.000 2.906 313 T HA 0.743 5.093 4.350 0.001 0.000 0.295 313 T C -0.298 174.393 174.700 -0.014 0.000 1.075 313 T CA -0.026 62.072 62.100 -0.003 0.000 1.005 313 T CB 1.702 70.569 68.868 -0.002 0.000 1.136 313 T HN 1.018 nan 8.240 nan 0.000 0.498 314 A N 1.669 124.486 122.820 -0.006 0.000 2.440 314 A HA 0.629 4.949 4.320 0.001 0.000 0.251 314 A C 1.562 179.119 177.584 -0.045 0.000 1.089 314 A CA 0.264 52.286 52.037 -0.025 0.000 0.779 314 A CB -0.071 18.923 19.000 -0.010 0.000 1.022 314 A HN 1.174 nan 8.150 nan 0.000 0.492 315 A N 2.092 124.862 122.820 -0.084 0.000 2.019 315 A HA 0.431 4.752 4.320 0.001 0.000 0.219 315 A C 1.496 179.015 177.584 -0.109 0.000 1.164 315 A CA 1.642 53.619 52.037 -0.100 0.000 0.644 315 A CB -0.914 17.991 19.000 -0.157 0.000 0.805 315 A HN 2.851 nan 8.150 nan 0.000 0.449 316 G N -1.764 106.946 108.800 -0.150 0.000 2.587 316 G HA2 -0.010 3.951 3.960 0.001 0.000 0.686 316 G HA3 -0.010 3.951 3.960 0.001 0.000 0.686 316 G C -0.613 174.023 174.900 -0.440 0.000 1.236 316 G CA -0.192 44.733 45.100 -0.292 0.000 0.820 316 G HN 0.228 nan 8.290 nan 0.000 0.645 317 N N -0.051 118.121 118.700 -0.880 0.000 2.321 317 N HA 0.298 5.039 4.740 0.001 0.000 0.242 317 N C 0.514 175.625 175.510 -0.665 0.000 1.141 317 N CA -0.120 52.543 53.050 -0.645 0.000 0.864 317 N CB 0.008 38.184 38.487 -0.518 0.000 1.100 317 N HN 0.391 nan 8.380 nan 0.000 0.510 318 F N 0.121 119.976 119.950 -0.159 0.000 2.641 318 F HA 0.332 4.859 4.527 0.001 0.000 0.302 318 F C 1.081 176.876 175.800 -0.008 0.000 1.098 318 F CA -0.573 57.363 58.000 -0.108 0.000 1.318 318 F CB 0.061 38.926 39.000 -0.225 0.000 1.035 318 F HN -0.096 nan 8.300 nan 0.000 0.551 319 R N 1.945 122.534 120.500 0.148 0.000 3.225 319 R HA -0.241 4.099 4.340 0.001 0.000 0.245 319 R C -1.042 175.373 176.300 0.192 0.000 0.928 319 R CA 0.628 56.908 56.100 0.301 0.000 0.632 319 R CB -1.343 29.136 30.300 0.298 0.000 1.038 319 R HN 0.411 nan 8.270 nan 0.000 0.461 320 D N -0.999 119.235 120.400 -0.275 0.000 2.664 320 D HA 0.166 4.806 4.640 0.001 0.000 0.292 320 D C -1.473 174.303 176.300 -0.874 0.000 1.214 320 D CA -0.621 53.197 54.000 -0.304 0.000 0.932 320 D CB 1.264 42.156 40.800 0.154 0.000 1.420 320 D HN 0.146 nan 8.370 nan 0.000 0.471 321 D N 0.073 120.269 120.400 -0.339 0.000 2.339 321 D HA 0.341 4.982 4.640 0.001 0.000 0.256 321 D C 0.580 176.900 176.300 0.032 0.000 1.214 321 D CA -0.066 53.823 54.000 -0.185 0.000 0.877 321 D CB 1.259 42.085 40.800 0.043 0.000 1.111 321 D HN 0.379 nan 8.370 nan 0.000 0.478 322 A N 3.432 126.246 122.820 -0.010 0.000 2.121 322 A HA -0.133 4.188 4.320 0.001 0.000 0.218 322 A C 2.284 179.989 177.584 0.201 0.000 1.154 322 A CA 0.570 52.694 52.037 0.144 0.000 0.679 322 A CB -0.521 18.486 19.000 0.011 0.000 0.795 322 A HN 0.771 nan 8.150 nan 0.000 0.458 323 c N -0.673 117.999 118.600 0.121 0.000 2.430 323 c HA 0.024 4.595 4.570 0.001 0.000 0.288 323 c C 2.038 176.202 174.090 0.124 0.000 1.448 323 c CA 0.607 57.011 56.329 0.124 0.000 1.784 323 c CB -1.482 41.080 42.510 0.087 0.000 1.776 323 c HN 0.617 nan 8.230 nan 0.000 0.547 324 L N -1.636 119.602 121.223 0.025 0.000 2.592 324 L HA 0.191 4.532 4.340 0.001 0.000 0.227 324 L C -0.129 176.443 176.870 -0.496 0.000 1.127 324 L CA 0.351 55.046 54.840 -0.243 0.000 0.884 324 L CB -0.336 41.466 42.059 -0.427 0.000 1.065 324 L HN 0.363 nan 8.230 nan 0.000 0.457 325 Y N -1.537 118.818 120.300 0.092 0.000 2.602 325 Y HA 0.530 5.081 4.550 0.001 0.000 0.342 325 Y C 0.231 176.143 175.900 0.020 0.000 1.029 325 Y CA -0.857 57.275 58.100 0.054 0.000 1.080 325 Y CB 1.942 40.443 38.460 0.069 0.000 1.284 325 Y HN -0.268 nan 8.280 nan 0.000 0.485 326 S N 1.681 117.455 115.700 0.123 0.000 2.570 326 S HA 0.334 4.805 4.470 0.001 0.000 0.286 326 S C -2.359 172.266 174.600 0.042 0.000 1.099 326 S CA -1.314 56.887 58.200 0.000 0.000 0.913 326 S CB 2.097 65.207 63.200 -0.150 0.000 1.085 326 S HN 0.477 nan 8.310 nan 0.000 0.480 327 P HA 0.110 nan 4.420 nan 0.000 0.245 327 P C 1.054 178.354 177.300 -0.001 0.000 1.212 327 P CA 0.267 63.354 63.100 -0.021 0.000 0.774 327 P CB -0.157 31.531 31.700 -0.020 0.000 0.999 328 A N 1.791 124.635 122.820 0.040 0.000 1.940 328 A HA -0.249 4.072 4.320 0.001 0.000 0.221 328 A C 2.341 179.950 177.584 0.041 0.000 1.190 328 A CA 2.713 54.776 52.037 0.043 0.000 0.647 328 A CB -1.560 17.490 19.000 0.083 0.000 0.821 328 A HN 0.437 nan 8.150 nan 0.000 0.457 329 S N -0.747 114.987 115.700 0.056 0.000 2.562 329 S HA 0.496 4.967 4.470 0.001 0.000 0.221 329 S C 0.887 175.514 174.600 0.044 0.000 0.975 329 S CA 0.363 58.610 58.200 0.078 0.000 0.918 329 S CB -0.585 62.715 63.200 0.166 0.000 0.772 329 S HN 1.022 nan 8.310 nan 0.000 0.531 330 A N 3.107 125.922 122.820 -0.007 0.000 2.491 330 A HA 0.468 4.789 4.320 0.001 0.000 0.261 330 A C -1.115 176.474 177.584 0.010 0.000 1.101 330 A CA -1.266 50.762 52.037 -0.015 0.000 0.772 330 A CB 0.055 19.032 19.000 -0.039 0.000 1.043 330 A HN 0.280 nan 8.150 nan 0.000 0.501 331 P HA -0.108 nan 4.420 nan 0.000 0.218 331 P C 0.674 177.985 177.300 0.018 0.000 1.149 331 P CA 1.201 64.319 63.100 0.030 0.000 0.817 331 P CB 0.270 31.994 31.700 0.041 0.000 0.785 332 E N -0.381 119.825 120.200 0.009 0.000 2.403 332 E HA 0.098 4.449 4.350 0.001 0.000 0.188 332 E C 0.357 176.957 176.600 -0.001 0.000 1.056 332 E CA -0.101 56.302 56.400 0.005 0.000 0.892 332 E CB 0.211 29.913 29.700 0.003 0.000 1.049 332 E HN 0.167 nan 8.360 nan 0.000 0.465 333 V N -1.712 118.200 119.914 -0.003 0.000 2.975 333 V HA 0.485 4.606 4.120 0.001 0.000 0.318 333 V C -0.068 176.021 176.094 -0.008 0.000 1.077 333 V CA -0.992 61.304 62.300 -0.007 0.000 1.000 333 V CB 1.687 33.504 31.823 -0.011 0.000 1.066 333 V HN -0.055 nan 8.190 nan 0.000 0.452 334 I N 2.347 122.911 120.570 -0.011 0.000 2.304 334 I HA 0.381 4.552 4.170 0.001 0.000 0.291 334 I C 0.071 176.170 176.117 -0.029 0.000 1.018 334 I CA 0.069 61.359 61.300 -0.018 0.000 1.260 334 I CB 1.436 39.428 38.000 -0.013 0.000 1.390 334 I HN 0.730 nan 8.210 nan 0.000 0.475 335 T N 6.095 120.622 114.554 -0.046 0.000 2.771 335 T HA 0.482 4.833 4.350 0.001 0.000 0.281 335 T C -0.186 174.439 174.700 -0.125 0.000 0.982 335 T CA -0.468 61.591 62.100 -0.068 0.000 0.978 335 T CB 1.650 70.483 68.868 -0.059 0.000 0.930 335 T HN 0.183 nan 8.240 nan 0.000 0.447 336 V N 2.831 122.665 119.914 -0.132 0.000 2.444 336 V HA 0.721 4.842 4.120 0.001 0.000 0.294 336 V C 0.764 176.710 176.094 -0.246 0.000 1.022 336 V CA -0.856 61.336 62.300 -0.181 0.000 0.850 336 V CB 1.637 33.410 31.823 -0.084 0.000 0.992 336 V HN 1.009 nan 8.190 nan 0.000 0.426 337 G N 2.711 111.207 108.800 -0.507 0.000 2.502 337 G HA2 0.699 4.660 3.960 0.001 0.000 0.305 337 G HA3 0.699 4.660 3.960 0.001 0.000 0.305 337 G C -0.443 174.454 174.900 -0.005 0.000 1.190 337 G CA -0.265 44.571 45.100 -0.441 0.000 0.933 337 G HN 1.103 nan 8.290 nan 0.000 0.503 338 A N 0.203 123.160 122.820 0.228 0.000 2.318 338 A HA 0.806 5.127 4.320 0.001 0.000 0.324 338 A C 0.352 178.064 177.584 0.213 0.000 1.170 338 A CA -0.310 51.845 52.037 0.195 0.000 0.810 338 A CB 0.991 20.045 19.000 0.091 0.000 1.198 338 A HN 1.176 nan 8.150 nan 0.000 0.484 339 T N 0.032 114.675 114.554 0.148 0.000 2.942 339 T HA 0.685 5.036 4.350 0.001 0.000 0.289 339 T C -0.097 174.647 174.700 0.073 0.000 1.044 339 T CA -0.846 61.260 62.100 0.009 0.000 1.023 339 T CB 1.368 70.225 68.868 -0.020 0.000 1.123 339 T HN 0.781 nan 8.240 nan 0.000 0.512 340 N N -0.100 118.563 118.700 -0.061 0.000 2.671 340 N HA 0.576 5.317 4.740 0.001 0.000 0.303 340 N C 1.312 176.534 175.510 -0.480 0.000 1.277 340 N CA -0.611 52.348 53.050 -0.152 0.000 0.933 340 N CB 0.077 38.428 38.487 -0.226 0.000 1.190 340 N HN 0.712 nan 8.380 nan 0.000 0.600 341 A N -1.285 120.865 122.820 -1.117 0.000 2.125 341 A HA -0.132 4.189 4.320 0.001 0.000 0.219 341 A C 1.262 178.516 177.584 -0.550 0.000 1.156 341 A CA 1.239 52.432 52.037 -1.406 0.000 0.671 341 A CB -0.718 17.407 19.000 -1.459 0.000 0.794 341 A HN 0.644 nan 8.150 nan 0.000 0.459 342 Q N -0.372 119.196 119.800 -0.388 0.000 2.280 342 Q HA 0.139 4.479 4.340 0.001 0.000 0.202 342 Q C -0.296 175.592 176.000 -0.186 0.000 0.903 342 Q CA 0.358 56.019 55.803 -0.237 0.000 0.948 342 Q CB 0.184 28.798 28.738 -0.206 0.000 1.058 342 Q HN 0.506 nan 8.270 nan 0.000 0.493 343 D N -0.357 119.940 120.400 -0.171 0.000 3.012 343 D HA -0.154 4.487 4.640 0.001 0.000 0.222 343 D C -0.542 175.632 176.300 -0.209 0.000 1.167 343 D CA 0.872 54.798 54.000 -0.123 0.000 0.854 343 D CB -0.346 40.403 40.800 -0.084 0.000 1.107 343 D HN 0.246 nan 8.370 nan 0.000 0.421 344 Q N -0.664 118.975 119.800 -0.268 0.000 2.248 344 Q HA 0.530 4.871 4.340 0.001 0.000 0.263 344 Q C -2.319 173.362 176.000 -0.531 0.000 1.007 344 Q CA -1.859 53.703 55.803 -0.402 0.000 0.877 344 Q CB 0.691 29.215 28.738 -0.357 0.000 1.315 344 Q HN -0.003 nan 8.270 nan 0.000 0.454 345 P HA 0.006 nan 4.420 nan 0.000 0.268 345 P C -0.479 176.302 177.300 -0.865 0.000 1.204 345 P CA -0.022 62.452 63.100 -1.044 0.000 0.768 345 P CB 0.422 30.953 31.700 -1.947 0.000 0.842 346 V N 4.485 124.159 119.914 -0.399 0.000 2.508 346 V HA 0.078 4.199 4.120 0.001 0.000 0.281 346 V C 0.802 176.888 176.094 -0.014 0.000 1.041 346 V CA 0.451 62.653 62.300 -0.163 0.000 1.016 346 V CB 0.415 32.217 31.823 -0.034 0.000 0.984 346 V HN 0.540 nan 8.190 nan 0.000 0.478 347 T N 7.276 121.882 114.554 0.086 0.000 2.889 347 T HA 0.615 4.965 4.350 0.001 0.000 0.291 347 T C -0.247 174.525 174.700 0.119 0.000 0.995 347 T CA -0.177 62.056 62.100 0.222 0.000 1.092 347 T CB 0.472 69.478 68.868 0.230 0.000 0.954 347 T HN 0.415 nan 8.240 nan 0.000 0.506 348 L N 3.165 124.458 121.223 0.118 0.000 2.471 348 L HA 0.515 4.855 4.340 0.001 0.000 0.263 348 L C 1.123 178.026 176.870 0.056 0.000 0.985 348 L CA -0.765 54.111 54.840 0.060 0.000 0.868 348 L CB 0.916 42.990 42.059 0.025 0.000 1.203 348 L HN 0.957 nan 8.230 nan 0.000 0.429 349 G N 2.491 111.319 108.800 0.047 0.000 2.629 349 G HA2 -0.423 3.538 3.960 0.001 0.000 0.313 349 G HA3 -0.423 3.538 3.960 0.001 0.000 0.313 349 G C 0.833 175.765 174.900 0.054 0.000 1.217 349 G CA 0.868 45.994 45.100 0.043 0.000 0.994 349 G HN 0.666 nan 8.290 nan 0.000 0.549 350 T N -0.333 114.252 114.554 0.052 0.000 3.100 350 T HA 0.587 4.938 4.350 0.001 0.000 0.253 350 T C 1.613 176.355 174.700 0.070 0.000 1.118 350 T CA 1.312 63.443 62.100 0.051 0.000 1.058 350 T CB 0.051 68.945 68.868 0.043 0.000 0.953 350 T HN 0.524 nan 8.240 nan 0.000 0.515 351 L N -0.292 120.984 121.223 0.089 0.000 2.790 351 L HA 0.836 5.176 4.340 0.001 0.000 0.219 351 L C 1.035 178.012 176.870 0.179 0.000 2.006 351 L CA -0.676 54.236 54.840 0.120 0.000 2.500 351 L CB 0.536 42.655 42.059 0.100 0.000 2.732 351 L HN 0.420 nan 8.230 nan 0.000 0.605 352 G N -0.954 107.953 108.800 0.179 0.000 2.345 352 G HA2 0.105 4.065 3.960 0.001 0.000 0.285 352 G HA3 0.105 4.065 3.960 0.001 0.000 0.285 352 G C -1.175 173.871 174.900 0.243 0.000 1.297 352 G CA -0.268 44.990 45.100 0.264 0.000 0.875 352 G HN 0.405 nan 8.290 nan 0.000 0.506 353 T N 0.616 115.338 114.554 0.281 0.000 2.940 353 T HA 0.356 4.707 4.350 0.001 0.000 0.309 353 T C 0.851 175.763 174.700 0.352 0.000 1.056 353 T CA 0.076 62.314 62.100 0.229 0.000 1.137 353 T CB -0.200 68.819 68.868 0.251 0.000 0.976 353 T HN 0.523 nan 8.240 nan 0.000 0.547 354 N N 2.251 121.005 118.700 0.090 0.000 2.317 354 N HA 0.524 5.265 4.740 0.001 0.000 0.245 354 N C -0.276 175.275 175.510 0.069 0.000 1.294 354 N CA -0.139 52.842 53.050 -0.115 0.000 0.924 354 N CB 0.220 38.580 38.487 -0.211 0.000 1.186 354 N HN 0.683 nan 8.380 nan 0.000 0.495 355 F N -3.629 116.403 119.950 0.138 0.000 3.129 355 F HA 0.803 5.333 4.527 0.005 0.000 0.326 355 F C 0.492 176.241 175.800 -0.083 0.000 1.202 355 F CA -0.662 57.339 58.000 0.001 0.000 0.929 355 F CB 0.478 39.412 39.000 -0.111 0.000 1.473 355 F HN 0.663 nan 8.300 nan 0.000 0.512 356 G N 0.616 109.503 108.800 0.146 0.000 2.566 356 G HA2 -0.050 3.910 3.960 0.001 0.000 0.599 356 G HA3 -0.050 3.910 3.960 0.001 0.000 0.599 356 G C -0.073 174.787 174.900 -0.067 0.000 1.292 356 G CA -0.273 44.849 45.100 0.038 0.000 0.922 356 G HN 1.344 nan 8.290 nan 0.000 0.514 357 R N -1.435 119.016 120.500 -0.081 0.000 2.307 357 R HA 0.203 4.543 4.340 0.001 0.000 0.199 357 R C 1.945 178.242 176.300 -0.004 0.000 1.000 357 R CA 1.693 57.747 56.100 -0.077 0.000 1.023 357 R CB -0.492 29.771 30.300 -0.061 0.000 0.908 357 R HN 0.427 nan 8.270 nan 0.000 0.473 358 c N 0.829 119.432 118.600 0.004 0.000 2.618 358 c HA 0.261 4.832 4.570 0.001 0.000 0.264 358 c C 0.694 174.768 174.090 -0.026 0.000 1.334 358 c CA -0.479 55.860 56.329 0.016 0.000 1.731 358 c CB -0.284 42.253 42.510 0.046 0.000 1.852 358 c HN 0.208 nan 8.230 nan 0.000 0.566 359 V N 2.064 121.937 119.914 -0.068 0.000 2.465 359 V HA 0.138 4.259 4.120 0.001 0.000 0.279 359 V C 0.642 176.663 176.094 -0.121 0.000 1.045 359 V CA 0.429 62.642 62.300 -0.145 0.000 0.938 359 V CB 1.201 32.864 31.823 -0.266 0.000 0.986 359 V HN 0.410 nan 8.190 nan 0.000 0.467 360 D N 3.683 124.013 120.400 -0.117 0.000 2.216 360 D HA 0.180 4.821 4.640 0.001 0.000 0.208 360 D C 0.372 176.642 176.300 -0.050 0.000 0.960 360 D CA 0.998 54.962 54.000 -0.060 0.000 0.861 360 D CB 0.841 41.616 40.800 -0.041 0.000 0.985 360 D HN 0.546 nan 8.370 nan 0.000 0.493 361 L N -3.905 117.248 121.223 -0.116 0.000 2.999 361 L HA 0.493 4.834 4.340 0.001 0.000 0.274 361 L C -1.626 175.133 176.870 -0.185 0.000 1.044 361 L CA -1.007 53.816 54.840 -0.029 0.000 0.943 361 L CB 1.289 43.366 42.059 0.031 0.000 1.522 361 L HN -0.321 nan 8.230 nan 0.000 0.400 362 F N 0.383 120.340 119.950 0.011 0.000 2.541 362 F HA 0.960 5.492 4.527 0.010 0.000 0.331 362 F C 0.558 176.347 175.800 -0.018 0.000 1.057 362 F CA -0.035 57.968 58.000 0.006 0.000 0.975 362 F CB 2.130 41.141 39.000 0.019 0.000 1.246 362 F HN 0.866 nan 8.300 nan 0.000 0.484 363 A N 0.818 123.722 122.820 0.140 0.000 2.602 363 A HA 0.734 5.055 4.320 0.001 0.000 0.290 363 A C -3.028 174.507 177.584 -0.081 0.000 1.114 363 A CA -1.901 50.131 52.037 -0.009 0.000 0.683 363 A CB 1.174 20.139 19.000 -0.058 0.000 1.281 363 A HN 0.371 nan 8.150 nan 0.000 0.416 364 P HA 0.241 nan 4.420 nan 0.000 0.260 364 P C 0.613 177.787 177.300 -0.210 0.000 1.185 364 P CA 1.086 64.007 63.100 -0.298 0.000 0.763 364 P CB 0.528 31.665 31.700 -0.939 0.000 0.776 365 G N 2.303 111.152 108.800 0.083 0.000 4.530 365 G HA2 0.105 4.066 3.960 0.001 0.000 0.284 365 G HA3 0.105 4.066 3.960 0.001 0.000 0.284 365 G C -0.325 174.667 174.900 0.153 0.000 1.008 365 G CA -0.009 45.154 45.100 0.103 0.000 0.770 365 G HN 0.481 nan 8.290 nan 0.000 0.424 366 E N 0.789 121.147 120.200 0.263 0.000 2.293 366 E HA 0.422 4.773 4.350 0.001 0.000 0.270 366 E C -0.792 176.015 176.600 0.344 0.000 0.879 366 E CA -0.677 55.852 56.400 0.216 0.000 0.756 366 E CB 1.532 31.293 29.700 0.103 0.000 1.208 366 E HN -0.014 nan 8.360 nan 0.000 0.428 367 D N 3.210 123.747 120.400 0.230 0.000 2.737 367 D HA -0.149 4.492 4.640 0.001 0.000 0.238 367 D C -1.143 175.388 176.300 0.386 0.000 1.157 367 D CA 0.545 54.702 54.000 0.262 0.000 0.694 367 D CB -0.725 40.202 40.800 0.212 0.000 1.021 367 D HN 0.310 nan 8.370 nan 0.000 0.420 368 I N 1.905 122.648 120.570 0.288 0.000 2.312 368 I HA 0.364 4.534 4.170 0.001 0.000 0.290 368 I C 0.943 177.237 176.117 0.295 0.000 1.008 368 I CA -0.992 60.458 61.300 0.250 0.000 1.226 368 I CB 0.824 38.990 38.000 0.277 0.000 1.371 368 I HN 0.171 nan 8.210 nan 0.000 0.468 369 I N 5.619 126.313 120.570 0.206 0.000 2.472 369 I HA 0.697 4.868 4.170 0.001 0.000 0.290 369 I C 0.495 176.715 176.117 0.171 0.000 1.016 369 I CA 0.761 62.206 61.300 0.242 0.000 1.348 369 I CB 1.309 39.405 38.000 0.160 0.000 1.417 369 I HN 0.713 nan 8.210 nan 0.000 0.521 370 G N 4.596 113.528 108.800 0.221 0.000 2.495 370 G HA2 0.585 4.546 3.960 0.001 0.000 0.294 370 G HA3 0.585 4.546 3.960 0.001 0.000 0.294 370 G C -1.492 173.292 174.900 -0.192 0.000 1.397 370 G CA -0.379 44.642 45.100 -0.132 0.000 0.790 370 G HN 0.828 nan 8.290 nan 0.000 0.486 371 A N 0.020 122.508 122.820 -0.553 0.000 2.567 371 A HA 0.517 4.837 4.320 0.001 0.000 0.240 371 A C 0.843 178.150 177.584 -0.463 0.000 1.053 371 A CA 1.183 52.676 52.037 -0.908 0.000 0.755 371 A CB 0.125 18.396 19.000 -1.215 0.000 0.978 371 A HN 1.867 nan 8.150 nan 0.000 0.507 372 S N 1.570 117.078 115.700 -0.320 0.000 2.451 372 S HA 0.389 4.860 4.470 0.001 0.000 0.301 372 S C 1.105 175.712 174.600 0.011 0.000 1.116 372 S CA -0.057 58.107 58.200 -0.059 0.000 1.093 372 S CB 0.861 64.085 63.200 0.040 0.000 1.017 372 S HN 1.390 nan 8.310 nan 0.000 0.482 373 S N 3.162 118.871 115.700 0.014 0.000 2.660 373 S HA 0.018 4.488 4.470 0.001 0.000 0.223 373 S C 0.741 175.374 174.600 0.055 0.000 0.963 373 S CA 0.151 58.382 58.200 0.053 0.000 0.932 373 S CB -0.222 62.993 63.200 0.025 0.000 0.775 373 S HN 0.743 nan 8.310 nan 0.000 0.531 374 D N 1.521 121.952 120.400 0.052 0.000 2.178 374 D HA 0.029 4.670 4.640 0.001 0.000 0.202 374 D C 1.116 177.437 176.300 0.035 0.000 0.974 374 D CA 1.142 55.167 54.000 0.041 0.000 0.841 374 D CB 0.086 40.913 40.800 0.044 0.000 0.953 374 D HN 0.705 nan 8.370 nan 0.000 0.478 375 C N -1.732 117.592 119.300 0.040 0.000 3.307 375 C HA 0.410 4.871 4.460 0.001 0.000 0.333 375 C C 1.714 176.651 174.990 -0.088 0.000 1.291 375 C CA -0.146 58.868 59.018 -0.007 0.000 1.273 375 C CB 1.107 28.845 27.740 -0.004 0.000 1.580 375 C HN 0.124 nan 8.230 nan 0.000 0.481 376 S N 0.694 116.288 115.700 -0.177 0.000 2.493 376 S HA -0.103 4.367 4.470 0.001 0.000 0.243 376 S C 1.014 175.152 174.600 -0.769 0.000 0.991 376 S CA 1.928 59.875 58.200 -0.422 0.000 0.957 376 S CB -0.871 62.187 63.200 -0.237 0.000 0.756 376 S HN 1.653 nan 8.310 nan 0.000 0.521 377 T N -2.897 111.427 114.554 -0.382 0.000 3.043 377 T HA 0.388 4.739 4.350 0.001 0.000 0.272 377 T C 0.584 175.310 174.700 0.044 0.000 0.990 377 T CA -0.373 61.611 62.100 -0.195 0.000 0.897 377 T CB -0.819 68.030 68.868 -0.031 0.000 1.111 377 T HN 0.341 nan 8.240 nan 0.000 0.529 378 C N 1.815 121.142 119.300 0.044 0.000 2.595 378 C HA 0.730 5.191 4.460 0.001 0.000 0.384 378 C C -0.296 174.771 174.990 0.129 0.000 1.289 378 C CA -0.477 58.645 59.018 0.174 0.000 2.372 378 C CB -0.637 27.170 27.740 0.112 0.000 2.593 378 C HN 0.505 nan 8.230 nan 0.000 0.639 379 F N 0.356 120.378 119.950 0.121 0.000 2.588 379 F HA 0.692 5.219 4.527 0.001 0.000 0.310 379 F C 0.051 175.905 175.800 0.090 0.000 1.082 379 F CA -0.555 57.505 58.000 0.101 0.000 0.929 379 F CB 1.526 40.572 39.000 0.076 0.000 1.254 379 F HN 0.350 nan 8.300 nan 0.000 0.455 380 V N 1.123 121.202 119.914 0.275 0.000 3.078 380 V HA 0.680 4.801 4.120 0.001 0.000 0.311 380 V C -1.200 175.022 176.094 0.214 0.000 1.138 380 V CA -0.448 61.964 62.300 0.188 0.000 1.007 380 V CB 2.472 34.354 31.823 0.099 0.000 1.045 380 V HN 0.698 nan 8.190 nan 0.000 0.432 381 S N 3.385 119.162 115.700 0.128 0.000 2.437 381 S HA 0.669 5.139 4.470 0.001 0.000 0.305 381 S C -0.715 173.880 174.600 -0.009 0.000 1.109 381 S CA -0.463 57.813 58.200 0.126 0.000 1.099 381 S CB 0.870 64.144 63.200 0.123 0.000 1.004 381 S HN 0.768 nan 8.310 nan 0.000 0.475 382 Q N 1.711 121.454 119.800 -0.095 0.000 2.458 382 Q HA 0.627 4.967 4.340 0.001 0.000 0.282 382 Q C -1.246 174.737 176.000 -0.029 0.000 1.106 382 Q CA -0.900 54.781 55.803 -0.203 0.000 0.814 382 Q CB 2.350 30.708 28.738 -0.633 0.000 1.425 382 Q HN 0.573 nan 8.270 nan 0.000 0.437 383 S N -0.596 115.096 115.700 -0.013 0.000 2.548 383 S HA 0.962 5.433 4.470 0.001 0.000 0.286 383 S C -0.723 173.896 174.600 0.033 0.000 1.098 383 S CA -0.419 57.806 58.200 0.042 0.000 0.930 383 S CB 1.967 65.192 63.200 0.041 0.000 1.070 383 S HN 0.878 nan 8.310 nan 0.000 0.480 384 G N 0.383 109.211 108.800 0.048 0.000 2.350 384 G HA2 0.251 4.212 3.960 0.001 0.000 0.304 384 G HA3 0.251 4.212 3.960 0.001 0.000 0.304 384 G C 0.283 175.204 174.900 0.034 0.000 1.421 384 G CA -0.002 45.114 45.100 0.027 0.000 0.934 384 G HN 0.779 nan 8.290 nan 0.000 0.632 385 T N -1.909 112.645 114.554 -0.000 0.000 3.072 385 T HA 0.062 4.413 4.350 0.001 0.000 0.266 385 T C 2.259 176.969 174.700 0.017 0.000 1.127 385 T CA 2.170 64.268 62.100 -0.004 0.000 1.107 385 T CB -0.022 68.814 68.868 -0.053 0.000 0.910 385 T HN 0.474 nan 8.240 nan 0.000 0.513 386 S N 1.675 117.403 115.700 0.045 0.000 2.368 386 S HA -0.113 4.358 4.470 0.001 0.000 0.225 386 S C 2.201 176.833 174.600 0.052 0.000 1.030 386 S CA 1.180 59.420 58.200 0.067 0.000 0.999 386 S CB -0.373 62.917 63.200 0.151 0.000 0.844 386 S HN 0.450 nan 8.310 nan 0.000 0.459 387 Q N 1.209 121.055 119.800 0.078 0.000 2.084 387 Q HA 0.097 4.437 4.340 0.001 0.000 0.202 387 Q C 2.336 178.463 176.000 0.213 0.000 0.978 387 Q CA 1.530 57.413 55.803 0.133 0.000 0.844 387 Q CB -0.659 28.186 28.738 0.178 0.000 0.898 387 Q HN 0.547 nan 8.270 nan 0.000 0.426 388 A N 0.336 123.236 122.820 0.135 0.000 1.902 388 A HA -0.131 4.190 4.320 0.001 0.000 0.217 388 A C 2.230 179.873 177.584 0.097 0.000 1.181 388 A CA 1.836 53.929 52.037 0.094 0.000 0.623 388 A CB -1.006 18.012 19.000 0.030 0.000 0.818 388 A HN 0.390 nan 8.150 nan 0.000 0.443 389 A N -0.286 122.566 122.820 0.054 0.000 1.969 389 A HA 0.210 4.530 4.320 0.001 0.000 0.218 389 A C 2.457 180.059 177.584 0.030 0.000 1.169 389 A CA 1.860 53.912 52.037 0.026 0.000 0.635 389 A CB -0.905 18.101 19.000 0.010 0.000 0.810 389 A HN 1.059 nan 8.150 nan 0.000 0.445 390 A N -0.760 122.077 122.820 0.027 0.000 1.933 390 A HA -0.169 4.152 4.320 0.001 0.000 0.218 390 A C 1.911 179.453 177.584 -0.070 0.000 1.175 390 A CA 1.953 53.966 52.037 -0.041 0.000 0.628 390 A CB -0.820 18.123 19.000 -0.095 0.000 0.814 390 A HN 0.666 nan 8.150 nan 0.000 0.444 391 H N -1.204 117.826 119.070 -0.065 0.000 2.357 391 H HA -0.043 4.515 4.556 0.003 0.000 0.301 391 H C 2.063 177.356 175.328 -0.059 0.000 1.082 391 H CA 1.764 57.765 56.048 -0.078 0.000 1.342 391 H CB -0.082 29.625 29.762 -0.092 0.000 1.389 391 H HN 0.245 nan 8.280 nan 0.000 0.511 392 V N 0.409 120.374 119.914 0.084 0.000 2.453 392 V HA -0.195 3.926 4.120 0.001 0.000 0.247 392 V C 2.500 178.601 176.094 0.013 0.000 1.048 392 V CA 1.357 63.679 62.300 0.037 0.000 1.049 392 V CB -0.860 30.976 31.823 0.022 0.000 0.672 392 V HN 0.566 nan 8.190 nan 0.000 0.457 393 A N 0.657 123.478 122.820 0.002 0.000 1.908 393 A HA -0.136 4.185 4.320 0.001 0.000 0.218 393 A C 2.395 179.967 177.584 -0.020 0.000 1.181 393 A CA 2.088 54.120 52.037 -0.008 0.000 0.627 393 A CB -1.145 17.846 19.000 -0.016 0.000 0.818 393 A HN 0.525 nan 8.150 nan 0.000 0.445 394 G N -0.399 108.376 108.800 -0.041 0.000 2.421 394 G HA2 -0.083 3.878 3.960 0.001 0.000 0.217 394 G HA3 -0.083 3.878 3.960 0.001 0.000 0.217 394 G C 1.508 176.391 174.900 -0.029 0.000 1.143 394 G CA 0.936 46.005 45.100 -0.052 0.000 0.784 394 G HN 0.475 nan 8.290 nan 0.000 0.541 395 I N 1.297 121.859 120.570 -0.014 0.000 2.252 395 I HA -0.150 4.021 4.170 0.001 0.000 0.245 395 I C 3.263 179.385 176.117 0.009 0.000 1.102 395 I CA 0.935 62.234 61.300 -0.001 0.000 1.385 395 I CB -0.183 37.824 38.000 0.011 0.000 1.064 395 I HN 0.238 nan 8.210 nan 0.000 0.414 396 A N 0.839 123.665 122.820 0.010 0.000 1.933 396 A HA -0.149 4.171 4.320 0.001 0.000 0.218 396 A C 2.562 180.153 177.584 0.012 0.000 1.175 396 A CA 1.745 53.791 52.037 0.015 0.000 0.628 396 A CB -0.763 18.245 19.000 0.013 0.000 0.814 396 A HN 0.428 nan 8.150 nan 0.000 0.444 397 A N -0.410 122.411 122.820 0.003 0.000 1.908 397 A HA -0.176 4.145 4.320 0.001 0.000 0.218 397 A C 2.232 179.817 177.584 0.002 0.000 1.181 397 A CA 2.012 54.048 52.037 -0.000 0.000 0.627 397 A CB -0.512 18.480 19.000 -0.013 0.000 0.818 397 A HN 0.493 nan 8.150 nan 0.000 0.445 398 M N -1.286 118.315 119.600 0.002 0.000 2.132 398 M HA -0.061 4.419 4.480 0.001 0.000 0.263 398 M C 2.366 178.673 176.300 0.011 0.000 1.065 398 M CA 1.367 56.671 55.300 0.007 0.000 1.122 398 M CB -0.981 31.627 32.600 0.015 0.000 1.365 398 M HN 0.447 nan 8.290 nan 0.000 0.411 399 M N 0.103 119.713 119.600 0.017 0.000 2.117 399 M HA -0.176 4.304 4.480 0.001 0.000 0.262 399 M C 2.184 178.501 176.300 0.028 0.000 1.065 399 M CA 1.499 56.816 55.300 0.027 0.000 1.114 399 M CB -0.510 32.117 32.600 0.045 0.000 1.361 399 M HN 0.222 nan 8.290 nan 0.000 0.408 400 L N -0.996 120.240 121.223 0.023 0.000 2.156 400 L HA -0.147 4.194 4.340 0.001 0.000 0.208 400 L C 2.726 179.605 176.870 0.016 0.000 1.095 400 L CA 0.803 55.656 54.840 0.022 0.000 0.770 400 L CB -0.526 41.545 42.059 0.020 0.000 0.914 400 L HN 0.316 nan 8.230 nan 0.000 0.439 401 S N -0.207 115.500 115.700 0.010 0.000 2.382 401 S HA -0.153 4.318 4.470 0.001 0.000 0.228 401 S C 2.042 176.645 174.600 0.005 0.000 1.027 401 S CA 1.291 59.495 58.200 0.005 0.000 0.991 401 S CB 0.033 63.233 63.200 -0.000 0.000 0.823 401 S HN 0.448 nan 8.310 nan 0.000 0.469 402 A N 0.377 123.202 122.820 0.007 0.000 1.935 402 A HA 0.224 4.544 4.320 0.001 0.000 0.214 402 A C 0.940 178.534 177.584 0.017 0.000 1.178 402 A CA 0.493 52.533 52.037 0.006 0.000 0.640 402 A CB -0.026 18.975 19.000 0.001 0.000 0.825 402 A HN 0.624 nan 8.150 nan 0.000 0.447 403 E N -0.600 119.616 120.200 0.026 0.000 3.108 403 E HA 0.191 4.542 4.350 0.001 0.000 0.228 403 E C -2.286 174.333 176.600 0.032 0.000 1.176 403 E CA -1.721 54.700 56.400 0.036 0.000 0.881 403 E CB 1.223 30.956 29.700 0.054 0.000 1.354 403 E HN 0.198 nan 8.360 nan 0.000 0.400 404 P HA -0.178 nan 4.420 nan 0.000 0.221 404 P C 0.672 177.987 177.300 0.025 0.000 1.145 404 P CA 1.147 64.260 63.100 0.022 0.000 0.795 404 P CB 0.303 32.013 31.700 0.016 0.000 0.775 405 E N -1.119 119.098 120.200 0.029 0.000 2.489 405 E HA 0.065 4.416 4.350 0.001 0.000 0.193 405 E C 0.302 176.924 176.600 0.036 0.000 1.057 405 E CA -0.292 56.127 56.400 0.031 0.000 0.866 405 E CB -0.194 29.525 29.700 0.032 0.000 0.916 405 E HN 0.278 nan 8.360 nan 0.000 0.500 406 L N 2.495 123.743 121.223 0.040 0.000 2.578 406 L HA -0.030 4.311 4.340 0.001 0.000 0.279 406 L C 1.062 177.953 176.870 0.035 0.000 1.227 406 L CA 0.167 55.034 54.840 0.044 0.000 0.900 406 L CB -0.105 41.981 42.059 0.044 0.000 1.144 406 L HN 0.127 nan 8.230 nan 0.000 0.496 407 T N 0.037 114.613 114.554 0.037 0.000 2.849 407 T HA 0.158 4.509 4.350 0.001 0.000 0.284 407 T C 0.998 175.712 174.700 0.024 0.000 1.004 407 T CA -0.875 61.243 62.100 0.029 0.000 1.021 407 T CB 1.276 70.163 68.868 0.032 0.000 1.013 407 T HN 0.471 nan 8.240 nan 0.000 0.527 408 L N 1.640 122.874 121.223 0.018 0.000 2.013 408 L HA -0.018 4.322 4.340 0.001 0.000 0.212 408 L C 2.709 179.586 176.870 0.011 0.000 1.073 408 L CA 2.567 57.414 54.840 0.013 0.000 0.753 408 L CB -1.647 40.419 42.059 0.010 0.000 0.890 408 L HN 0.933 nan 8.230 nan 0.000 0.432 409 A N -1.007 121.823 122.820 0.017 0.000 1.933 409 A HA -0.215 4.106 4.320 0.001 0.000 0.218 409 A C 2.167 179.757 177.584 0.009 0.000 1.175 409 A CA 1.743 53.790 52.037 0.016 0.000 0.628 409 A CB -0.616 18.401 19.000 0.029 0.000 0.814 409 A HN 0.639 nan 8.150 nan 0.000 0.444 410 E N -0.864 119.350 120.200 0.023 0.000 2.106 410 E HA -0.143 4.208 4.350 0.001 0.000 0.192 410 E C 1.896 178.485 176.600 -0.018 0.000 0.984 410 E CA 1.057 57.471 56.400 0.024 0.000 0.806 410 E CB -0.184 29.552 29.700 0.061 0.000 0.750 410 E HN 0.516 nan 8.360 nan 0.000 0.458 411 L N 1.193 122.413 121.223 -0.004 0.000 2.109 411 L HA -0.108 4.232 4.340 0.001 0.000 0.207 411 L C 2.298 179.148 176.870 -0.034 0.000 1.086 411 L CA 1.655 56.491 54.840 -0.007 0.000 0.760 411 L CB -0.216 41.849 42.059 0.010 0.000 0.910 411 L HN -0.096 nan 8.230 nan 0.000 0.437 412 R N -1.177 119.302 120.500 -0.036 0.000 2.092 412 R HA -0.121 4.219 4.340 0.001 0.000 0.231 412 R C 2.128 178.372 176.300 -0.093 0.000 1.119 412 R CA 1.268 57.343 56.100 -0.043 0.000 0.970 412 R CB -0.129 30.158 30.300 -0.022 0.000 0.864 412 R HN 0.509 nan 8.270 nan 0.000 0.440 413 Q N 0.037 119.751 119.800 -0.143 0.000 2.167 413 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 413 Q C 2.065 177.751 176.000 -0.522 0.000 0.970 413 Q CA 1.240 56.879 55.803 -0.274 0.000 0.855 413 Q CB 0.017 28.601 28.738 -0.256 0.000 0.911 413 Q HN 0.386 nan 8.270 nan 0.000 0.438 414 R N 0.172 120.403 120.500 -0.448 0.000 2.062 414 R HA 0.014 4.354 4.340 0.001 0.000 0.229 414 R C 2.493 178.703 176.300 -0.149 0.000 1.128 414 R CA 0.596 56.430 56.100 -0.443 0.000 0.960 414 R CB -0.245 30.006 30.300 -0.082 0.000 0.855 414 R HN 0.150 nan 8.270 nan 0.000 0.432 415 L N 0.576 121.775 121.223 -0.040 0.000 2.013 415 L HA -0.263 4.078 4.340 0.001 0.000 0.212 415 L C 2.365 179.224 176.870 -0.018 0.000 1.073 415 L CA 1.530 56.382 54.840 0.020 0.000 0.753 415 L CB -0.481 41.582 42.059 0.006 0.000 0.890 415 L HN 0.226 nan 8.230 nan 0.000 0.432 416 I N -1.171 119.351 120.570 -0.079 0.000 2.179 416 I HA -0.339 3.831 4.170 0.001 0.000 0.242 416 I C 2.621 178.676 176.117 -0.104 0.000 1.088 416 I CA 1.494 62.754 61.300 -0.066 0.000 1.357 416 I CB -0.416 37.546 38.000 -0.063 0.000 1.051 416 I HN 0.306 nan 8.210 nan 0.000 0.409 417 H N 0.843 119.692 119.070 -0.368 0.000 2.353 417 H HA -0.151 4.407 4.556 0.004 0.000 0.300 417 H C 1.719 176.818 175.328 -0.381 0.000 1.090 417 H CA 1.856 57.621 56.048 -0.473 0.000 1.327 417 H CB -0.197 29.016 29.762 -0.915 0.000 1.383 417 H HN 0.273 nan 8.280 nan 0.000 0.508 418 F N -0.078 119.823 119.950 -0.082 0.000 2.797 418 F HA 0.164 4.690 4.527 -0.000 0.000 0.302 418 F C 1.170 176.924 175.800 -0.077 0.000 1.130 418 F CA -0.349 57.596 58.000 -0.092 0.000 1.387 418 F CB 0.256 39.251 39.000 -0.007 0.000 1.107 418 F HN -0.038 nan 8.300 nan 0.000 0.577 419 S N 0.671 116.402 115.700 0.051 0.000 2.585 419 S HA 0.486 4.956 4.470 0.001 0.000 0.273 419 S C 0.376 174.985 174.600 0.015 0.000 1.339 419 S CA -0.776 57.447 58.200 0.038 0.000 1.028 419 S CB 0.820 64.039 63.200 0.032 0.000 0.906 419 S HN 0.212 nan 8.310 nan 0.000 0.528 420 A N 3.460 126.294 122.820 0.023 0.000 2.401 420 A HA 0.409 4.730 4.320 0.001 0.000 0.259 420 A C 0.034 177.628 177.584 0.016 0.000 1.103 420 A CA -0.353 51.692 52.037 0.014 0.000 0.789 420 A CB 0.230 19.239 19.000 0.015 0.000 1.035 420 A HN 0.625 nan 8.150 nan 0.000 0.491 421 K N 1.709 122.114 120.400 0.010 0.000 2.182 421 K HA 0.301 4.622 4.320 0.001 0.000 0.262 421 K C -0.509 176.101 176.600 0.015 0.000 0.957 421 K CA -0.351 55.946 56.287 0.017 0.000 0.842 421 K CB 1.446 33.955 32.500 0.015 0.000 1.099 421 K HN 0.831 nan 8.250 nan 0.000 0.438 422 D N 0.574 120.986 120.400 0.020 0.000 2.981 422 D HA -0.154 4.487 4.640 0.001 0.000 0.223 422 D C 0.595 176.890 176.300 -0.008 0.000 1.151 422 D CA 1.052 55.061 54.000 0.014 0.000 0.827 422 D CB -0.797 40.016 40.800 0.022 0.000 1.101 422 D HN 0.375 nan 8.370 nan 0.000 0.426 423 V N -2.255 117.647 119.914 -0.021 0.000 3.354 423 V HA 0.294 4.414 4.120 0.001 0.000 0.258 423 V C 1.345 177.391 176.094 -0.081 0.000 1.159 423 V CA 0.201 62.476 62.300 -0.041 0.000 1.125 423 V CB -0.238 31.565 31.823 -0.034 0.000 0.774 423 V HN 0.284 nan 8.190 nan 0.000 0.464 424 I N 2.429 122.938 120.570 -0.102 0.000 2.474 424 I HA 0.186 4.357 4.170 0.001 0.000 0.287 424 I C 0.500 176.533 176.117 -0.141 0.000 1.048 424 I CA 0.105 61.297 61.300 -0.179 0.000 1.383 424 I CB 0.693 38.541 38.000 -0.254 0.000 1.412 424 I HN 0.246 nan 8.210 nan 0.000 0.531 425 N N 5.497 124.087 118.700 -0.183 0.000 2.415 425 N HA 0.054 4.794 4.740 0.001 0.000 0.246 425 N C 0.719 176.133 175.510 -0.159 0.000 1.078 425 N CA -0.336 52.637 53.050 -0.129 0.000 0.942 425 N CB 0.632 39.053 38.487 -0.110 0.000 1.140 425 N HN 0.592 nan 8.380 nan 0.000 0.501 426 E N 2.474 122.636 120.200 -0.062 0.000 2.333 426 E HA -0.182 4.169 4.350 0.001 0.000 0.198 426 E C 1.647 178.237 176.600 -0.018 0.000 1.007 426 E CA 0.535 56.950 56.400 0.026 0.000 0.845 426 E CB 0.063 29.838 29.700 0.125 0.000 0.766 426 E HN 0.734 nan 8.360 nan 0.000 0.507 427 A N 0.643 123.436 122.820 -0.045 0.000 2.070 427 A HA -0.182 4.138 4.320 0.001 0.000 0.220 427 A C 1.743 179.284 177.584 -0.072 0.000 1.159 427 A CA 0.820 52.833 52.037 -0.040 0.000 0.656 427 A CB -0.803 18.178 19.000 -0.033 0.000 0.800 427 A HN 0.523 nan 8.150 nan 0.000 0.453 428 W N -0.209 120.871 121.300 -0.366 0.000 2.363 428 W HA 0.019 4.676 4.660 -0.005 0.000 0.296 428 W C 0.108 176.372 176.519 -0.425 0.000 1.212 428 W CA 0.783 57.870 57.345 -0.430 0.000 1.260 428 W CB -0.136 28.960 29.460 -0.606 0.000 1.131 428 W HN 0.176 nan 8.180 nan 0.000 0.530 429 F N 2.686 122.660 119.950 0.041 0.000 2.410 429 F HA 0.206 4.733 4.527 -0.001 0.000 0.334 429 F C -1.152 174.438 175.800 -0.350 0.000 1.134 429 F CA -2.612 55.210 58.000 -0.296 0.000 1.227 429 F CB -0.480 38.347 39.000 -0.288 0.000 1.194 429 F HN -0.332 nan 8.300 nan 0.000 0.571 430 P HA -0.003 nan 4.420 nan 0.000 0.269 430 P C 0.051 177.301 177.300 -0.083 0.000 1.217 430 P CA 0.053 63.059 63.100 -0.156 0.000 0.783 430 P CB 0.690 32.312 31.700 -0.130 0.000 0.898 431 E N 0.757 120.933 120.200 -0.041 0.000 2.049 431 E HA -0.224 4.127 4.350 0.001 0.000 0.198 431 E C 1.145 177.742 176.600 -0.005 0.000 1.007 431 E CA 1.613 58.009 56.400 -0.008 0.000 0.809 431 E CB -0.290 29.417 29.700 0.013 0.000 0.749 431 E HN 0.506 nan 8.360 nan 0.000 0.450 432 D N 0.279 120.682 120.400 0.005 0.000 2.263 432 D HA -0.108 4.533 4.640 0.001 0.000 0.208 432 D C 1.666 177.927 176.300 -0.065 0.000 0.971 432 D CA 0.789 54.800 54.000 0.018 0.000 0.867 432 D CB -0.042 40.788 40.800 0.051 0.000 0.929 432 D HN 0.134 nan 8.370 nan 0.000 0.492 433 Q N -0.242 119.502 119.800 -0.093 0.000 2.360 433 Q HA 0.135 4.476 4.340 0.001 0.000 0.202 433 Q C 1.769 177.618 176.000 -0.251 0.000 0.915 433 Q CA 0.017 55.724 55.803 -0.161 0.000 0.943 433 Q CB 0.448 29.109 28.738 -0.129 0.000 1.064 433 Q HN 0.344 nan 8.270 nan 0.000 0.511 434 R N 0.306 120.704 120.500 -0.169 0.000 2.090 434 R HA -0.071 4.270 4.340 0.001 0.000 0.228 434 R C 2.358 178.517 176.300 -0.235 0.000 1.110 434 R CA 1.412 57.447 56.100 -0.109 0.000 0.973 434 R CB -0.230 30.068 30.300 -0.003 0.000 0.869 434 R HN 0.168 nan 8.270 nan 0.000 0.440 435 V N -1.376 118.302 119.914 -0.392 0.000 2.667 435 V HA -0.051 4.070 4.120 0.001 0.000 0.252 435 V C 1.804 177.306 176.094 -0.987 0.000 1.065 435 V CA 1.369 63.269 62.300 -0.666 0.000 1.083 435 V CB -0.520 30.729 31.823 -0.956 0.000 0.692 435 V HN 0.177 nan 8.190 nan 0.000 0.468 436 L N 0.388 121.056 121.223 -0.926 0.000 2.492 436 L HA 0.154 4.494 4.340 0.001 0.000 0.223 436 L C 0.884 177.429 176.870 -0.543 0.000 1.132 436 L CA 0.495 54.734 54.840 -1.003 0.000 0.850 436 L CB -0.407 41.229 42.059 -0.704 0.000 0.966 436 L HN 0.283 nan 8.230 nan 0.000 0.454 437 T N 1.614 115.933 114.554 -0.392 0.000 2.744 437 T HA 0.313 4.663 4.350 0.001 0.000 0.291 437 T C -2.332 172.319 174.700 -0.082 0.000 0.957 437 T CA -1.244 60.711 62.100 -0.241 0.000 1.002 437 T CB 1.286 69.874 68.868 -0.467 0.000 0.919 437 T HN -0.153 nan 8.240 nan 0.000 0.468 438 P HA 0.116 nan 4.420 nan 0.000 0.267 438 P C -0.077 177.334 177.300 0.184 0.000 1.209 438 P CA -0.342 62.816 63.100 0.097 0.000 0.763 438 P CB 0.335 32.094 31.700 0.098 0.000 0.816 439 N N 4.342 123.115 118.700 0.122 0.000 2.868 439 N HA 0.202 4.942 4.740 0.001 0.000 0.252 439 N C -1.268 174.300 175.510 0.098 0.000 1.130 439 N CA 0.081 53.192 53.050 0.101 0.000 1.026 439 N CB -0.529 37.998 38.487 0.067 0.000 1.335 439 N HN 0.353 nan 8.380 nan 0.000 0.516 440 L N 1.697 123.016 121.223 0.160 0.000 2.464 440 L HA 0.495 4.835 4.340 0.001 0.000 0.266 440 L C -0.808 176.166 176.870 0.175 0.000 0.965 440 L CA -0.971 53.951 54.840 0.136 0.000 0.833 440 L CB 2.390 44.524 42.059 0.125 0.000 1.296 440 L HN -0.139 nan 8.230 nan 0.000 0.405 441 V N 2.039 122.014 119.914 0.101 0.000 2.448 441 V HA 0.607 4.727 4.120 0.001 0.000 0.295 441 V C 0.497 176.628 176.094 0.061 0.000 1.025 441 V CA -0.669 61.690 62.300 0.099 0.000 0.859 441 V CB 1.710 33.568 31.823 0.059 0.000 0.988 441 V HN 0.873 nan 8.190 nan 0.000 0.431 442 A N 3.875 126.727 122.820 0.054 0.000 2.466 442 A HA 0.784 5.105 4.320 0.001 0.000 0.238 442 A C 0.386 177.976 177.584 0.011 0.000 1.074 442 A CA 0.588 52.646 52.037 0.034 0.000 0.774 442 A CB 0.373 19.388 19.000 0.026 0.000 1.015 442 A HN 1.799 nan 8.150 nan 0.000 0.498 443 A N 1.041 123.874 122.820 0.022 0.000 2.589 443 A HA 0.580 4.901 4.320 0.001 0.000 0.296 443 A C -0.612 176.964 177.584 -0.013 0.000 1.062 443 A CA -0.692 51.337 52.037 -0.014 0.000 0.686 443 A CB 0.421 19.417 19.000 -0.007 0.000 1.282 443 A HN 0.851 nan 8.150 nan 0.000 0.404 444 L N 2.471 123.636 121.223 -0.097 0.000 2.483 444 L HA 0.294 4.634 4.340 0.001 0.000 0.275 444 L C -1.685 175.084 176.870 -0.168 0.000 1.220 444 L CA -1.205 53.566 54.840 -0.115 0.000 0.833 444 L CB 0.407 42.352 42.059 -0.191 0.000 1.102 444 L HN 0.513 nan 8.230 nan 0.000 0.490 445 P HA 0.097 nan 4.420 nan 0.000 0.275 445 P C -2.239 174.880 177.300 -0.302 0.000 1.228 445 P CA -1.537 61.082 63.100 -0.801 0.000 0.786 445 P CB 0.304 31.350 31.700 -1.090 0.000 0.927 446 P HA -0.145 nan 4.420 nan 0.000 0.222 446 P C 0.651 177.925 177.300 -0.044 0.000 1.147 446 P CA 1.076 64.172 63.100 -0.007 0.000 0.790 446 P CB -0.063 31.644 31.700 0.012 0.000 0.780 453 W N 1.662 122.862 121.300 -0.167 0.000 2.218 453 W HA 0.593 5.255 4.660 0.003 0.000 0.326 453 W C 0.556 176.931 176.519 -0.240 0.000 1.276 453 W CA 0.107 57.343 57.345 -0.182 0.000 1.210 453 W CB 0.918 30.293 29.460 -0.142 0.000 1.143 453 W HN 0.799 nan 8.180 nan 0.000 0.563 454 Q N 4.339 123.374 119.800 -1.274 0.000 2.553 454 Q HA 0.554 4.895 4.340 0.001 0.000 0.293 454 Q C -2.052 172.733 176.000 -2.026 0.000 1.038 454 Q CA -1.305 53.733 55.803 -1.275 0.000 0.777 454 Q CB 1.692 29.929 28.738 -0.835 0.000 1.487 454 Q HN 0.529 nan 8.270 nan 0.000 0.426 455 L N 1.803 122.315 121.223 -1.185 0.000 2.255 455 L HA 0.489 4.830 4.340 0.001 0.000 0.289 455 L C -1.769 174.776 176.870 -0.542 0.000 1.046 455 L CA -0.168 54.206 54.840 -0.777 0.000 0.816 455 L CB 0.212 42.130 42.059 -0.236 0.000 1.197 455 L HN 0.541 nan 8.230 nan 0.000 0.427 456 F N 4.329 124.065 119.950 -0.356 0.000 2.415 456 F HA 0.535 5.062 4.527 -0.000 0.000 0.348 456 F C 0.389 176.124 175.800 -0.109 0.000 1.119 456 F CA -0.691 57.156 58.000 -0.256 0.000 1.069 456 F CB 1.011 39.837 39.000 -0.290 0.000 1.124 456 F HN 0.406 nan 8.300 nan 0.000 0.472 457 c N 3.441 122.126 118.600 0.142 0.000 2.779 457 c HA 0.885 5.455 4.570 0.001 0.000 0.314 457 c C -0.276 173.861 174.090 0.078 0.000 1.231 457 c CA -1.074 55.313 56.329 0.097 0.000 1.652 457 c CB 2.520 45.081 42.510 0.086 0.000 2.198 457 c HN 0.932 nan 8.230 nan 0.000 0.483 458 R N -0.024 120.513 120.500 0.062 0.000 2.808 458 R HA 0.775 5.115 4.340 0.001 0.000 0.272 458 R C -1.494 174.843 176.300 0.061 0.000 0.995 458 R CA -0.286 55.848 56.100 0.056 0.000 0.917 458 R CB 1.191 31.514 30.300 0.038 0.000 1.217 458 R HN 0.569 nan 8.270 nan 0.000 0.471 459 T N 1.536 116.138 114.554 0.080 0.000 2.767 459 T HA 0.353 4.704 4.350 0.001 0.000 0.284 459 T C -0.598 174.163 174.700 0.102 0.000 0.973 459 T CA -0.529 61.616 62.100 0.074 0.000 0.996 459 T CB 1.348 70.287 68.868 0.118 0.000 0.927 459 T HN 0.318 nan 8.240 nan 0.000 0.456 460 V N 4.167 124.105 119.914 0.041 0.000 2.357 460 V HA 0.370 4.491 4.120 0.001 0.000 0.284 460 V C -0.790 175.334 176.094 0.050 0.000 1.018 460 V CA -1.102 61.249 62.300 0.085 0.000 0.841 460 V CB 0.854 32.709 31.823 0.053 0.000 0.991 460 V HN 0.832 nan 8.190 nan 0.000 0.437 461 W N 3.249 124.559 121.300 0.016 0.000 2.365 461 W HA 0.550 5.209 4.660 -0.002 0.000 0.316 461 W C 1.008 177.576 176.519 0.081 0.000 1.164 461 W CA -0.118 57.246 57.345 0.032 0.000 1.204 461 W CB 1.424 30.858 29.460 -0.044 0.000 1.213 461 W HN 0.672 nan 8.180 nan 0.000 0.539 462 S N 2.271 118.165 115.700 0.323 0.000 2.614 462 S HA 0.719 5.189 4.470 0.001 0.000 0.265 462 S C 0.261 175.077 174.600 0.361 0.000 1.303 462 S CA -0.846 57.505 58.200 0.252 0.000 1.000 462 S CB 0.891 64.177 63.200 0.145 0.000 0.935 462 S HN 0.710 nan 8.310 nan 0.000 0.551 463 A N 1.699 124.656 122.820 0.229 0.000 2.520 463 A HA 0.147 4.467 4.320 0.001 0.000 0.235 463 A C 0.674 178.360 177.584 0.170 0.000 1.065 463 A CA -0.209 51.960 52.037 0.220 0.000 0.764 463 A CB -0.532 18.535 19.000 0.112 0.000 1.002 463 A HN 0.946 nan 8.150 nan 0.000 0.502 464 H N 1.878 120.945 119.070 -0.005 0.000 3.064 464 H HA -0.002 4.554 4.556 0.000 0.000 0.329 464 H C 1.626 176.821 175.328 -0.222 0.000 1.020 464 H CA 1.027 56.836 56.048 -0.399 0.000 1.402 464 H CB 0.871 30.396 29.762 -0.395 0.000 1.379 464 H HN 0.861 nan 8.280 nan 0.000 0.594 465 S N 3.362 118.719 115.700 -0.572 0.000 2.383 465 S HA 0.078 4.548 4.470 0.001 0.000 0.227 465 S C 1.100 175.579 174.600 -0.203 0.000 1.026 465 S CA 0.539 58.541 58.200 -0.330 0.000 0.981 465 S CB -0.064 62.920 63.200 -0.360 0.000 0.818 465 S HN 1.157 nan 8.310 nan 0.000 0.472 466 G N 1.065 109.748 108.800 -0.196 0.000 2.612 466 G HA2 0.021 3.982 3.960 0.001 0.000 0.686 466 G HA3 0.021 3.982 3.960 0.001 0.000 0.686 466 G C -2.811 172.057 174.900 -0.053 0.000 1.274 466 G CA -0.421 44.676 45.100 -0.004 0.000 0.849 466 G HN 0.200 nan 8.290 nan 0.000 0.595 467 P HA 0.115 nan 4.420 nan 0.000 0.240 467 P C 1.443 178.732 177.300 -0.020 0.000 1.190 467 P CA 1.254 64.350 63.100 -0.007 0.000 0.781 467 P CB -0.125 31.585 31.700 0.017 0.000 0.931 468 T N -2.331 112.207 114.554 -0.027 0.000 2.908 468 T HA -0.002 4.349 4.350 0.001 0.000 0.325 468 T C 1.329 176.014 174.700 -0.025 0.000 1.092 468 T CA -0.261 61.829 62.100 -0.017 0.000 1.125 468 T CB 0.920 69.774 68.868 -0.022 0.000 1.016 468 T HN -0.006 nan 8.240 nan 0.000 0.550 469 R N 1.004 121.516 120.500 0.020 0.000 2.081 469 R HA -0.002 4.339 4.340 0.001 0.000 0.235 469 R C 1.321 177.584 176.300 -0.061 0.000 1.131 469 R CA 1.075 57.212 56.100 0.061 0.000 0.960 469 R CB -0.088 30.331 30.300 0.199 0.000 0.856 469 R HN 0.577 nan 8.270 nan 0.000 0.436 470 M N 0.695 120.280 119.600 -0.025 0.000 2.738 470 M HA 0.253 4.733 4.480 0.001 0.000 0.295 470 M C -0.337 175.919 176.300 -0.073 0.000 1.266 470 M CA -0.412 54.855 55.300 -0.054 0.000 0.985 470 M CB 0.352 32.963 32.600 0.018 0.000 1.365 470 M HN 0.028 nan 8.290 nan 0.000 0.492 471 A N 1.573 124.328 122.820 -0.108 0.000 2.477 471 A HA 0.436 4.756 4.320 0.001 0.000 0.246 471 A C 0.632 178.117 177.584 -0.165 0.000 1.078 471 A CA 0.137 52.099 52.037 -0.125 0.000 0.770 471 A CB -0.114 18.803 19.000 -0.139 0.000 1.011 471 A HN 0.529 nan 8.150 nan 0.000 0.494 472 T N -0.505 113.942 114.554 -0.178 0.000 2.886 472 T HA 0.724 5.074 4.350 0.001 0.000 0.292 472 T C -0.418 174.149 174.700 -0.221 0.000 1.012 472 T CA -0.025 61.917 62.100 -0.263 0.000 0.982 472 T CB 1.601 70.282 68.868 -0.311 0.000 1.018 472 T HN 1.520 nan 8.240 nan 0.000 0.451 473 A N 2.511 125.188 122.820 -0.239 0.000 2.306 473 A HA 0.783 5.104 4.320 0.001 0.000 0.314 473 A C -0.355 177.142 177.584 -0.145 0.000 1.164 473 A CA -0.759 51.179 52.037 -0.165 0.000 0.822 473 A CB 0.886 19.794 19.000 -0.153 0.000 1.130 473 A HN 0.928 nan 8.150 nan 0.000 0.496 474 V N 1.215 121.077 119.914 -0.087 0.000 2.540 474 V HA 0.691 4.812 4.120 0.001 0.000 0.302 474 V C 0.224 176.302 176.094 -0.027 0.000 1.035 474 V CA -0.320 61.935 62.300 -0.075 0.000 0.873 474 V CB 1.530 33.312 31.823 -0.069 0.000 0.992 474 V HN 1.212 nan 8.190 nan 0.000 0.428 475 A N 5.599 128.400 122.820 -0.031 0.000 2.304 475 A HA 0.833 5.153 4.320 0.001 0.000 0.314 475 A C -0.227 177.351 177.584 -0.010 0.000 1.187 475 A CA -0.695 51.339 52.037 -0.005 0.000 0.810 475 A CB 0.837 19.827 19.000 -0.015 0.000 1.183 475 A HN 0.830 nan 8.150 nan 0.000 0.487 476 R N 1.113 121.617 120.500 0.007 0.000 2.664 476 R HA 0.572 4.913 4.340 0.001 0.000 0.286 476 R C -0.820 175.489 176.300 0.016 0.000 0.967 476 R CA -0.534 55.570 56.100 0.006 0.000 0.933 476 R CB 1.652 31.957 30.300 0.008 0.000 1.146 476 R HN 0.752 nan 8.270 nan 0.000 0.468 477 c N 1.140 119.749 118.600 0.015 0.000 2.347 477 c HA 0.590 5.161 4.570 0.001 0.000 0.366 477 c C 1.104 175.207 174.090 0.023 0.000 1.241 477 c CA -0.646 55.697 56.329 0.023 0.000 2.360 477 c CB 0.950 43.476 42.510 0.025 0.000 2.290 477 c HN 0.871 nan 8.230 nan 0.000 0.587 478 A N 1.773 124.609 122.820 0.027 0.000 2.406 478 A HA 0.378 4.699 4.320 0.001 0.000 0.243 478 A C -1.376 176.224 177.584 0.025 0.000 1.082 478 A CA -0.521 51.531 52.037 0.025 0.000 0.786 478 A CB -0.516 18.500 19.000 0.027 0.000 1.029 478 A HN 0.736 nan 8.150 nan 0.000 0.495 479 P HA -0.123 nan 4.420 nan 0.000 0.218 479 P C 0.389 177.704 177.300 0.026 0.000 1.148 479 P CA 1.590 64.703 63.100 0.021 0.000 0.822 479 P CB 0.039 31.750 31.700 0.018 0.000 0.784 480 D N -1.550 118.869 120.400 0.032 0.000 2.342 480 D HA 0.025 4.666 4.640 0.001 0.000 0.221 480 D C 0.228 176.558 176.300 0.051 0.000 1.101 480 D CA 0.126 54.150 54.000 0.039 0.000 0.837 480 D CB -0.190 40.635 40.800 0.042 0.000 0.938 480 D HN 0.215 nan 8.370 nan 0.000 0.508 481 E N 0.377 120.605 120.200 0.047 0.000 2.227 481 E HA 0.304 4.655 4.350 0.001 0.000 0.268 481 E C -0.194 176.435 176.600 0.048 0.000 0.990 481 E CA -0.783 55.650 56.400 0.055 0.000 0.856 481 E CB 1.461 31.192 29.700 0.051 0.000 1.159 481 E HN 0.005 nan 8.360 nan 0.000 0.401 482 E N 1.233 121.466 120.200 0.055 0.000 2.191 482 E HA 0.222 4.572 4.350 0.001 0.000 0.274 482 E C -0.894 175.733 176.600 0.045 0.000 0.948 482 E CA -0.911 55.518 56.400 0.048 0.000 0.802 482 E CB 1.808 31.539 29.700 0.052 0.000 1.137 482 E HN 0.204 nan 8.360 nan 0.000 0.397 483 L N 3.716 124.961 121.223 0.037 0.000 2.283 483 L HA 0.157 4.498 4.340 0.001 0.000 0.287 483 L C 0.275 177.168 176.870 0.038 0.000 1.073 483 L CA 0.365 55.223 54.840 0.031 0.000 0.822 483 L CB 0.034 42.103 42.059 0.017 0.000 1.186 483 L HN 0.560 nan 8.230 nan 0.000 0.436 484 L N 3.450 124.698 121.223 0.042 0.000 2.556 484 L HA 0.299 4.639 4.340 0.001 0.000 0.226 484 L C 0.484 177.383 176.870 0.047 0.000 1.089 484 L CA 0.441 55.311 54.840 0.050 0.000 0.864 484 L CB -0.114 41.981 42.059 0.060 0.000 1.067 484 L HN 0.835 nan 8.230 nan 0.000 0.477 485 S N -1.873 113.848 115.700 0.036 0.000 2.636 485 S HA 0.436 4.907 4.470 0.001 0.000 0.268 485 S C -1.339 173.267 174.600 0.010 0.000 1.159 485 S CA -0.932 57.288 58.200 0.033 0.000 0.815 485 S CB 2.285 65.508 63.200 0.039 0.000 1.130 485 S HN 0.005 nan 8.310 nan 0.000 0.471 486 c N 2.511 121.116 118.600 0.009 0.000 2.705 486 c HA 0.855 5.425 4.570 0.001 0.000 0.369 486 c C -0.225 173.862 174.090 -0.004 0.000 1.069 486 c CA 0.590 56.908 56.329 -0.017 0.000 1.260 486 c CB 0.288 42.782 42.510 -0.028 0.000 1.764 486 c HN 1.464 nan 8.230 nan 0.000 0.469 487 S N 3.983 119.665 115.700 -0.030 0.000 2.745 487 S HA 0.989 5.459 4.470 0.001 0.000 0.306 487 S C -0.464 174.129 174.600 -0.012 0.000 1.137 487 S CA -0.125 58.077 58.200 0.002 0.000 0.900 487 S CB 1.814 65.021 63.200 0.012 0.000 1.176 487 S HN 1.829 nan 8.310 nan 0.000 0.520 488 S N -0.145 115.592 115.700 0.062 0.000 2.607 488 S HA 0.842 5.313 4.470 0.001 0.000 0.273 488 S C -1.448 173.324 174.600 0.285 0.000 1.148 488 S CA -0.774 57.486 58.200 0.101 0.000 0.833 488 S CB 1.389 64.613 63.200 0.041 0.000 1.130 488 S HN 1.289 nan 8.310 nan 0.000 0.470 489 F N 0.694 120.749 119.950 0.174 0.000 2.608 489 F HA 0.778 5.308 4.527 0.006 0.000 0.309 489 F C -0.983 175.023 175.800 0.344 0.000 1.103 489 F CA -0.199 57.984 58.000 0.305 0.000 0.954 489 F CB 2.064 41.330 39.000 0.443 0.000 1.267 489 F HN 0.883 nan 8.300 nan 0.000 0.444 490 S N 4.856 120.184 115.700 -0.620 0.000 2.547 490 S HA 0.491 4.962 4.470 0.001 0.000 0.281 490 S C 0.492 174.589 174.600 -0.838 0.000 1.118 490 S CA -0.744 57.115 58.200 -0.569 0.000 0.947 490 S CB 1.644 64.732 63.200 -0.186 0.000 1.053 490 S HN 0.862 nan 8.310 nan 0.000 0.482 491 R N 1.613 121.801 120.500 -0.519 0.000 2.092 491 R HA -0.047 4.294 4.340 0.001 0.000 0.231 491 R C 2.259 178.527 176.300 -0.054 0.000 1.119 491 R CA 1.755 57.735 56.100 -0.199 0.000 0.970 491 R CB -0.412 29.903 30.300 0.024 0.000 0.864 491 R HN 0.771 nan 8.270 nan 0.000 0.440 492 S N -0.931 114.742 115.700 -0.044 0.000 2.414 492 S HA 0.062 4.533 4.470 0.001 0.000 0.227 492 S C 1.656 176.266 174.600 0.016 0.000 1.022 492 S CA 0.748 58.950 58.200 0.003 0.000 0.958 492 S CB 0.333 63.539 63.200 0.011 0.000 0.797 492 S HN 0.524 nan 8.310 nan 0.000 0.493 493 G N 1.074 109.871 108.800 -0.005 0.000 2.176 493 G HA2 -0.233 3.727 3.960 0.001 0.000 0.232 493 G HA3 -0.233 3.727 3.960 0.001 0.000 0.232 493 G C -0.077 174.878 174.900 0.092 0.000 0.986 493 G CA 0.015 45.150 45.100 0.058 0.000 0.643 493 G HN 0.564 nan 8.290 nan 0.000 0.522 494 K N 1.509 121.946 120.400 0.061 0.000 2.228 494 K HA 0.424 4.745 4.320 0.001 0.000 0.284 494 K C 0.707 177.343 176.600 0.059 0.000 1.088 494 K CA 0.047 56.383 56.287 0.082 0.000 0.941 494 K CB 0.166 32.702 32.500 0.059 0.000 1.158 494 K HN 0.720 nan 8.250 nan 0.000 0.438 495 R N 0.701 121.272 120.500 0.119 0.000 2.739 495 R HA 0.405 4.746 4.340 0.001 0.000 0.271 495 R C -0.395 175.906 176.300 0.002 0.000 1.010 495 R CA -1.118 55.000 56.100 0.031 0.000 0.897 495 R CB 1.174 31.491 30.300 0.028 0.000 1.236 495 R HN 0.270 nan 8.270 nan 0.000 0.466 496 R N 0.641 120.932 120.500 -0.349 0.000 2.586 496 R HA 0.266 4.607 4.340 0.001 0.000 0.336 496 R C 0.160 175.626 176.300 -1.391 0.000 1.060 496 R CA 0.419 55.914 56.100 -1.009 0.000 1.079 496 R CB 1.194 31.148 30.300 -0.578 0.000 1.317 496 R HN 0.999 nan 8.270 nan 0.000 0.568 497 G N 2.036 110.271 108.800 -0.943 0.000 2.568 497 G HA2 -0.244 3.717 3.960 0.001 0.000 0.222 497 G HA3 -0.244 3.717 3.960 0.001 0.000 0.222 497 G C -0.986 173.801 174.900 -0.189 0.000 1.321 497 G CA -0.160 44.577 45.100 -0.606 0.000 0.893 497 G HN 0.275 nan 8.290 nan 0.000 0.569 498 E N -0.068 120.111 120.200 -0.034 0.000 2.412 498 E HA 0.667 5.018 4.350 0.001 0.000 0.279 498 E C -0.340 176.248 176.600 -0.020 0.000 0.984 498 E CA -0.748 55.632 56.400 -0.033 0.000 0.788 498 E CB 1.766 31.436 29.700 -0.049 0.000 1.277 498 E HN 1.422 nan 8.360 nan 0.000 0.455 499 R N 1.302 121.693 120.500 -0.182 0.000 2.771 499 R HA 0.644 4.985 4.340 0.001 0.000 0.274 499 R C -0.733 175.383 176.300 -0.306 0.000 0.987 499 R CA -1.001 54.846 56.100 -0.421 0.000 0.908 499 R CB 1.452 31.383 30.300 -0.615 0.000 1.213 499 R HN 0.502 nan 8.270 nan 0.000 0.468 500 M N 2.072 121.485 119.600 -0.312 0.000 2.157 500 M HA 0.346 4.826 4.480 0.001 0.000 0.354 500 M C -0.618 175.599 176.300 -0.137 0.000 1.170 500 M CA 0.050 55.258 55.300 -0.153 0.000 1.060 500 M CB 1.661 34.225 32.600 -0.059 0.000 1.615 500 M HN 0.575 nan 8.290 nan 0.000 0.460 501 E N 1.185 121.326 120.200 -0.098 0.000 2.416 501 E HA 0.729 5.079 4.350 0.001 0.000 0.273 501 E C -1.297 175.281 176.600 -0.036 0.000 0.935 501 E CA -0.980 55.380 56.400 -0.066 0.000 0.784 501 E CB 2.451 32.101 29.700 -0.083 0.000 1.301 501 E HN 0.710 nan 8.360 nan 0.000 0.454 502 A N 1.649 124.458 122.820 -0.019 0.000 2.301 502 A HA 0.461 4.782 4.320 0.001 0.000 0.312 502 A C -0.752 176.825 177.584 -0.012 0.000 1.182 502 A CA -0.379 51.653 52.037 -0.009 0.000 0.826 502 A CB 0.677 19.679 19.000 0.003 0.000 1.134 502 A HN 0.486 nan 8.150 nan 0.000 0.501 503 Q N 0.820 120.614 119.800 -0.010 0.000 2.274 503 Q HA 0.485 4.826 4.340 0.001 0.000 0.268 503 Q C 0.507 176.505 176.000 -0.004 0.000 1.015 503 Q CA -0.134 55.663 55.803 -0.010 0.000 0.775 503 Q CB 1.957 30.686 28.738 -0.016 0.000 1.256 503 Q HN 1.721 nan 8.270 nan 0.000 0.442 504 G N 1.433 110.232 108.800 -0.001 0.000 2.175 504 G HA2 -0.313 3.648 3.960 0.001 0.000 0.265 504 G HA3 -0.313 3.648 3.960 0.001 0.000 0.265 504 G C 0.747 175.649 174.900 0.005 0.000 0.979 504 G CA 0.566 45.667 45.100 0.002 0.000 0.663 504 G HN 1.471 nan 8.290 nan 0.000 0.533 505 G N -1.926 106.878 108.800 0.005 0.000 2.157 505 G HA2 -0.108 3.853 3.960 0.001 0.000 0.239 505 G HA3 -0.108 3.853 3.960 0.001 0.000 0.239 505 G C 0.078 174.985 174.900 0.011 0.000 0.982 505 G CA 1.048 46.154 45.100 0.009 0.000 0.650 505 G HN 1.107 nan 8.290 nan 0.000 0.527 506 K N 0.215 120.620 120.400 0.008 0.000 2.292 506 K HA 0.726 5.046 4.320 0.001 0.000 0.257 506 K C 0.609 177.212 176.600 0.004 0.000 0.940 506 K CA -0.639 55.654 56.287 0.009 0.000 0.811 506 K CB 1.260 33.766 32.500 0.009 0.000 1.120 506 K HN 0.188 nan 8.250 nan 0.000 0.428 507 L N 3.468 124.696 121.223 0.008 0.000 2.453 507 L HA 0.280 4.620 4.340 0.001 0.000 0.272 507 L C 0.283 177.147 176.870 -0.009 0.000 1.182 507 L CA -0.355 54.485 54.840 0.000 0.000 0.858 507 L CB 0.313 42.379 42.059 0.011 0.000 1.120 507 L HN 0.407 nan 8.230 nan 0.000 0.474 508 V N 0.394 120.292 119.914 -0.027 0.000 3.126 508 V HA 0.539 4.660 4.120 0.001 0.000 0.314 508 V C -0.692 175.367 176.094 -0.059 0.000 1.138 508 V CA -1.108 61.170 62.300 -0.037 0.000 1.034 508 V CB 1.903 33.701 31.823 -0.042 0.000 1.075 508 V HN 0.883 nan 8.190 nan 0.000 0.442 509 c N 2.446 121.007 118.600 -0.065 0.000 2.281 509 c HA 0.819 5.390 4.570 0.001 0.000 0.325 509 c C -0.015 174.001 174.090 -0.123 0.000 1.282 509 c CA -0.275 56.002 56.329 -0.088 0.000 1.640 509 c CB 0.018 42.486 42.510 -0.070 0.000 2.288 509 c HN 1.100 nan 8.230 nan 0.000 0.507 510 R N 4.357 124.752 120.500 -0.176 0.000 2.476 510 R HA 0.704 5.045 4.340 0.001 0.000 0.305 510 R C -0.800 175.284 176.300 -0.360 0.000 0.965 510 R CA -0.091 55.851 56.100 -0.263 0.000 0.867 510 R CB 1.435 31.565 30.300 -0.284 0.000 1.176 510 R HN 0.891 nan 8.270 nan 0.000 0.447 511 A N 3.775 126.368 122.820 -0.377 0.000 2.340 511 A HA 0.520 4.840 4.320 0.001 0.000 0.331 511 A C -1.193 176.084 177.584 -0.512 0.000 1.140 511 A CA -0.671 51.156 52.037 -0.351 0.000 0.801 511 A CB 0.942 19.829 19.000 -0.187 0.000 1.234 511 A HN 0.783 nan 8.150 nan 0.000 0.469 512 H N 1.778 120.702 119.070 -0.243 0.000 2.481 512 H HA 0.246 4.803 4.556 0.001 0.000 0.333 512 H C -0.525 174.625 175.328 -0.295 0.000 1.066 512 H CA -0.533 55.349 56.048 -0.277 0.000 1.209 512 H CB 1.626 31.208 29.762 -0.300 0.000 1.445 512 H HN 0.772 nan 8.280 nan 0.000 0.488 513 N N 1.189 119.773 118.700 -0.193 0.000 2.525 513 N HA 0.168 4.908 4.740 0.001 0.000 0.271 513 N C -0.478 174.878 175.510 -0.257 0.000 1.194 513 N CA -0.365 52.557 53.050 -0.212 0.000 0.964 513 N CB 0.877 39.235 38.487 -0.215 0.000 1.126 513 N HN 0.714 nan 8.380 nan 0.000 0.452 514 A N 2.681 125.404 122.820 -0.162 0.000 2.440 514 A HA 0.233 4.553 4.320 0.001 0.000 0.251 514 A C 0.819 178.345 177.584 -0.096 0.000 1.089 514 A CA -0.328 51.645 52.037 -0.106 0.000 0.779 514 A CB -0.400 18.631 19.000 0.051 0.000 1.022 514 A HN 0.770 nan 8.150 nan 0.000 0.492 515 F N 2.137 122.099 119.950 0.020 0.000 2.147 515 F HA -0.147 4.381 4.527 0.001 0.000 0.301 515 F C 2.267 178.075 175.800 0.012 0.000 1.084 515 F CA 2.147 60.155 58.000 0.014 0.000 1.268 515 F CB -0.231 38.780 39.000 0.018 0.000 1.009 515 F HN 0.619 nan 8.300 nan 0.000 0.486 516 G N -0.685 108.233 108.800 0.195 0.000 3.434 516 G HA2 0.402 4.363 3.960 0.001 0.000 0.258 516 G HA3 0.402 4.363 3.960 0.001 0.000 0.258 516 G C 0.639 175.580 174.900 0.067 0.000 1.128 516 G CA 0.290 45.459 45.100 0.115 0.000 0.792 516 G HN 0.468 nan 8.290 nan 0.000 0.539 517 G N -0.245 108.581 108.800 0.043 0.000 2.511 517 G HA2 0.471 4.432 3.960 0.001 0.000 0.316 517 G HA3 0.471 4.432 3.960 0.001 0.000 0.316 517 G C 0.351 175.255 174.900 0.007 0.000 1.210 517 G CA -0.389 44.721 45.100 0.017 0.000 0.969 517 G HN 0.120 nan 8.290 nan 0.000 0.492 518 E N -0.869 119.342 120.200 0.017 0.000 2.385 518 E HA 0.380 4.731 4.350 0.001 0.000 0.194 518 E C 1.052 177.704 176.600 0.086 0.000 1.013 518 E CA 0.914 57.347 56.400 0.055 0.000 0.866 518 E CB 0.508 30.251 29.700 0.072 0.000 0.832 518 E HN 0.966 nan 8.360 nan 0.000 0.500 519 G N -0.618 108.142 108.800 -0.066 0.000 2.334 519 G HA2 0.273 4.233 3.960 0.001 0.000 0.566 519 G HA3 0.273 4.233 3.960 0.001 0.000 0.566 519 G C -1.053 173.535 174.900 -0.520 0.000 1.413 519 G CA -0.624 44.241 45.100 -0.392 0.000 0.993 519 G HN 0.500 nan 8.290 nan 0.000 0.642 520 V N -2.171 117.349 119.914 -0.658 0.000 3.102 520 V HA 0.909 5.029 4.120 0.001 0.000 0.312 520 V C -0.766 175.042 176.094 -0.478 0.000 1.135 520 V CA -1.651 60.399 62.300 -0.416 0.000 1.022 520 V CB 1.716 33.412 31.823 -0.212 0.000 1.056 520 V HN 1.044 nan 8.190 nan 0.000 0.436 521 Y N 0.980 121.295 120.300 0.026 0.000 2.361 521 Y HA 0.803 5.355 4.550 0.004 0.000 0.332 521 Y C 0.701 176.606 175.900 0.007 0.000 1.101 521 Y CA -0.048 58.129 58.100 0.128 0.000 1.137 521 Y CB 1.876 40.620 38.460 0.473 0.000 1.207 521 Y HN 1.041 nan 8.280 nan 0.000 0.463 522 A N 4.076 126.957 122.820 0.102 0.000 2.306 522 A HA 0.773 5.094 4.320 0.001 0.000 0.314 522 A C -0.823 176.706 177.584 -0.091 0.000 1.164 522 A CA -0.537 51.485 52.037 -0.024 0.000 0.822 522 A CB 0.101 19.060 19.000 -0.068 0.000 1.130 522 A HN 0.763 nan 8.150 nan 0.000 0.496 523 I N 1.942 122.391 120.570 -0.202 0.000 2.468 523 I HA 0.484 4.655 4.170 0.001 0.000 0.284 523 I C 0.366 176.356 176.117 -0.213 0.000 1.038 523 I CA -0.144 60.927 61.300 -0.383 0.000 1.083 523 I CB 1.823 39.405 38.000 -0.697 0.000 1.223 523 I HN 0.689 nan 8.210 nan 0.000 0.443 524 A N 5.349 128.080 122.820 -0.148 0.000 2.303 524 A HA 0.827 5.148 4.320 0.001 0.000 0.317 524 A C -0.297 177.260 177.584 -0.046 0.000 1.149 524 A CA -0.559 51.436 52.037 -0.070 0.000 0.822 524 A CB 1.017 19.996 19.000 -0.035 0.000 1.131 524 A HN 0.667 nan 8.150 nan 0.000 0.493 525 R N 1.143 121.635 120.500 -0.014 0.000 2.288 525 R HA 0.523 4.863 4.340 0.001 0.000 0.326 525 R C -1.701 174.617 176.300 0.029 0.000 0.959 525 R CA -0.015 56.094 56.100 0.014 0.000 0.834 525 R CB 0.309 30.624 30.300 0.025 0.000 1.157 525 R HN 0.694 nan 8.270 nan 0.000 0.470 526 c N 4.341 122.963 118.600 0.037 0.000 2.322 526 c HA 0.676 5.247 4.570 0.001 0.000 0.324 526 c C -0.365 173.761 174.090 0.059 0.000 1.284 526 c CA -0.658 55.697 56.329 0.044 0.000 1.606 526 c CB 0.100 42.633 42.510 0.038 0.000 2.251 526 c HN 0.835 nan 8.230 nan 0.000 0.502 527 c N 2.856 121.498 118.600 0.070 0.000 2.889 527 c HA 0.615 5.186 4.570 0.001 0.000 0.307 527 c C -0.416 173.739 174.090 0.108 0.000 1.251 527 c CA -0.848 55.535 56.329 0.091 0.000 1.593 527 c CB 0.940 43.506 42.510 0.093 0.000 2.104 527 c HN 0.789 nan 8.230 nan 0.000 0.476 528 L N 2.397 123.703 121.223 0.138 0.000 2.268 528 L HA 0.504 4.845 4.340 0.001 0.000 0.289 528 L C -0.583 176.452 176.870 0.274 0.000 1.064 528 L CA -0.020 54.925 54.840 0.176 0.000 0.824 528 L CB 0.414 42.589 42.059 0.193 0.000 1.202 528 L HN 0.432 nan 8.230 nan 0.000 0.433 529 L N 7.342 128.695 121.223 0.217 0.000 2.489 529 L HA 0.420 4.761 4.340 0.001 0.000 0.257 529 L C -1.691 175.211 176.870 0.055 0.000 1.215 529 L CA -1.050 53.908 54.840 0.197 0.000 0.915 529 L CB 1.129 43.264 42.059 0.128 0.000 1.146 529 L HN 0.140 nan 8.230 nan 0.000 0.494 530 P HA -0.171 nan 4.420 nan 0.000 0.213 530 P C 0.078 177.312 177.300 -0.109 0.000 1.170 530 P CA 1.056 64.135 63.100 -0.035 0.000 0.893 530 P CB 0.227 31.904 31.700 -0.038 0.000 0.784 531 Q N 0.390 120.061 119.800 -0.216 0.000 3.151 531 Q HA 0.384 4.724 4.340 0.001 0.000 0.277 531 Q C -0.246 175.621 176.000 -0.223 0.000 1.343 531 Q CA -0.228 55.433 55.803 -0.236 0.000 0.925 531 Q CB -0.526 28.017 28.738 -0.324 0.000 1.771 531 Q HN 0.191 nan 8.270 nan 0.000 0.514 532 A N 2.014 124.749 122.820 -0.141 0.000 2.359 532 A HA 0.533 4.854 4.320 0.001 0.000 0.303 532 A C -0.825 176.724 177.584 -0.059 0.000 1.066 532 A CA -0.891 51.082 52.037 -0.107 0.000 0.730 532 A CB 0.985 19.955 19.000 -0.050 0.000 1.211 532 A HN 0.293 nan 8.150 nan 0.000 0.439 533 N N 1.368 120.040 118.700 -0.046 0.000 2.518 533 N HA 0.449 5.189 4.740 0.001 0.000 0.254 533 N C -1.028 174.522 175.510 0.067 0.000 0.979 533 N CA 0.011 53.079 53.050 0.030 0.000 0.930 533 N CB 1.284 39.818 38.487 0.079 0.000 1.152 533 N HN 0.621 nan 8.380 nan 0.000 0.505 534 c N 0.704 119.347 118.600 0.072 0.000 2.505 534 c HA 0.887 5.458 4.570 0.001 0.000 0.358 534 c C 0.429 174.590 174.090 0.119 0.000 1.226 534 c CA -0.503 55.884 56.329 0.097 0.000 1.900 534 c CB 1.144 43.696 42.510 0.070 0.000 2.306 534 c HN 0.832 nan 8.230 nan 0.000 0.512 535 S N -0.706 115.081 115.700 0.145 0.000 2.615 535 S HA 0.709 5.180 4.470 0.001 0.000 0.268 535 S C -1.700 173.022 174.600 0.204 0.000 1.146 535 S CA -0.656 57.639 58.200 0.159 0.000 0.818 535 S CB 0.578 63.886 63.200 0.180 0.000 1.111 535 S HN 0.568 nan 8.310 nan 0.000 0.465 536 V N 1.818 121.857 119.914 0.208 0.000 2.581 536 V HA 0.534 4.655 4.120 0.001 0.000 0.303 536 V C -0.687 175.610 176.094 0.339 0.000 1.041 536 V CA -0.511 61.936 62.300 0.245 0.000 0.907 536 V CB 1.476 33.393 31.823 0.157 0.000 0.994 536 V HN 0.944 nan 8.190 nan 0.000 0.442 537 H N 1.954 121.078 119.070 0.090 0.000 2.505 537 H HA 0.533 5.090 4.556 0.001 0.000 0.338 537 H C -0.766 174.623 175.328 0.100 0.000 1.057 537 H CA -0.535 55.560 56.048 0.078 0.000 1.202 537 H CB 2.093 31.880 29.762 0.042 0.000 1.466 537 H HN 0.561 nan 8.280 nan 0.000 0.499 538 T N 2.175 116.837 114.554 0.180 0.000 2.841 538 T HA 0.550 4.901 4.350 0.001 0.000 0.283 538 T C -0.517 174.206 174.700 0.038 0.000 1.000 538 T CA -0.688 61.482 62.100 0.116 0.000 0.977 538 T CB 1.616 70.619 68.868 0.225 0.000 0.979 538 T HN 0.698 nan 8.240 nan 0.000 0.446 539 A N 4.700 127.502 122.820 -0.029 0.000 2.355 539 A HA 0.884 5.205 4.320 0.001 0.000 0.317 539 A C -2.692 174.863 177.584 -0.048 0.000 1.094 539 A CA -1.955 50.071 52.037 -0.018 0.000 0.764 539 A CB 1.008 20.007 19.000 -0.002 0.000 1.230 539 A HN 0.527 nan 8.150 nan 0.000 0.448 540 P HA 0.333 nan 4.420 nan 0.000 0.275 540 P C -2.750 174.540 177.300 -0.017 0.000 1.266 540 P CA -1.462 61.631 63.100 -0.012 0.000 0.793 540 P CB -0.593 31.114 31.700 0.012 0.000 1.074 541 P HA -0.002 nan 4.420 nan 0.000 0.265 541 P C 0.414 177.715 177.300 0.001 0.000 1.193 541 P CA 0.492 63.593 63.100 0.001 0.000 0.765 541 P CB 0.058 31.768 31.700 0.016 0.000 0.823 542 A N 2.894 125.712 122.820 -0.003 0.000 1.935 542 A HA 0.014 4.335 4.320 0.001 0.000 0.214 542 A C 0.397 177.975 177.584 -0.009 0.000 1.178 542 A CA 0.563 52.596 52.037 -0.008 0.000 0.640 542 A CB -0.962 18.029 19.000 -0.015 0.000 0.825 542 A HN 0.607 nan 8.150 nan 0.000 0.447 543 E N -2.811 117.382 120.200 -0.011 0.000 6.936 543 E HA -0.065 4.285 4.350 0.001 0.000 0.409 543 E C 0.291 176.880 176.600 -0.017 0.000 0.654 543 E CA 0.606 57.001 56.400 -0.009 0.000 0.939 543 E CB -0.770 28.933 29.700 0.005 0.000 0.900 543 E HN 1.933 nan 8.360 nan 0.000 0.312 544 A N 1.326 124.130 122.820 -0.027 0.000 2.905 544 A HA -0.222 4.099 4.320 0.001 0.000 0.260 544 A C 0.368 177.933 177.584 -0.032 0.000 1.398 544 A CA 1.476 53.496 52.037 -0.028 0.000 0.840 544 A CB -1.559 17.431 19.000 -0.017 0.000 1.059 544 A HN 0.788 nan 8.150 nan 0.000 0.647 545 S N -1.434 114.239 115.700 -0.044 0.000 2.751 545 S HA 0.739 5.210 4.470 0.001 0.000 0.310 545 S C 1.779 176.340 174.600 -0.066 0.000 1.128 545 S CA -0.085 58.089 58.200 -0.044 0.000 0.931 545 S CB 0.519 63.699 63.200 -0.034 0.000 1.177 545 S HN 1.007 nan 8.310 nan 0.000 0.530 546 M N 1.246 120.811 119.600 -0.058 0.000 2.084 546 M HA 0.207 4.688 4.480 0.001 0.000 0.259 546 M C 0.969 177.208 176.300 -0.100 0.000 1.072 546 M CA 1.873 57.130 55.300 -0.072 0.000 1.107 546 M CB -2.037 30.532 32.600 -0.051 0.000 1.299 546 M HN 0.661 nan 8.290 nan 0.000 0.413 547 G N -0.791 107.963 108.800 -0.076 0.000 2.559 547 G HA2 0.428 4.389 3.960 0.001 0.000 0.291 547 G HA3 0.428 4.389 3.960 0.001 0.000 0.291 547 G C -1.594 173.282 174.900 -0.040 0.000 1.424 547 G CA -0.659 44.391 45.100 -0.083 0.000 0.786 547 G HN 0.211 nan 8.290 nan 0.000 0.485 548 T N 1.404 115.943 114.554 -0.025 0.000 2.794 548 T HA 0.537 4.888 4.350 0.001 0.000 0.296 548 T C 0.265 174.972 174.700 0.011 0.000 0.949 548 T CA 0.089 62.186 62.100 -0.004 0.000 1.101 548 T CB 0.495 69.363 68.868 -0.000 0.000 0.905 548 T HN 0.452 nan 8.240 nan 0.000 0.516 549 R N 1.545 122.060 120.500 0.023 0.000 2.807 549 R HA 0.880 5.221 4.340 0.001 0.000 0.276 549 R C -1.328 175.017 176.300 0.075 0.000 0.979 549 R CA -0.972 55.158 56.100 0.050 0.000 0.928 549 R CB 2.477 32.809 30.300 0.055 0.000 1.191 549 R HN 0.418 nan 8.270 nan 0.000 0.471 550 V N 1.381 121.360 119.914 0.108 0.000 3.167 550 V HA 0.491 4.611 4.120 0.001 0.000 0.293 550 V C -1.957 174.247 176.094 0.184 0.000 1.379 550 V CA -0.584 61.793 62.300 0.128 0.000 1.019 550 V CB 2.413 34.291 31.823 0.091 0.000 1.115 550 V HN 1.082 nan 8.190 nan 0.000 0.442 551 H N 1.408 120.523 119.070 0.075 0.000 3.017 551 H HA 0.621 5.177 4.556 0.001 0.000 0.346 551 H C -1.037 174.265 175.328 -0.044 0.000 1.286 551 H CA -0.731 55.325 56.048 0.014 0.000 1.120 551 H CB 1.128 30.905 29.762 0.025 0.000 1.860 551 H HN 0.686 nan 8.280 nan 0.000 0.542 552 c N 3.682 122.202 118.600 -0.132 0.000 2.610 552 c HA 0.065 4.635 4.570 0.001 0.000 0.382 552 c C 1.891 175.892 174.090 -0.148 0.000 1.287 552 c CA 0.039 56.149 56.329 -0.365 0.000 1.640 552 c CB -1.730 40.635 42.510 -0.242 0.000 2.335 552 c HN 0.988 nan 8.230 nan 0.000 0.577 553 H N 2.347 121.342 119.070 -0.125 0.000 2.436 553 H HA -0.017 4.540 4.556 0.001 0.000 0.294 553 H C 0.716 176.055 175.328 0.018 0.000 1.048 553 H CA 0.412 56.431 56.048 -0.048 0.000 1.353 553 H CB -0.018 29.667 29.762 -0.129 0.000 1.414 553 H HN 0.788 nan 8.280 nan 0.000 0.536 554 Q N 1.984 121.625 119.800 -0.265 0.000 2.312 554 Q HA 0.202 4.543 4.340 0.001 0.000 0.236 554 Q C -0.697 175.289 176.000 -0.024 0.000 0.965 554 Q CA -0.533 55.203 55.803 -0.112 0.000 0.894 554 Q CB 1.414 29.961 28.738 -0.318 0.000 1.225 554 Q HN 0.373 nan 8.270 nan 0.000 0.478 555 Q N -0.305 119.520 119.800 0.041 0.000 2.314 555 Q HA 0.382 4.723 4.340 0.001 0.000 0.258 555 Q C 0.421 176.490 176.000 0.115 0.000 0.954 555 Q CA 0.615 56.462 55.803 0.073 0.000 0.890 555 Q CB 0.931 29.700 28.738 0.053 0.000 1.210 555 Q HN 1.073 nan 8.270 nan 0.000 0.410 556 G N 1.620 110.492 108.800 0.119 0.000 2.213 556 G HA2 -0.210 3.751 3.960 0.001 0.000 0.226 556 G HA3 -0.210 3.751 3.960 0.001 0.000 0.226 556 G C -0.380 174.591 174.900 0.118 0.000 0.992 556 G CA -0.352 44.814 45.100 0.111 0.000 0.632 556 G HN 0.672 nan 8.290 nan 0.000 0.511 557 H N 0.050 119.128 119.070 0.013 0.000 2.473 557 H HA 0.602 5.158 4.556 0.001 0.000 0.327 557 H C 0.509 175.846 175.328 0.015 0.000 1.105 557 H CA 0.137 56.197 56.048 0.020 0.000 1.280 557 H CB 1.824 31.553 29.762 -0.055 0.000 1.450 557 H HN 0.707 nan 8.280 nan 0.000 0.492 558 V N 1.712 121.685 119.914 0.098 0.000 2.667 558 V HA 0.422 4.542 4.120 0.001 0.000 0.308 558 V C -0.316 175.813 176.094 0.058 0.000 1.048 558 V CA -1.231 61.114 62.300 0.074 0.000 0.928 558 V CB 1.721 33.584 31.823 0.067 0.000 1.004 558 V HN 0.542 nan 8.190 nan 0.000 0.444 559 L N 4.584 125.836 121.223 0.048 0.000 2.319 559 L HA 0.565 4.906 4.340 0.001 0.000 0.280 559 L C 1.230 178.132 176.870 0.054 0.000 1.099 559 L CA 1.412 56.274 54.840 0.036 0.000 0.828 559 L CB 1.481 43.561 42.059 0.035 0.000 1.150 559 L HN 1.077 nan 8.230 nan 0.000 0.442 560 T N 0.489 115.075 114.554 0.054 0.000 2.959 560 T HA 0.546 4.896 4.350 0.001 0.000 0.254 560 T C 0.527 175.264 174.700 0.062 0.000 1.003 560 T CA 0.234 62.373 62.100 0.064 0.000 0.950 560 T CB 0.179 69.086 68.868 0.066 0.000 1.090 560 T HN 0.793 nan 8.240 nan 0.000 0.503 561 G N -0.365 108.471 108.800 0.059 0.000 2.732 561 G HA2 0.512 4.472 3.960 0.001 0.000 0.296 561 G HA3 0.512 4.472 3.960 0.001 0.000 0.296 561 G C -1.433 173.512 174.900 0.075 0.000 1.448 561 G CA -0.663 44.474 45.100 0.063 0.000 0.911 561 G HN 0.365 nan 8.290 nan 0.000 0.528 562 c N 0.484 119.134 118.600 0.082 0.000 2.456 562 c HA 0.944 5.515 4.570 0.001 0.000 0.325 562 c C 0.497 174.665 174.090 0.131 0.000 1.217 562 c CA -0.412 55.981 56.329 0.108 0.000 1.687 562 c CB 1.132 43.699 42.510 0.096 0.000 2.270 562 c HN 0.790 nan 8.230 nan 0.000 0.499 563 S N 0.696 116.510 115.700 0.190 0.000 2.661 563 S HA 0.856 5.327 4.470 0.001 0.000 0.285 563 S C -0.997 173.813 174.600 0.350 0.000 1.138 563 S CA -0.530 57.808 58.200 0.230 0.000 0.855 563 S CB 1.956 65.267 63.200 0.184 0.000 1.136 563 S HN 0.862 nan 8.310 nan 0.000 0.484 564 S N 1.261 117.184 115.700 0.372 0.000 2.535 564 S HA 0.581 5.052 4.470 0.001 0.000 0.272 564 S C -2.041 172.792 174.600 0.389 0.000 1.149 564 S CA -0.713 57.739 58.200 0.421 0.000 0.888 564 S CB 0.957 64.384 63.200 0.378 0.000 1.110 564 S HN 0.904 nan 8.310 nan 0.000 0.463 565 H N 1.589 120.816 119.070 0.262 0.000 2.974 565 H HA 0.655 5.211 4.556 0.001 0.000 0.366 565 H C -1.746 173.655 175.328 0.121 0.000 1.155 565 H CA -0.786 55.229 56.048 -0.054 0.000 1.186 565 H CB 0.786 30.538 29.762 -0.017 0.000 1.799 565 H HN 0.749 nan 8.280 nan 0.000 0.541 566 W N 2.456 123.696 121.300 -0.099 0.000 2.929 566 W HA 0.633 5.293 4.660 -0.001 0.000 0.345 566 W C 0.073 176.559 176.519 -0.056 0.000 1.151 566 W CA -1.052 56.199 57.345 -0.157 0.000 1.111 566 W CB 1.263 30.671 29.460 -0.087 0.000 1.449 566 W HN 0.579 nan 8.180 nan 0.000 0.572 567 E N 0.172 120.503 120.200 0.219 0.000 2.447 567 E HA 0.065 4.415 4.350 0.001 0.000 0.204 567 E C 0.772 177.539 176.600 0.278 0.000 0.977 567 E CA 0.075 56.581 56.400 0.178 0.000 0.950 567 E CB 0.489 30.262 29.700 0.121 0.000 0.975 567 E HN 0.366 nan 8.360 nan 0.000 0.496 568 V N -1.085 119.011 119.914 0.304 0.000 3.596 568 V HA 0.295 4.416 4.120 0.001 0.000 0.288 568 V C 0.910 177.205 176.094 0.335 0.000 1.021 568 V CA -0.336 62.111 62.300 0.244 0.000 1.020 568 V CB 1.012 32.915 31.823 0.133 0.000 1.243 568 V HN -0.067 nan 8.190 nan 0.000 0.433 569 E N 0.277 120.611 120.200 0.223 0.000 2.465 569 E HA 0.178 4.529 4.350 0.001 0.000 0.209 569 E C -0.271 176.410 176.600 0.136 0.000 0.951 569 E CA 0.313 56.851 56.400 0.231 0.000 0.997 569 E CB 0.385 30.197 29.700 0.188 0.000 1.025 569 E HN 1.009 nan 8.360 nan 0.000 0.500 570 D N 0.839 121.275 120.400 0.061 0.000 2.527 570 D HA 0.550 5.190 4.640 0.001 0.000 0.233 570 D C 0.465 176.701 176.300 -0.107 0.000 1.063 570 D CA -0.724 53.270 54.000 -0.009 0.000 0.880 570 D CB 2.532 43.337 40.800 0.009 0.000 1.457 570 D HN -0.031 nan 8.370 nan 0.000 0.475 586 N N 0.117 118.833 118.700 0.027 0.000 2.741 586 N HA -0.187 4.554 4.740 0.001 0.000 0.251 586 N C -0.112 175.450 175.510 0.086 0.000 1.112 586 N CA 1.538 54.621 53.050 0.055 0.000 0.750 586 N CB -0.808 37.724 38.487 0.076 0.000 1.119 586 N HN 0.810 nan 8.380 nan 0.000 0.561 587 Q N -0.246 119.591 119.800 0.062 0.000 2.337 587 Q HA 0.564 4.905 4.340 0.001 0.000 0.266 587 Q C -1.011 175.030 176.000 0.068 0.000 1.023 587 Q CA -0.590 55.267 55.803 0.090 0.000 0.829 587 Q CB 1.502 30.258 28.738 0.030 0.000 1.306 587 Q HN 0.338 nan 8.270 nan 0.000 0.449 588 c N 2.842 121.491 118.600 0.082 0.000 2.355 588 c HA 0.737 5.307 4.570 0.001 0.000 0.332 588 c C -0.360 173.766 174.090 0.061 0.000 1.255 588 c CA -0.626 55.744 56.329 0.069 0.000 1.792 588 c CB 0.940 43.498 42.510 0.080 0.000 2.300 588 c HN 0.606 nan 8.230 nan 0.000 0.515 589 V N 2.501 122.445 119.914 0.050 0.000 2.680 589 V HA 0.912 5.033 4.120 0.001 0.000 0.309 589 V C 0.510 176.632 176.094 0.047 0.000 1.052 589 V CA 0.010 62.333 62.300 0.038 0.000 0.908 589 V CB 1.759 33.594 31.823 0.019 0.000 1.001 589 V HN 1.131 nan 8.190 nan 0.000 0.431 590 G N 0.635 109.460 108.800 0.041 0.000 2.730 590 G HA2 0.438 4.399 3.960 0.001 0.000 0.289 590 G HA3 0.438 4.399 3.960 0.001 0.000 0.289 590 G C -1.023 173.906 174.900 0.047 0.000 1.341 590 G CA -0.652 44.489 45.100 0.067 0.000 0.932 590 G HN 0.718 nan 8.290 nan 0.000 0.481 591 H N 0.257 119.302 119.070 -0.040 0.000 2.948 591 H HA -0.016 4.541 4.556 0.001 0.000 0.351 591 H C 1.955 177.244 175.328 -0.064 0.000 1.079 591 H CA 0.628 56.623 56.048 -0.087 0.000 1.407 591 H CB 0.959 30.611 29.762 -0.183 0.000 1.373 591 H HN 0.673 nan 8.280 nan 0.000 0.605 592 R N 2.728 123.039 120.500 -0.316 0.000 2.241 592 R HA -0.102 4.238 4.340 0.001 0.000 0.224 592 R C 0.726 177.051 176.300 0.042 0.000 1.101 592 R CA 1.770 57.794 56.100 -0.128 0.000 0.995 592 R CB -0.022 30.157 30.300 -0.202 0.000 0.870 592 R HN 0.625 nan 8.270 nan 0.000 0.463 593 E N 0.467 120.828 120.200 0.269 0.000 2.474 593 E HA 0.216 4.567 4.350 0.001 0.000 0.195 593 E C -0.182 176.489 176.600 0.119 0.000 1.039 593 E CA -0.042 56.463 56.400 0.174 0.000 0.881 593 E CB 0.952 30.744 29.700 0.153 0.000 0.970 593 E HN 0.434 nan 8.360 nan 0.000 0.486 594 A N 0.803 123.701 122.820 0.132 0.000 2.337 594 A HA 0.544 4.865 4.320 0.001 0.000 0.331 594 A C 0.027 177.623 177.584 0.020 0.000 1.137 594 A CA -0.612 51.503 52.037 0.129 0.000 0.807 594 A CB 1.282 20.432 19.000 0.251 0.000 1.250 594 A HN 0.007 nan 8.150 nan 0.000 0.468 595 S N -0.111 115.524 115.700 -0.107 0.000 2.592 595 S HA 0.479 4.950 4.470 0.001 0.000 0.271 595 S C -0.309 174.171 174.600 -0.200 0.000 1.326 595 S CA 0.033 58.124 58.200 -0.182 0.000 1.024 595 S CB 0.722 63.773 63.200 -0.249 0.000 0.921 595 S HN 0.669 nan 8.310 nan 0.000 0.527 596 I N 1.914 122.290 120.570 -0.323 0.000 2.545 596 I HA 0.403 4.574 4.170 0.001 0.000 0.292 596 I C -1.249 174.627 176.117 -0.402 0.000 1.040 596 I CA -0.333 60.827 61.300 -0.235 0.000 1.068 596 I CB 1.391 39.364 38.000 -0.044 0.000 1.251 596 I HN 0.627 nan 8.210 nan 0.000 0.424 597 H N 6.430 125.584 119.070 0.140 0.000 2.689 597 H HA 0.756 5.312 4.556 0.001 0.000 0.346 597 H C -1.015 174.377 175.328 0.107 0.000 1.037 597 H CA -0.931 55.196 56.048 0.131 0.000 1.234 597 H CB 1.768 31.609 29.762 0.131 0.000 1.572 597 H HN 0.693 nan 8.280 nan 0.000 0.524 598 A N 2.472 125.411 122.820 0.200 0.000 2.330 598 A HA 0.415 4.735 4.320 0.001 0.000 0.327 598 A C 0.083 177.729 177.584 0.103 0.000 1.155 598 A CA -0.698 51.408 52.037 0.115 0.000 0.803 598 A CB 1.352 20.375 19.000 0.039 0.000 1.208 598 A HN 0.548 nan 8.150 nan 0.000 0.477 599 S N 0.902 116.649 115.700 0.078 0.000 2.452 599 S HA 0.481 4.952 4.470 0.001 0.000 0.284 599 S C -0.508 174.110 174.600 0.030 0.000 1.171 599 S CA -0.358 57.884 58.200 0.070 0.000 1.064 599 S CB -0.387 62.854 63.200 0.068 0.000 0.967 599 S HN 0.771 nan 8.310 nan 0.000 0.484 600 c N 5.234 123.852 118.600 0.030 0.000 2.369 600 c HA 0.669 5.240 4.570 0.001 0.000 0.322 600 c C -0.203 173.957 174.090 0.118 0.000 1.258 600 c CA -0.915 55.422 56.329 0.014 0.000 1.487 600 c CB -0.267 42.137 42.510 -0.176 0.000 2.165 600 c HN 0.920 nan 8.230 nan 0.000 0.483 601 c N 2.003 120.662 118.600 0.098 0.000 2.507 601 c HA 0.463 5.034 4.570 0.001 0.000 0.319 601 c C 0.036 174.081 174.090 -0.076 0.000 1.208 601 c CA -0.508 55.854 56.329 0.056 0.000 1.619 601 c CB 0.531 43.053 42.510 0.021 0.000 2.230 601 c HN 0.980 nan 8.230 nan 0.000 0.492 602 H N 1.665 120.503 119.070 -0.387 0.000 2.761 602 H HA 0.525 5.082 4.556 0.001 0.000 0.284 602 H C -0.329 174.833 175.328 -0.277 0.000 1.105 602 H CA -0.077 55.594 56.048 -0.628 0.000 1.352 602 H CB 0.340 29.659 29.762 -0.740 0.000 1.423 602 H HN 0.871 nan 8.280 nan 0.000 0.464 603 A N 6.681 129.349 122.820 -0.254 0.000 2.872 603 A HA 0.260 4.581 4.320 0.001 0.000 0.305 603 A C -2.344 175.129 177.584 -0.185 0.000 1.171 603 A CA -1.152 50.720 52.037 -0.275 0.000 0.782 603 A CB 0.869 19.771 19.000 -0.163 0.000 1.329 603 A HN 0.594 nan 8.150 nan 0.000 0.432 604 P HA -0.077 nan 4.420 nan 0.000 0.218 604 P C 1.658 178.903 177.300 -0.092 0.000 1.149 604 P CA 1.829 64.871 63.100 -0.096 0.000 0.817 604 P CB 0.318 31.966 31.700 -0.086 0.000 0.785 605 G N -1.319 107.393 108.800 -0.146 0.000 2.708 605 G HA2 -0.013 3.947 3.960 0.001 0.000 0.210 605 G HA3 -0.013 3.947 3.960 0.001 0.000 0.210 605 G C 0.269 175.127 174.900 -0.071 0.000 1.141 605 G CA 0.118 45.141 45.100 -0.128 0.000 0.788 605 G HN 0.191 nan 8.290 nan 0.000 0.531 606 L N -0.035 121.155 121.223 -0.054 0.000 2.329 606 L HA 0.566 4.906 4.340 0.001 0.000 0.279 606 L C -0.498 176.382 176.870 0.017 0.000 1.014 606 L CA -1.121 53.717 54.840 -0.005 0.000 0.814 606 L CB 2.162 44.226 42.059 0.009 0.000 1.257 606 L HN 0.088 nan 8.230 nan 0.000 0.424 607 E N 3.489 123.704 120.200 0.025 0.000 2.210 607 E HA 0.555 4.905 4.350 0.001 0.000 0.266 607 E C -1.723 175.006 176.600 0.216 0.000 0.883 607 E CA -0.586 55.868 56.400 0.090 0.000 0.761 607 E CB 1.398 31.134 29.700 0.059 0.000 1.156 607 E HN 0.705 nan 8.360 nan 0.000 0.412 608 c N 3.400 122.150 118.600 0.250 0.000 2.707 608 c HA 0.655 5.226 4.570 0.001 0.000 0.313 608 c C -0.564 173.662 174.090 0.227 0.000 1.209 608 c CA -0.809 55.700 56.329 0.301 0.000 1.635 608 c CB 1.407 44.023 42.510 0.177 0.000 2.206 608 c HN 0.757 nan 8.230 nan 0.000 0.485 609 K N 0.629 121.108 120.400 0.132 0.000 2.509 609 K HA 0.769 5.089 4.320 0.001 0.000 0.266 609 K C -1.711 174.857 176.600 -0.052 0.000 0.987 609 K CA -0.616 55.655 56.287 -0.026 0.000 0.868 609 K CB 2.279 34.650 32.500 -0.215 0.000 1.421 609 K HN 0.381 nan 8.250 nan 0.000 0.444 610 V N 1.897 121.779 119.914 -0.054 0.000 2.417 610 V HA 0.371 4.491 4.120 0.001 0.000 0.291 610 V C -0.489 175.564 176.094 -0.068 0.000 1.024 610 V CA -0.698 61.577 62.300 -0.041 0.000 0.861 610 V CB 1.444 33.260 31.823 -0.012 0.000 0.985 610 V HN 0.595 nan 8.190 nan 0.000 0.436 611 K N 3.808 124.168 120.400 -0.066 0.000 2.270 611 K HA 0.634 4.954 4.320 0.001 0.000 0.255 611 K C -0.824 175.764 176.600 -0.019 0.000 0.936 611 K CA -0.541 55.707 56.287 -0.064 0.000 0.809 611 K CB 1.790 34.231 32.500 -0.098 0.000 1.131 611 K HN 0.794 nan 8.250 nan 0.000 0.427 612 E N 2.012 122.213 120.200 0.000 0.000 2.288 612 E HA 0.224 4.574 4.350 0.001 0.000 0.268 612 E C -1.422 175.238 176.600 0.099 0.000 0.885 612 E CA -0.849 55.572 56.400 0.034 0.000 0.767 612 E CB 2.285 31.997 29.700 0.020 0.000 1.220 612 E HN 0.516 nan 8.360 nan 0.000 0.427 613 H N 0.848 119.905 119.070 -0.022 0.000 2.934 613 H HA 0.471 5.025 4.556 -0.002 0.000 0.340 613 H C -1.248 174.073 175.328 -0.013 0.000 1.008 613 H CA -0.750 55.287 56.048 -0.018 0.000 1.317 613 H CB 1.568 31.318 29.762 -0.019 0.000 1.670 613 H HN 0.689 nan 8.280 nan 0.000 0.516 614 G N 5.321 114.057 108.800 -0.106 0.000 2.415 614 G HA2 0.499 4.460 3.960 0.001 0.000 0.327 614 G HA3 0.499 4.460 3.960 0.001 0.000 0.327 614 G C -0.836 173.901 174.900 -0.271 0.000 1.182 614 G CA -0.602 44.383 45.100 -0.192 0.000 0.924 614 G HN 0.584 nan 8.290 nan 0.000 0.470 615 I N 3.520 123.932 120.570 -0.263 0.000 2.389 615 I HA 0.243 4.414 4.170 0.001 0.000 0.288 615 I C -1.656 174.416 176.117 -0.075 0.000 0.999 615 I CA -2.259 58.944 61.300 -0.161 0.000 1.129 615 I CB 3.234 41.133 38.000 -0.169 0.000 1.288 615 I HN 0.319 nan 8.210 nan 0.000 0.444 616 P HA -0.103 nan 4.420 nan 0.000 0.214 616 P C 0.103 177.396 177.300 -0.012 0.000 1.162 616 P CA 0.888 63.977 63.100 -0.019 0.000 0.879 616 P CB 0.335 32.032 31.700 -0.006 0.000 0.786 617 A N 0.047 122.864 122.820 -0.006 0.000 2.654 617 A HA 0.424 4.744 4.320 0.001 0.000 0.345 617 A C -2.363 175.222 177.584 0.002 0.000 1.368 617 A CA -1.551 50.488 52.037 0.003 0.000 0.895 617 A CB -0.214 18.792 19.000 0.010 0.000 1.143 617 A HN 0.044 nan 8.150 nan 0.000 0.490 618 P HA 0.021 nan 4.420 nan 0.000 0.265 618 P C 0.431 177.743 177.300 0.019 0.000 1.222 618 P CA 0.314 63.414 63.100 0.000 0.000 0.767 618 P CB 0.793 32.494 31.700 0.002 0.000 0.801 619 Q N 2.446 122.258 119.800 0.019 0.000 2.061 619 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 619 Q C 0.917 176.940 176.000 0.037 0.000 0.984 619 Q CA 1.701 57.520 55.803 0.027 0.000 0.846 619 Q CB 0.101 28.855 28.738 0.027 0.000 0.902 619 Q HN 0.643 nan 8.270 nan 0.000 0.421 620 E N -1.713 118.511 120.200 0.040 0.000 2.527 620 E HA 0.034 4.384 4.350 0.001 0.000 0.211 620 E C -0.246 176.389 176.600 0.059 0.000 1.031 620 E CA 0.051 56.486 56.400 0.057 0.000 1.654 620 E CB 0.736 30.472 29.700 0.060 0.000 2.873 620 E HN 0.203 nan 8.360 nan 0.000 1.109 621 Q N 0.740 120.563 119.800 0.038 0.000 2.377 621 Q HA 0.614 4.955 4.340 0.001 0.000 0.279 621 Q C -1.377 174.621 176.000 -0.004 0.000 1.049 621 Q CA -0.828 54.987 55.803 0.020 0.000 0.825 621 Q CB 2.516 31.269 28.738 0.024 0.000 1.401 621 Q HN -0.087 nan 8.270 nan 0.000 0.404 622 V N 1.889 121.782 119.914 -0.034 0.000 2.495 622 V HA 0.720 4.841 4.120 0.001 0.000 0.298 622 V C -0.157 175.915 176.094 -0.037 0.000 1.031 622 V CA -0.119 62.142 62.300 -0.065 0.000 0.871 622 V CB 1.534 33.274 31.823 -0.138 0.000 0.988 622 V HN 0.993 nan 8.190 nan 0.000 0.432 623 T N 1.388 115.964 114.554 0.037 0.000 2.906 623 T HA 0.836 5.187 4.350 0.001 0.000 0.295 623 T C -1.107 173.687 174.700 0.155 0.000 1.061 623 T CA -0.854 61.280 62.100 0.057 0.000 1.000 623 T CB 1.992 70.888 68.868 0.046 0.000 1.103 623 T HN 0.700 nan 8.240 nan 0.000 0.486 624 V N 0.402 120.368 119.914 0.087 0.000 2.932 624 V HA 0.854 4.974 4.120 0.001 0.000 0.307 624 V C -1.272 174.839 176.094 0.029 0.000 1.147 624 V CA -0.468 61.877 62.300 0.076 0.000 0.951 624 V CB 1.769 33.646 31.823 0.090 0.000 1.031 624 V HN 1.576 nan 8.190 nan 0.000 0.426 625 A N 4.614 127.437 122.820 0.007 0.000 2.365 625 A HA 0.749 5.070 4.320 0.001 0.000 0.318 625 A C -0.156 177.422 177.584 -0.010 0.000 1.091 625 A CA -0.431 51.611 52.037 0.009 0.000 0.763 625 A CB 1.222 20.231 19.000 0.015 0.000 1.248 625 A HN 1.068 nan 8.150 nan 0.000 0.442 626 c N 1.854 120.461 118.600 0.011 0.000 2.689 626 c HA 0.279 4.850 4.570 0.001 0.000 0.409 626 c C 0.852 174.948 174.090 0.010 0.000 1.293 626 c CA -0.487 55.839 56.329 -0.004 0.000 2.136 626 c CB -0.477 42.087 42.510 0.089 0.000 2.719 626 c HN 0.803 nan 8.230 nan 0.000 0.644 627 E N 1.240 121.401 120.200 -0.064 0.000 2.404 627 E HA 0.044 4.394 4.350 0.001 0.000 0.261 627 E C 0.169 176.897 176.600 0.213 0.000 1.074 627 E CA 0.055 56.468 56.400 0.023 0.000 0.917 627 E CB 0.289 29.941 29.700 -0.081 0.000 0.965 627 E HN 0.655 nan 8.360 nan 0.000 0.433 628 E N -0.103 120.203 120.200 0.176 0.000 2.558 628 E HA 0.060 4.411 4.350 0.001 0.000 0.255 628 E C 0.687 177.433 176.600 0.245 0.000 0.968 628 E CA 0.922 57.427 56.400 0.174 0.000 0.939 628 E CB -0.070 29.700 29.700 0.117 0.000 0.921 628 E HN 0.690 nan 8.360 nan 0.000 0.477 629 G N 3.432 112.345 108.800 0.189 0.000 2.194 629 G HA2 -0.252 3.709 3.960 0.001 0.000 0.236 629 G HA3 -0.252 3.709 3.960 0.001 0.000 0.236 629 G C -0.576 174.331 174.900 0.011 0.000 0.987 629 G CA 0.009 45.166 45.100 0.095 0.000 0.635 629 G HN 0.503 nan 8.290 nan 0.000 0.520 630 W N 0.561 121.881 121.300 0.033 0.000 2.578 630 W HA 0.716 5.376 4.660 -0.000 0.000 0.353 630 W C 0.235 176.773 176.519 0.033 0.000 1.088 630 W CA -0.358 57.005 57.345 0.029 0.000 1.235 630 W CB 1.523 31.000 29.460 0.029 0.000 1.362 630 W HN 0.036 nan 8.180 nan 0.000 0.592 631 T N 3.211 117.917 114.554 0.253 0.000 2.792 631 T HA 0.308 4.658 4.350 0.001 0.000 0.280 631 T C -0.865 173.939 174.700 0.174 0.000 0.990 631 T CA -0.683 61.518 62.100 0.168 0.000 0.960 631 T CB 0.851 69.769 68.868 0.084 0.000 0.939 631 T HN 0.198 nan 8.240 nan 0.000 0.439 632 L N 4.642 125.950 121.223 0.141 0.000 2.534 632 L HA 0.245 4.586 4.340 0.001 0.000 0.271 632 L C 1.506 178.436 176.870 0.100 0.000 1.178 632 L CA 0.956 55.863 54.840 0.112 0.000 0.907 632 L CB 0.367 42.480 42.059 0.091 0.000 1.164 632 L HN 0.908 nan 8.230 nan 0.000 0.482 633 T N 0.554 115.166 114.554 0.096 0.000 2.990 633 T HA 0.449 4.799 4.350 0.001 0.000 0.249 633 T C 0.608 175.347 174.700 0.066 0.000 1.039 633 T CA 0.295 62.445 62.100 0.082 0.000 1.036 633 T CB 0.172 69.093 68.868 0.089 0.000 0.994 633 T HN 0.696 nan 8.240 nan 0.000 0.489 634 G N -0.180 108.658 108.800 0.062 0.000 2.731 634 G HA2 0.525 4.486 3.960 0.001 0.000 0.298 634 G HA3 0.525 4.486 3.960 0.001 0.000 0.298 634 G C -1.648 173.277 174.900 0.041 0.000 1.424 634 G CA -0.638 44.493 45.100 0.051 0.000 1.029 634 G HN 0.436 nan 8.290 nan 0.000 0.518 635 c N 2.415 121.035 118.600 0.033 0.000 2.516 635 c HA 0.930 5.501 4.570 0.001 0.000 0.338 635 c C -0.052 174.050 174.090 0.020 0.000 1.132 635 c CA 0.037 56.377 56.329 0.018 0.000 1.310 635 c CB 0.128 42.641 42.510 0.004 0.000 1.898 635 c HN 1.401 nan 8.230 nan 0.000 0.452 636 S N 4.114 119.826 115.700 0.021 0.000 2.615 636 S HA 0.876 5.347 4.470 0.001 0.000 0.269 636 S C -0.776 173.841 174.600 0.029 0.000 1.161 636 S CA -0.265 57.958 58.200 0.038 0.000 0.817 636 S CB 1.247 64.484 63.200 0.063 0.000 1.131 636 S HN 1.944 nan 8.310 nan 0.000 0.467 637 A N 0.857 123.704 122.820 0.046 0.000 2.301 637 A HA 0.721 5.042 4.320 0.001 0.000 0.312 637 A C -0.480 177.126 177.584 0.038 0.000 1.182 637 A CA -0.603 51.455 52.037 0.034 0.000 0.826 637 A CB 0.357 19.384 19.000 0.046 0.000 1.134 637 A HN 0.931 nan 8.150 nan 0.000 0.501 638 L N 4.477 125.712 121.223 0.019 0.000 2.455 638 L HA 0.314 4.654 4.340 0.001 0.000 0.272 638 L C -1.530 175.349 176.870 0.015 0.000 1.174 638 L CA -1.018 53.832 54.840 0.017 0.000 0.869 638 L CB 0.010 42.071 42.059 0.003 0.000 1.130 638 L HN 0.571 nan 8.230 nan 0.000 0.474 639 P HA 0.406 nan 4.420 nan 0.000 0.271 639 P C -0.173 177.127 177.300 0.001 0.000 1.233 639 P CA -0.021 63.092 63.100 0.021 0.000 0.789 639 P CB 1.092 32.812 31.700 0.033 0.000 0.951 640 G N -0.128 108.676 108.800 0.007 0.000 2.601 640 G HA2 0.243 4.203 3.960 0.001 0.000 0.080 640 G HA3 0.243 4.203 3.960 0.001 0.000 0.080 640 G C -0.363 174.531 174.900 -0.010 0.000 1.046 640 G CA 0.171 45.265 45.100 -0.010 0.000 1.143 640 G HN 0.626 nan 8.290 nan 0.000 0.507 641 T N -1.173 113.336 114.554 -0.075 0.000 3.332 641 T HA 0.487 4.838 4.350 0.001 0.000 0.304 641 T C 0.365 174.900 174.700 -0.275 0.000 0.971 641 T CA 0.731 62.739 62.100 -0.154 0.000 0.954 641 T CB 0.337 69.134 68.868 -0.119 0.000 1.175 641 T HN 0.597 nan 8.240 nan 0.000 0.519 642 S N 2.554 118.143 115.700 -0.185 0.000 2.562 642 S HA 0.139 4.610 4.470 0.001 0.000 0.281 642 S C 0.149 174.625 174.600 -0.206 0.000 1.333 642 S CA -0.369 57.732 58.200 -0.166 0.000 1.052 642 S CB 0.005 63.173 63.200 -0.053 0.000 0.884 642 S HN 0.432 nan 8.310 nan 0.000 0.506 643 H N 2.280 121.362 119.070 0.021 0.000 2.998 643 H HA 0.199 4.755 4.556 0.000 0.000 0.241 643 H C 0.283 175.650 175.328 0.066 0.000 1.852 643 H CA -0.236 55.834 56.048 0.037 0.000 1.419 643 H CB -1.016 28.767 29.762 0.036 0.000 1.793 643 H HN 0.400 nan 8.280 nan 0.000 0.553 644 V N 0.110 120.107 119.914 0.139 0.000 2.583 644 V HA 0.107 4.227 4.120 0.001 0.000 0.287 644 V C 1.225 177.443 176.094 0.207 0.000 1.051 644 V CA -0.562 61.832 62.300 0.157 0.000 1.010 644 V CB 1.290 33.188 31.823 0.125 0.000 0.988 644 V HN 0.453 nan 8.190 nan 0.000 0.478 645 L N 3.506 124.880 121.223 0.252 0.000 2.341 645 L HA 0.538 4.879 4.340 0.001 0.000 0.214 645 L C 1.284 178.390 176.870 0.394 0.000 1.115 645 L CA 1.032 56.043 54.840 0.284 0.000 0.820 645 L CB -0.387 41.901 42.059 0.383 0.000 0.944 645 L HN 1.135 nan 8.230 nan 0.000 0.452 646 G N -0.719 108.328 108.800 0.412 0.000 2.350 646 G HA2 0.440 4.401 3.960 0.001 0.000 0.282 646 G HA3 0.440 4.401 3.960 0.001 0.000 0.282 646 G C -2.065 172.992 174.900 0.262 0.000 1.314 646 G CA -0.206 45.138 45.100 0.407 0.000 0.915 646 G HN 0.202 nan 8.290 nan 0.000 0.499 647 A N -1.034 121.899 122.820 0.188 0.000 2.587 647 A HA 1.071 5.392 4.320 0.001 0.000 0.293 647 A C -1.187 176.389 177.584 -0.013 0.000 1.087 647 A CA -0.124 51.877 52.037 -0.060 0.000 0.692 647 A CB 1.582 20.565 19.000 -0.029 0.000 1.291 647 A HN 2.326 nan 8.150 nan 0.000 0.407 648 Y N -2.089 118.194 120.300 -0.029 0.000 2.604 648 Y HA 0.747 5.294 4.550 -0.004 0.000 0.331 648 Y C -0.216 175.676 175.900 -0.012 0.000 1.158 648 Y CA -0.932 57.117 58.100 -0.085 0.000 1.056 648 Y CB 0.918 39.296 38.460 -0.137 0.000 1.330 648 Y HN 1.202 nan 8.280 nan 0.000 0.457 649 A N 1.618 124.534 122.820 0.159 0.000 2.362 649 A HA 0.645 4.966 4.320 0.001 0.000 0.276 649 A C -0.939 176.789 177.584 0.240 0.000 1.153 649 A CA -0.613 51.508 52.037 0.140 0.000 0.813 649 A CB 0.186 19.240 19.000 0.090 0.000 1.081 649 A HN 0.728 nan 8.150 nan 0.000 0.507 650 V N 4.333 124.375 119.914 0.214 0.000 2.293 650 V HA 0.309 4.429 4.120 0.001 0.000 0.275 650 V C 0.590 176.765 176.094 0.134 0.000 1.021 650 V CA 0.224 62.648 62.300 0.206 0.000 0.815 650 V CB -0.014 31.938 31.823 0.214 0.000 1.025 650 V HN 1.231 nan 8.190 nan 0.000 0.448 651 D N 4.478 124.951 120.400 0.121 0.000 4.134 651 D HA -0.288 4.352 4.640 0.001 0.000 0.141 651 D C 0.854 177.211 176.300 0.095 0.000 0.779 651 D CA 2.321 56.379 54.000 0.096 0.000 1.126 651 D CB -0.519 40.328 40.800 0.077 0.000 0.523 651 D HN 0.533 nan 8.370 nan 0.000 0.513 652 N N -0.212 118.541 118.700 0.088 0.000 2.275 652 N HA 0.203 4.943 4.740 0.001 0.000 0.236 652 N C -0.874 174.680 175.510 0.073 0.000 1.154 652 N CA 0.313 53.416 53.050 0.089 0.000 0.866 652 N CB 0.849 39.397 38.487 0.101 0.000 1.093 652 N HN 0.237 nan 8.380 nan 0.000 0.515 653 T N 0.335 114.931 114.554 0.070 0.000 2.829 653 T HA 0.214 4.565 4.350 0.001 0.000 0.280 653 T C -0.337 174.389 174.700 0.043 0.000 0.999 653 T CA -0.402 61.730 62.100 0.053 0.000 0.983 653 T CB 2.126 71.026 68.868 0.054 0.000 0.968 653 T HN 0.074 nan 8.240 nan 0.000 0.446 654 c N 4.579 123.190 118.600 0.018 0.000 2.347 654 c HA 0.694 5.265 4.570 0.001 0.000 0.353 654 c C -0.140 173.907 174.090 -0.072 0.000 1.273 654 c CA -0.272 56.045 56.329 -0.020 0.000 1.861 654 c CB -1.327 41.176 42.510 -0.011 0.000 2.420 654 c HN 0.698 nan 8.230 nan 0.000 0.542 655 V N 7.458 127.254 119.914 -0.196 0.000 2.417 655 V HA 0.496 4.617 4.120 0.001 0.000 0.291 655 V C -0.135 175.703 176.094 -0.427 0.000 1.024 655 V CA -0.388 61.719 62.300 -0.323 0.000 0.861 655 V CB 1.525 33.055 31.823 -0.488 0.000 0.985 655 V HN 0.723 nan 8.190 nan 0.000 0.436 656 V N 5.725 125.501 119.914 -0.231 0.000 2.495 656 V HA 0.579 4.699 4.120 0.001 0.000 0.298 656 V C -0.010 176.037 176.094 -0.077 0.000 1.031 656 V CA -0.813 61.397 62.300 -0.149 0.000 0.871 656 V CB 2.006 33.791 31.823 -0.063 0.000 0.988 656 V HN 0.729 nan 8.190 nan 0.000 0.432 657 R N 2.769 123.276 120.500 0.010 0.000 2.338 657 R HA 0.610 4.951 4.340 0.001 0.000 0.317 657 R C -0.314 176.086 176.300 0.166 0.000 0.968 657 R CA -0.186 55.987 56.100 0.122 0.000 0.849 657 R CB 2.064 32.525 30.300 0.267 0.000 1.128 657 R HN 0.878 nan 8.270 nan 0.000 0.448 658 S N 2.289 118.068 115.700 0.132 0.000 2.568 658 S HA 0.540 5.011 4.470 0.001 0.000 0.302 658 S C 0.161 174.843 174.600 0.137 0.000 1.082 658 S CA -0.997 57.281 58.200 0.129 0.000 1.009 658 S CB 2.677 65.928 63.200 0.085 0.000 1.069 658 S HN 0.558 nan 8.310 nan 0.000 0.500 671 A N -1.128 121.680 122.820 -0.021 0.000 2.527 671 A HA 0.814 5.135 4.320 0.001 0.000 0.293 671 A C -1.468 176.097 177.584 -0.032 0.000 1.117 671 A CA -0.446 51.575 52.037 -0.026 0.000 0.723 671 A CB 1.823 20.805 19.000 -0.029 0.000 1.313 671 A HN 1.360 nan 8.150 nan 0.000 0.411 672 V N 1.076 120.964 119.914 -0.043 0.000 2.417 672 V HA 0.602 4.723 4.120 0.001 0.000 0.291 672 V C -0.263 175.784 176.094 -0.078 0.000 1.024 672 V CA -0.247 62.026 62.300 -0.046 0.000 0.861 672 V CB 1.585 33.388 31.823 -0.032 0.000 0.985 672 V HN 0.895 nan 8.190 nan 0.000 0.436 673 T N 4.343 118.861 114.554 -0.059 0.000 2.786 673 T HA 0.662 5.013 4.350 0.001 0.000 0.283 673 T C 0.085 174.758 174.700 -0.044 0.000 0.992 673 T CA -0.268 61.792 62.100 -0.066 0.000 0.954 673 T CB 1.557 70.404 68.868 -0.035 0.000 0.934 673 T HN 0.881 nan 8.240 nan 0.000 0.440 674 A N 3.040 125.829 122.820 -0.053 0.000 2.331 674 A HA 0.685 5.006 4.320 0.001 0.000 0.283 674 A C -0.261 177.326 177.584 0.005 0.000 1.142 674 A CA -0.499 51.525 52.037 -0.022 0.000 0.812 674 A CB 0.376 19.364 19.000 -0.020 0.000 1.074 674 A HN 0.691 nan 8.150 nan 0.000 0.497 675 V N 1.952 121.869 119.914 0.007 0.000 2.409 675 V HA 0.616 4.736 4.120 0.001 0.000 0.290 675 V C 0.294 176.396 176.094 0.014 0.000 1.017 675 V CA -0.291 62.017 62.300 0.013 0.000 0.841 675 V CB 1.128 32.961 31.823 0.017 0.000 1.003 675 V HN 1.175 nan 8.190 nan 0.000 0.426 676 A N 6.136 128.962 122.820 0.010 0.000 2.304 676 A HA 0.891 5.212 4.320 0.001 0.000 0.323 676 A C -0.597 176.994 177.584 0.013 0.000 1.195 676 A CA -0.534 51.511 52.037 0.013 0.000 0.826 676 A CB 0.700 19.705 19.000 0.009 0.000 1.184 676 A HN 0.793 nan 8.150 nan 0.000 0.496 677 I N 1.875 122.465 120.570 0.034 0.000 2.321 677 I HA 0.300 4.471 4.170 0.001 0.000 0.291 677 I C -0.671 175.493 176.117 0.079 0.000 0.998 677 I CA -0.246 61.083 61.300 0.048 0.000 1.227 677 I CB 1.169 39.204 38.000 0.059 0.000 1.368 677 I HN 0.537 nan 8.210 nan 0.000 0.466 678 c N 5.328 123.986 118.600 0.097 0.000 2.408 678 c HA 0.691 5.262 4.570 0.001 0.000 0.321 678 c C -0.022 174.321 174.090 0.421 0.000 1.245 678 c CA -0.807 55.647 56.329 0.209 0.000 1.523 678 c CB 0.463 43.038 42.510 0.108 0.000 2.178 678 c HN 0.809 nan 8.230 nan 0.000 0.488 679 c N 2.514 121.363 118.600 0.415 0.000 2.889 679 c HA 0.969 5.540 4.570 0.001 0.000 0.307 679 c C -0.188 173.972 174.090 0.116 0.000 1.251 679 c CA -0.811 55.724 56.329 0.343 0.000 1.593 679 c CB 1.674 44.293 42.510 0.182 0.000 2.104 679 c HN 1.082 nan 8.230 nan 0.000 0.476 680 R N 0.179 120.558 120.500 -0.201 0.000 2.774 680 R HA 0.742 5.082 4.340 0.001 0.000 0.272 680 R C -0.713 175.471 176.300 -0.194 0.000 1.000 680 R CA -0.178 55.706 56.100 -0.359 0.000 0.906 680 R CB 1.427 31.200 30.300 -0.879 0.000 1.227 680 R HN 0.640 nan 8.270 nan 0.000 0.468 681 S N 0.727 116.382 115.700 -0.075 0.000 2.585 681 S HA 0.234 4.705 4.470 0.001 0.000 0.273 681 S C -0.291 174.298 174.600 -0.019 0.000 1.339 681 S CA -0.697 57.547 58.200 0.074 0.000 1.028 681 S CB 0.386 63.755 63.200 0.281 0.000 0.906 681 S HN 0.655 nan 8.310 nan 0.000 0.528 682 R N 3.660 124.166 120.500 0.010 0.000 2.513 682 R HA 0.469 4.810 4.340 0.001 0.000 0.301 682 R C -0.292 176.033 176.300 0.042 0.000 0.968 682 R CA -0.888 55.209 56.100 -0.005 0.000 0.872 682 R CB 0.911 31.177 30.300 -0.056 0.000 1.177 682 R HN 0.891 nan 8.270 nan 0.000 0.444 683 H N 0.000 119.055 119.070 -0.025 0.000 2.539 683 H HA 0.000 4.556 4.556 0.001 0.000 0.296 683 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 683 H CB 0.000 29.762 29.762 -0.001 0.000 1.292 683 H HN 0.000 nan 8.280 nan 0.000 0.496