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 3l2j_1_A DATA FIRST_RESID -341 DATA SEQUENCE EEGKLVIWIN GDKGYNGLAE VGKKFEKDTG IKVTVEHPDK LEEKFPQVAA DATA SEQUENCE TGDGPDIIFW AHDRFGGYAQ SGLLAEITPD KAFQDKLYPF TWDAVRYNGK DATA SEQUENCE LIAYPIAVEA LSLIYNKDLL PNPPKTWEEI PALDKELKAK GKSALMFNLQ DATA SEQUENCE EPYFTWPLIA ADGGYAFKYE NGKYDIKDVG VDNAGAKAGL TFLVDLIKNK DATA SEQUENCE HMNADTDYSI AEAAFNKGET AMTINGPWAW SNIDTSKVNY GVTVLPTFKG DATA SEQUENCE QPSKPFVGVL SAGINAASPN KELAKEFLEN YLLTDEGLEA VNKDKPLGAV DATA SEQUENCE ALKSYEEELA KDPRIAATME NAQKGEIMPN IPQMSAFWYA VRTAVINAAS DATA SEQUENCE GRQTVDEALK DAQTNAAAEF DDVMTKEEQI FLLHRAQAQc EKRLKEVLQR DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXRPc DATA SEQUENCE LPEWDHILcW PLGAPGEVVA VPcPDYIYDF NHKGHAYRRc DRNGSWELVP DATA SEQUENCE GHNRTWANYS EcVKFLTNET REREVFDRLH 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 -341 E HA 0.000 nan 4.350 nan 0.000 0.291 -341 E C 0.000 176.591 176.600 -0.016 0.000 1.382 -341 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 -341 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 -340 E N 1.371 121.563 120.200 -0.012 0.000 2.467 -340 E HA 0.193 4.542 4.350 -0.001 0.000 0.264 -340 E C 1.025 177.623 176.600 -0.004 0.000 1.020 -340 E CA 2.159 58.554 56.400 -0.008 0.000 0.945 -340 E CB 0.362 30.058 29.700 -0.006 0.000 0.942 -340 E HN 0.790 nan 8.360 nan 0.000 0.449 -339 G N 2.920 111.721 108.800 0.003 0.000 2.168 -339 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.263 -339 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.263 -339 G C -0.098 174.809 174.900 0.012 0.000 0.977 -339 G CA 1.072 46.177 45.100 0.009 0.000 0.659 -339 G HN 0.676 nan 8.290 nan 0.000 0.533 -338 K N -1.028 119.375 120.400 0.005 0.000 2.509 -338 K HA 0.831 5.150 4.320 -0.001 0.000 0.266 -338 K C -0.878 175.707 176.600 -0.025 0.000 0.987 -338 K CA -1.339 54.948 56.287 0.000 0.000 0.868 -338 K CB 1.443 33.940 32.500 -0.005 0.000 1.421 -338 K HN 0.146 nan 8.250 nan 0.000 0.444 -337 L N 2.187 123.377 121.223 -0.056 0.000 2.313 -337 L HA 0.518 4.858 4.340 -0.001 0.000 0.283 -337 L C -0.936 175.877 176.870 -0.095 0.000 1.013 -337 L CA -1.371 53.401 54.840 -0.113 0.000 0.816 -337 L CB 2.029 43.941 42.059 -0.244 0.000 1.236 -337 L HN 0.435 nan 8.230 nan 0.000 0.419 -336 V N 4.824 124.695 119.914 -0.072 0.000 2.427 -336 V HA 0.481 4.601 4.120 -0.001 0.000 0.286 -336 V C -0.014 176.071 176.094 -0.014 0.000 1.034 -336 V CA -0.339 61.947 62.300 -0.024 0.000 0.893 -336 V CB 1.945 33.756 31.823 -0.019 0.000 0.982 -336 V HN 0.507 nan 8.190 nan 0.000 0.452 -335 I N 3.655 124.283 120.570 0.097 0.000 2.468 -335 I HA 0.375 4.545 4.170 -0.001 0.000 0.285 -335 I C -1.156 175.211 176.117 0.416 0.000 1.039 -335 I CA -0.321 61.097 61.300 0.197 0.000 1.074 -335 I CB 1.868 39.965 38.000 0.162 0.000 1.228 -335 I HN 0.523 nan 8.210 nan 0.000 0.436 -334 W N 7.519 128.908 121.300 0.148 0.000 2.390 -334 W HA 0.697 5.357 4.660 -0.001 0.000 0.312 -334 W C -0.212 176.441 176.519 0.224 0.000 1.123 -334 W CA -0.946 56.479 57.345 0.134 0.000 1.202 -334 W CB 1.128 30.649 29.460 0.103 0.000 1.251 -334 W HN 0.244 nan 8.180 nan 0.000 0.511 -333 I N 3.199 123.964 120.570 0.325 0.000 2.841 -333 I HA 0.268 4.438 4.170 -0.001 0.000 0.298 -333 I C -0.282 175.929 176.117 0.157 0.000 1.304 -333 I CA -0.816 60.626 61.300 0.237 0.000 1.019 -333 I CB 1.576 39.572 38.000 -0.007 0.000 1.282 -333 I HN 0.190 nan 8.210 nan 0.000 0.432 -332 N N 3.423 122.214 118.700 0.151 0.000 2.441 -332 N HA 0.141 4.881 4.740 -0.001 0.000 0.251 -332 N C 0.902 176.424 175.510 0.019 0.000 1.242 -332 N CA 1.022 54.121 53.050 0.083 0.000 0.898 -332 N CB 1.595 40.048 38.487 -0.056 0.000 1.100 -332 N HN 0.811 nan 8.380 nan 0.000 0.443 -331 G N 0.773 109.570 108.800 -0.005 0.000 2.744 -331 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.211 -331 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.211 -331 G C 0.640 175.572 174.900 0.055 0.000 1.143 -331 G CA 0.479 45.570 45.100 -0.016 0.000 0.788 -331 G HN 0.778 nan 8.290 nan 0.000 0.534 -330 D N -0.397 119.948 120.400 -0.091 0.000 2.369 -330 D HA 0.073 4.713 4.640 -0.001 0.000 0.211 -330 D C 0.828 177.061 176.300 -0.112 0.000 1.077 -330 D CA 0.063 53.986 54.000 -0.129 0.000 0.842 -330 D CB 0.348 40.922 40.800 -0.376 0.000 0.947 -330 D HN 0.049 nan 8.370 nan 0.000 0.509 -329 K N 0.347 120.686 120.400 -0.103 0.000 2.399 -329 K HA 0.487 4.807 4.320 -0.001 0.000 0.247 -329 K C 0.852 177.402 176.600 -0.084 0.000 1.036 -329 K CA -0.693 55.546 56.287 -0.079 0.000 0.977 -329 K CB 0.574 33.003 32.500 -0.118 0.000 1.272 -329 K HN 0.005 nan 8.250 nan 0.000 0.501 -328 G N 1.672 110.409 108.800 -0.106 0.000 3.343 -328 G HA2 0.137 4.096 3.960 -0.001 0.000 0.264 -328 G HA3 0.137 4.096 3.960 -0.001 0.000 0.264 -328 G C 0.715 175.501 174.900 -0.190 0.000 0.884 -328 G CA -0.227 44.762 45.100 -0.186 0.000 1.916 -328 G HN 0.576 nan 8.290 nan 0.000 0.618 -327 Y N -0.662 119.564 120.300 -0.123 0.000 2.373 -327 Y HA -0.032 4.518 4.550 -0.001 0.000 0.293 -327 Y C 2.076 177.943 175.900 -0.055 0.000 1.129 -327 Y CA 0.973 59.008 58.100 -0.110 0.000 1.226 -327 Y CB -0.478 37.907 38.460 -0.125 0.000 1.000 -327 Y HN 0.385 nan 8.280 nan 0.000 0.549 -326 N N 0.607 119.164 118.700 -0.239 0.000 2.188 -326 N HA -0.089 4.650 4.740 -0.001 0.000 0.184 -326 N C 2.161 177.652 175.510 -0.032 0.000 1.018 -326 N CA 0.761 53.763 53.050 -0.079 0.000 0.858 -326 N CB -0.385 38.004 38.487 -0.164 0.000 0.989 -326 N HN 0.573 nan 8.380 nan 0.000 0.426 -325 G N 1.289 110.048 108.800 -0.068 0.000 2.408 -325 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 -325 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 -325 G C 1.444 176.351 174.900 0.013 0.000 1.150 -325 G CA 0.269 45.355 45.100 -0.023 0.000 0.776 -325 G HN 0.145 nan 8.290 nan 0.000 0.542 -324 L N 1.283 122.510 121.223 0.006 0.000 2.141 -324 L HA 0.233 4.572 4.340 -0.001 0.000 0.209 -324 L C 2.991 179.929 176.870 0.113 0.000 1.094 -324 L CA 1.795 56.663 54.840 0.047 0.000 0.763 -324 L CB -0.560 41.476 42.059 -0.038 0.000 0.908 -324 L HN 0.222 nan 8.230 nan 0.000 0.437 -323 A N -0.825 122.051 122.820 0.093 0.000 1.902 -323 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 -323 A C 2.201 179.847 177.584 0.103 0.000 1.181 -323 A CA 1.794 53.890 52.037 0.099 0.000 0.623 -323 A CB -0.594 18.467 19.000 0.103 0.000 0.818 -323 A HN 0.572 nan 8.150 nan 0.000 0.443 -322 E N -0.438 119.816 120.200 0.090 0.000 2.110 -322 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 -322 E C 1.950 178.630 176.600 0.134 0.000 0.988 -322 E CA 1.297 57.752 56.400 0.092 0.000 0.804 -322 E CB -0.210 29.527 29.700 0.062 0.000 0.745 -322 E HN 0.432 nan 8.360 nan 0.000 0.458 -321 V N 0.417 120.430 119.914 0.165 0.000 2.427 -321 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 -321 V C 2.309 178.636 176.094 0.389 0.000 1.051 -321 V CA 1.866 64.315 62.300 0.248 0.000 1.048 -321 V CB -0.780 31.167 31.823 0.206 0.000 0.666 -321 V HN 0.392 nan 8.190 nan 0.000 0.456 -320 G N -0.442 108.554 108.800 0.328 0.000 2.443 -320 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 -320 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 -320 G C 1.617 176.622 174.900 0.174 0.000 1.131 -320 G CA 0.930 46.152 45.100 0.203 0.000 0.775 -320 G HN 0.495 nan 8.290 nan 0.000 0.547 -319 K N 0.604 121.095 120.400 0.150 0.000 2.002 -319 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 -319 K C 2.451 179.131 176.600 0.133 0.000 1.048 -319 K CA 1.657 58.013 56.287 0.115 0.000 0.930 -319 K CB -0.173 32.383 32.500 0.093 0.000 0.714 -319 K HN 0.157 nan 8.250 nan 0.000 0.438 -318 K N 0.459 120.968 120.400 0.182 0.000 2.074 -318 K HA -0.200 4.120 4.320 -0.001 0.000 0.209 -318 K C 1.856 178.588 176.600 0.221 0.000 1.048 -318 K CA 1.689 58.108 56.287 0.219 0.000 0.926 -318 K CB -0.594 32.075 32.500 0.283 0.000 0.713 -318 K HN 0.229 nan 8.250 nan 0.000 0.444 -317 F N 1.420 121.378 119.950 0.013 0.000 2.234 -317 F HA -0.049 4.478 4.527 -0.001 0.000 0.299 -317 F C 2.134 177.838 175.800 -0.161 0.000 1.087 -317 F CA 1.683 59.509 58.000 -0.290 0.000 1.340 -317 F CB -0.111 38.751 39.000 -0.230 0.000 1.031 -317 F HN 0.249 nan 8.300 nan 0.000 0.500 -316 E N -0.059 120.139 120.200 -0.003 0.000 2.152 -316 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 -316 E C 1.786 178.333 176.600 -0.087 0.000 0.983 -316 E CA 0.710 57.073 56.400 -0.062 0.000 0.818 -316 E CB 0.112 29.823 29.700 0.017 0.000 0.758 -316 E HN 0.221 nan 8.360 nan 0.000 0.467 -315 K N 0.629 121.007 120.400 -0.037 0.000 2.288 -315 K HA -0.061 4.258 4.320 -0.001 0.000 0.201 -315 K C 0.949 177.524 176.600 -0.042 0.000 1.048 -315 K CA 0.779 57.054 56.287 -0.019 0.000 0.956 -315 K CB 0.123 32.638 32.500 0.026 0.000 0.746 -315 K HN 0.142 nan 8.250 nan 0.000 0.461 -314 D N -0.640 119.706 120.400 -0.090 0.000 2.388 -314 D HA -0.014 4.625 4.640 -0.001 0.000 0.208 -314 D C 1.241 177.434 176.300 -0.178 0.000 1.035 -314 D CA 0.906 54.865 54.000 -0.069 0.000 0.875 -314 D CB 0.631 41.485 40.800 0.090 0.000 0.984 -314 D HN 0.291 nan 8.370 nan 0.000 0.508 -313 T N -4.193 110.148 114.554 -0.356 0.000 3.087 -313 T HA 0.355 4.704 4.350 -0.001 0.000 0.283 -313 T C 1.461 176.005 174.700 -0.261 0.000 0.956 -313 T CA 0.266 62.140 62.100 -0.377 0.000 0.894 -313 T CB 0.776 69.211 68.868 -0.721 0.000 1.160 -313 T HN 0.089 nan 8.240 nan 0.000 0.532 -312 G N 2.269 110.945 108.800 -0.208 0.000 2.295 -312 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.287 -312 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.287 -312 G C -0.217 174.620 174.900 -0.105 0.000 1.055 -312 G CA 0.105 45.132 45.100 -0.121 0.000 0.922 -312 G HN 0.578 nan 8.290 nan 0.000 0.503 -311 I N -0.037 120.454 120.570 -0.133 0.000 2.466 -311 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 -311 I C 0.489 176.621 176.117 0.025 0.000 1.026 -311 I CA -1.305 59.971 61.300 -0.040 0.000 1.078 -311 I CB 1.682 39.684 38.000 0.003 0.000 1.249 -311 I HN 0.040 nan 8.210 nan 0.000 0.429 -310 K N 4.726 125.137 120.400 0.018 0.000 2.379 -310 K HA 0.402 4.722 4.320 -0.001 0.000 0.284 -310 K C -0.635 175.968 176.600 0.004 0.000 1.044 -310 K CA -0.306 55.990 56.287 0.015 0.000 0.974 -310 K CB 1.336 33.839 32.500 0.005 0.000 0.962 -310 K HN 0.269 nan 8.250 nan 0.000 0.474 -309 V N 3.497 123.405 119.914 -0.009 0.000 2.357 -309 V HA 0.152 4.272 4.120 -0.001 0.000 0.284 -309 V C -0.265 175.800 176.094 -0.049 0.000 1.018 -309 V CA -0.663 61.584 62.300 -0.088 0.000 0.841 -309 V CB 1.705 33.410 31.823 -0.197 0.000 0.991 -309 V HN 0.742 nan 8.190 nan 0.000 0.437 -308 T N 4.762 119.292 114.554 -0.040 0.000 2.756 -308 T HA 0.495 4.844 4.350 -0.001 0.000 0.290 -308 T C -0.244 174.478 174.700 0.037 0.000 0.985 -308 T CA -0.357 61.749 62.100 0.011 0.000 0.955 -308 T CB 1.439 70.324 68.868 0.028 0.000 0.930 -308 T HN 0.297 nan 8.240 nan 0.000 0.451 -307 V N 4.494 124.445 119.914 0.061 0.000 2.350 -307 V HA 0.389 4.508 4.120 -0.001 0.000 0.276 -307 V C 0.125 176.283 176.094 0.106 0.000 1.028 -307 V CA -0.576 61.784 62.300 0.101 0.000 0.860 -307 V CB 1.112 33.001 31.823 0.109 0.000 0.990 -307 V HN 0.843 nan 8.190 nan 0.000 0.453 -306 E N 2.918 123.189 120.200 0.118 0.000 2.256 -306 E HA 0.545 4.894 4.350 -0.001 0.000 0.267 -306 E C -1.146 175.394 176.600 -0.100 0.000 0.892 -306 E CA -0.806 55.581 56.400 -0.022 0.000 0.775 -306 E CB 2.106 31.795 29.700 -0.018 0.000 1.207 -306 E HN 0.975 nan 8.360 nan 0.000 0.420 -305 H N -0.321 118.548 119.070 -0.336 0.000 2.423 -305 H HA 0.409 4.965 4.556 -0.001 0.000 0.237 -305 H C -2.737 172.369 175.328 -0.370 0.000 1.391 -305 H CA -2.410 53.410 56.048 -0.379 0.000 1.453 -305 H CB -0.156 29.257 29.762 -0.582 0.000 1.484 -305 H HN 0.138 nan 8.280 nan 0.000 0.505 -304 P HA 0.081 nan 4.420 nan 0.000 0.275 -304 P C -0.102 177.020 177.300 -0.297 0.000 1.228 -304 P CA -0.363 62.448 63.100 -0.482 0.000 0.786 -304 P CB 0.942 32.181 31.700 -0.769 0.000 0.927 -303 D N 2.654 122.917 120.400 -0.227 0.000 2.488 -303 D HA -0.043 4.596 4.640 -0.001 0.000 0.238 -303 D C 0.543 176.750 176.300 -0.155 0.000 1.138 -303 D CA 0.449 54.364 54.000 -0.143 0.000 0.873 -303 D CB 0.240 40.972 40.800 -0.113 0.000 1.183 -303 D HN 0.393 nan 8.370 nan 0.000 0.458 -302 K N 0.999 121.334 120.400 -0.108 0.000 3.077 -302 K HA -0.224 4.096 4.320 -0.001 0.000 0.264 -302 K C 1.254 177.746 176.600 -0.181 0.000 1.008 -302 K CA 0.029 56.242 56.287 -0.124 0.000 0.740 -302 K CB -1.378 31.064 32.500 -0.097 0.000 1.273 -302 K HN 0.382 nan 8.250 nan 0.000 0.477 -301 L N -0.474 120.625 121.223 -0.207 0.000 2.265 -301 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 -301 L C 2.230 179.013 176.870 -0.145 0.000 1.117 -301 L CA 1.949 56.673 54.840 -0.193 0.000 0.782 -301 L CB -0.442 41.519 42.059 -0.163 0.000 0.914 -301 L HN 0.270 nan 8.230 nan 0.000 0.441 -300 E N 0.941 120.857 120.200 -0.472 0.000 2.274 -300 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 -300 E C 1.367 177.876 176.600 -0.152 0.000 0.996 -300 E CA 1.526 57.558 56.400 -0.613 0.000 0.840 -300 E CB -0.238 28.517 29.700 -1.576 0.000 0.772 -300 E HN 0.802 nan 8.360 nan 0.000 0.491 -299 E N 0.089 120.234 120.200 -0.091 0.000 2.465 -299 E HA 0.107 4.457 4.350 -0.001 0.000 0.209 -299 E C 1.714 178.341 176.600 0.046 0.000 0.951 -299 E CA -0.023 56.391 56.400 0.023 0.000 0.997 -299 E CB 0.412 30.116 29.700 0.006 0.000 1.025 -299 E HN 0.129 nan 8.360 nan 0.000 0.500 -298 K N 0.391 120.814 120.400 0.037 0.000 2.057 -298 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 -298 K C 1.763 178.494 176.600 0.218 0.000 1.050 -298 K CA 0.966 57.303 56.287 0.083 0.000 0.935 -298 K CB -0.087 32.406 32.500 -0.011 0.000 0.715 -298 K HN 0.043 nan 8.250 nan 0.000 0.439 -297 F N 2.564 122.593 119.950 0.131 0.000 2.025 -297 F HA -0.174 4.352 4.527 -0.001 0.000 0.297 -297 F C -1.235 174.497 175.800 -0.114 0.000 1.132 -297 F CA 1.622 59.624 58.000 0.003 0.000 1.191 -297 F CB -1.032 37.792 39.000 -0.293 0.000 0.963 -297 F HN 0.101 nan 8.300 nan 0.000 0.481 -296 P HA -0.213 nan 4.420 nan 0.000 0.216 -296 P C 1.207 178.418 177.300 -0.148 0.000 1.150 -296 P CA 1.886 64.907 63.100 -0.132 0.000 0.843 -296 P CB -0.298 31.482 31.700 0.133 0.000 0.787 -295 Q N -0.269 119.456 119.800 -0.124 0.000 2.049 -295 Q HA -0.053 4.286 4.340 -0.001 0.000 0.198 -295 Q C 2.346 178.252 176.000 -0.156 0.000 0.971 -295 Q CA 1.713 57.428 55.803 -0.145 0.000 0.833 -295 Q CB -1.138 27.532 28.738 -0.113 0.000 0.896 -295 Q HN 0.315 nan 8.270 nan 0.000 0.434 -294 V N -1.489 118.335 119.914 -0.151 0.000 2.951 -294 V HA 0.172 4.292 4.120 -0.001 0.000 0.255 -294 V C 2.236 178.157 176.094 -0.287 0.000 1.088 -294 V CA 1.205 63.419 62.300 -0.143 0.000 1.109 -294 V CB -0.654 31.188 31.823 0.031 0.000 0.724 -294 V HN 0.179 nan 8.190 nan 0.000 0.471 -293 A N 1.263 123.762 122.820 -0.535 0.000 1.917 -293 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 -293 A C 2.214 179.543 177.584 -0.425 0.000 1.182 -293 A CA 2.289 53.879 52.037 -0.746 0.000 0.633 -293 A CB -1.015 17.108 19.000 -1.462 0.000 0.819 -293 A HN 1.287 nan 8.150 nan 0.000 0.448 -292 A N -0.606 122.017 122.820 -0.329 0.000 2.359 -292 A HA 0.364 4.684 4.320 -0.001 0.000 0.240 -292 A C 1.395 178.940 177.584 -0.064 0.000 1.306 -292 A CA 1.176 53.105 52.037 -0.180 0.000 0.898 -292 A CB -0.833 17.995 19.000 -0.286 0.000 0.956 -292 A HN 0.776 nan 8.150 nan 0.000 0.497 -291 T N -5.839 108.651 114.554 -0.107 0.000 3.091 -291 T HA 0.404 4.753 4.350 -0.001 0.000 0.277 -291 T C 1.246 175.946 174.700 0.001 0.000 0.996 -291 T CA 0.943 63.029 62.100 -0.023 0.000 0.897 -291 T CB -0.034 68.770 68.868 -0.107 0.000 1.109 -291 T HN 1.532 nan 8.240 nan 0.000 0.534 -290 G N 1.519 110.292 108.800 -0.046 0.000 2.203 -290 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.263 -290 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.263 -290 G C 0.281 175.156 174.900 -0.042 0.000 1.012 -290 G CA 0.598 45.670 45.100 -0.047 0.000 0.749 -290 G HN 0.564 nan 8.290 nan 0.000 0.512 -289 D N -0.604 119.764 120.400 -0.053 0.000 2.454 -289 D HA 0.288 4.927 4.640 -0.001 0.000 0.214 -289 D C 1.830 178.104 176.300 -0.044 0.000 1.088 -289 D CA 0.799 54.796 54.000 -0.005 0.000 0.855 -289 D CB 0.037 40.856 40.800 0.033 0.000 1.025 -289 D HN 0.582 nan 8.370 nan 0.000 0.502 -288 G N 1.511 110.173 108.800 -0.229 0.000 2.636 -288 G HA2 0.359 4.318 3.960 -0.001 0.000 0.246 -288 G HA3 0.359 4.318 3.960 -0.001 0.000 0.246 -288 G C -2.233 172.294 174.900 -0.622 0.000 1.216 -288 G CA -0.720 44.027 45.100 -0.589 0.000 0.854 -288 G HN -0.041 nan 8.290 nan 0.000 0.572 -287 P HA 0.266 nan 4.420 nan 0.000 0.282 -287 P C -0.154 176.959 177.300 -0.311 0.000 1.287 -287 P CA -0.492 62.207 63.100 -0.668 0.000 0.792 -287 P CB 1.765 32.880 31.700 -0.974 0.000 1.163 -286 D N -0.654 119.635 120.400 -0.185 0.000 2.183 -286 D HA 0.119 4.758 4.640 -0.001 0.000 0.205 -286 D C 0.535 176.796 176.300 -0.065 0.000 0.962 -286 D CA 1.314 55.252 54.000 -0.104 0.000 0.849 -286 D CB 0.373 41.123 40.800 -0.083 0.000 0.978 -286 D HN 0.304 nan 8.370 nan 0.000 0.488 -285 I N 1.210 121.749 120.570 -0.051 0.000 2.499 -285 I HA 0.305 4.475 4.170 -0.001 0.000 0.288 -285 I C -0.707 175.422 176.117 0.021 0.000 1.048 -285 I CA -0.634 60.663 61.300 -0.006 0.000 1.062 -285 I CB 3.156 41.198 38.000 0.070 0.000 1.238 -285 I HN -0.204 nan 8.210 nan 0.000 0.426 -284 I N 5.720 126.242 120.570 -0.080 0.000 2.404 -284 I HA 0.478 4.648 4.170 -0.001 0.000 0.293 -284 I C -1.349 174.819 176.117 0.085 0.000 0.992 -284 I CA -0.453 60.832 61.300 -0.024 0.000 1.149 -284 I CB 1.159 38.853 38.000 -0.510 0.000 1.315 -284 I HN 0.334 nan 8.210 nan 0.000 0.446 -283 F N 7.916 128.011 119.950 0.242 0.000 2.404 -283 F HA 0.491 5.017 4.527 -0.001 0.000 0.354 -283 F C -0.328 175.722 175.800 0.418 0.000 1.122 -283 F CA -0.112 58.056 58.000 0.281 0.000 1.080 -283 F CB 1.077 40.189 39.000 0.187 0.000 1.131 -283 F HN 0.448 nan 8.300 nan 0.000 0.471 -282 W N 1.987 123.467 121.300 0.301 0.000 2.959 -282 W HA 0.665 5.324 4.660 -0.001 0.000 0.358 -282 W C -1.358 175.182 176.519 0.035 0.000 1.228 -282 W CA -1.225 56.238 57.345 0.197 0.000 1.183 -282 W CB 1.542 31.187 29.460 0.308 0.000 1.467 -282 W HN 0.578 nan 8.180 nan 0.000 0.578 -281 A N 1.846 124.400 122.820 -0.442 0.000 2.425 -281 A HA 0.079 4.398 4.320 -0.001 0.000 0.242 -281 A C 1.296 178.829 177.584 -0.085 0.000 1.077 -281 A CA 0.656 52.520 52.037 -0.288 0.000 0.781 -281 A CB -0.114 18.602 19.000 -0.473 0.000 1.020 -281 A HN 0.766 nan 8.150 nan 0.000 0.494 -280 H N 1.097 120.055 119.070 -0.187 0.000 2.543 -280 H HA -0.147 4.408 4.556 -0.001 0.000 0.286 -280 H C 0.888 176.222 175.328 0.011 0.000 1.037 -280 H CA 1.440 57.353 56.048 -0.226 0.000 1.250 -280 H CB -0.336 29.320 29.762 -0.176 0.000 1.373 -280 H HN 0.818 nan 8.280 nan 0.000 0.580 -279 D N 1.374 121.526 120.400 -0.414 0.000 2.144 -279 D HA -0.159 4.481 4.640 -0.001 0.000 0.200 -279 D C 1.866 178.143 176.300 -0.039 0.000 0.978 -279 D CA 0.370 54.224 54.000 -0.242 0.000 0.833 -279 D CB -0.325 40.362 40.800 -0.189 0.000 0.961 -279 D HN 0.232 nan 8.370 nan 0.000 0.470 -278 R N -0.575 119.975 120.500 0.083 0.000 2.276 -278 R HA 0.050 4.389 4.340 -0.001 0.000 0.203 -278 R C 1.706 177.682 176.300 -0.541 0.000 1.017 -278 R CA 0.057 56.012 56.100 -0.242 0.000 1.010 -278 R CB -0.496 29.602 30.300 -0.338 0.000 0.900 -278 R HN 0.256 nan 8.270 nan 0.000 0.469 -277 F N -0.105 119.647 119.950 -0.330 0.000 2.456 -277 F HA 0.088 4.615 4.527 -0.001 0.000 0.298 -277 F C 2.371 178.005 175.800 -0.277 0.000 1.104 -277 F CA 0.733 58.633 58.000 -0.166 0.000 1.435 -277 F CB -0.665 38.352 39.000 0.029 0.000 1.078 -277 F HN 0.076 nan 8.300 nan 0.000 0.546 -276 G N -0.033 108.613 108.800 -0.257 0.000 2.433 -276 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.216 -276 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.216 -276 G C 2.115 176.692 174.900 -0.539 0.000 1.186 -276 G CA 0.842 45.495 45.100 -0.745 0.000 0.779 -276 G HN 0.462 nan 8.290 nan 0.000 0.543 -275 G N -0.044 108.541 108.800 -0.358 0.000 2.440 -275 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 -275 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 -275 G C 1.655 176.496 174.900 -0.097 0.000 1.154 -275 G CA 1.171 46.131 45.100 -0.233 0.000 0.767 -275 G HN 0.398 nan 8.290 nan 0.000 0.552 -274 Y N 1.255 121.495 120.300 -0.100 0.000 2.181 -274 Y HA 0.066 4.616 4.550 -0.001 0.000 0.288 -274 Y C 3.114 178.996 175.900 -0.031 0.000 1.146 -274 Y CA 0.212 58.282 58.100 -0.050 0.000 1.164 -274 Y CB -1.070 37.293 38.460 -0.162 0.000 0.982 -274 Y HN 0.274 nan 8.280 nan 0.000 0.515 -273 A N -0.439 122.421 122.820 0.066 0.000 1.898 -273 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 -273 A C 2.114 179.743 177.584 0.074 0.000 1.181 -273 A CA 1.696 53.769 52.037 0.060 0.000 0.620 -273 A CB -0.697 18.312 19.000 0.015 0.000 0.819 -273 A HN 0.358 nan 8.150 nan 0.000 0.442 -272 Q N 0.174 119.988 119.800 0.024 0.000 2.437 -272 Q HA 0.019 4.358 4.340 -0.001 0.000 0.210 -272 Q C 1.631 177.698 176.000 0.112 0.000 0.972 -272 Q CA 1.349 57.201 55.803 0.081 0.000 0.903 -272 Q CB -0.295 28.471 28.738 0.046 0.000 0.967 -272 Q HN 0.568 nan 8.270 nan 0.000 0.486 -271 S N -1.207 114.573 115.700 0.134 0.000 2.575 -271 S HA 0.231 4.700 4.470 -0.001 0.000 0.215 -271 S C 0.901 175.655 174.600 0.257 0.000 0.966 -271 S CA 0.389 58.710 58.200 0.201 0.000 0.911 -271 S CB 0.335 63.662 63.200 0.212 0.000 0.780 -271 S HN 0.567 nan 8.310 nan 0.000 0.514 -270 G N 1.665 110.566 108.800 0.168 0.000 2.295 -270 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.287 -270 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.287 -270 G C 0.387 175.341 174.900 0.089 0.000 1.055 -270 G CA 0.387 45.544 45.100 0.095 0.000 0.922 -270 G HN 0.526 nan 8.290 nan 0.000 0.503 -269 L N -1.562 119.724 121.223 0.105 0.000 2.556 -269 L HA 0.385 4.724 4.340 -0.001 0.000 0.226 -269 L C 1.240 178.147 176.870 0.061 0.000 1.089 -269 L CA 0.170 55.039 54.840 0.048 0.000 0.864 -269 L CB 0.102 42.173 42.059 0.021 0.000 1.067 -269 L HN 0.235 nan 8.230 nan 0.000 0.477 -268 L N 0.145 121.413 121.223 0.075 0.000 2.317 -268 L HA 0.620 4.959 4.340 -0.001 0.000 0.281 -268 L C 0.290 177.188 176.870 0.046 0.000 1.024 -268 L CA -0.612 54.266 54.840 0.064 0.000 0.810 -268 L CB 1.496 43.600 42.059 0.075 0.000 1.240 -268 L HN -0.119 nan 8.230 nan 0.000 0.427 -267 A N 2.086 124.929 122.820 0.039 0.000 2.371 -267 A HA 0.367 4.686 4.320 -0.001 0.000 0.257 -267 A C 0.036 177.648 177.584 0.046 0.000 1.089 -267 A CA -0.475 51.580 52.037 0.030 0.000 0.794 -267 A CB 0.141 19.157 19.000 0.027 0.000 1.029 -267 A HN 0.818 nan 8.150 nan 0.000 0.488 -266 E N 1.452 121.674 120.200 0.036 0.000 2.338 -266 E HA 0.419 4.769 4.350 -0.001 0.000 0.272 -266 E C -0.252 176.359 176.600 0.018 0.000 1.029 -266 E CA -0.550 55.870 56.400 0.034 0.000 0.872 -266 E CB 0.551 30.269 29.700 0.030 0.000 1.015 -266 E HN 0.603 nan 8.360 nan 0.000 0.417 -265 I N 0.484 121.046 120.570 -0.014 0.000 2.428 -265 I HA 0.301 4.470 4.170 -0.001 0.000 0.289 -265 I C -0.132 175.960 176.117 -0.041 0.000 1.019 -265 I CA -0.484 60.782 61.300 -0.056 0.000 1.351 -265 I CB 1.563 39.382 38.000 -0.303 0.000 1.412 -265 I HN 0.563 nan 8.210 nan 0.000 0.513 -264 T N 3.269 117.831 114.554 0.012 0.000 3.427 -264 T HA 0.496 4.845 4.350 -0.001 0.000 0.306 -264 T C -2.337 172.394 174.700 0.052 0.000 1.733 -264 T CA -1.315 60.792 62.100 0.012 0.000 1.599 -264 T CB -0.119 68.759 68.868 0.015 0.000 0.964 -264 T HN 0.591 nan 8.240 nan 0.000 0.701 -263 P HA 0.356 nan 4.420 nan 0.000 0.284 -263 P C -0.429 176.923 177.300 0.086 0.000 1.253 -263 P CA -0.312 62.894 63.100 0.176 0.000 0.800 -263 P CB 0.976 32.929 31.700 0.423 0.000 0.961 -262 D N 0.723 121.192 120.400 0.115 0.000 2.360 -262 D HA 0.041 4.681 4.640 -0.001 0.000 0.242 -262 D C 1.276 177.612 176.300 0.061 0.000 1.184 -262 D CA -0.486 53.554 54.000 0.066 0.000 0.930 -262 D CB 0.860 41.702 40.800 0.071 0.000 1.161 -262 D HN 0.182 nan 8.370 nan 0.000 0.447 -261 K N 0.575 120.980 120.400 0.009 0.000 2.044 -261 K HA -0.286 4.034 4.320 -0.001 0.000 0.210 -261 K C 2.027 178.641 176.600 0.024 0.000 1.049 -261 K CA 1.559 57.836 56.287 -0.018 0.000 0.927 -261 K CB -0.648 31.839 32.500 -0.023 0.000 0.713 -261 K HN 0.614 nan 8.250 nan 0.000 0.443 -260 A N 0.548 123.405 122.820 0.061 0.000 1.927 -260 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 -260 A C 2.042 179.717 177.584 0.151 0.000 1.185 -260 A CA 1.782 53.872 52.037 0.088 0.000 0.639 -260 A CB -0.799 18.256 19.000 0.092 0.000 0.820 -260 A HN 0.520 nan 8.150 nan 0.000 0.451 -259 F N 0.318 120.303 119.950 0.058 0.000 2.234 -259 F HA -0.106 4.421 4.527 -0.001 0.000 0.296 -259 F C 2.558 178.475 175.800 0.195 0.000 1.089 -259 F CA 1.517 59.588 58.000 0.119 0.000 1.343 -259 F CB -0.153 38.942 39.000 0.158 0.000 1.040 -259 F HN 0.295 nan 8.300 nan 0.000 0.498 -258 Q N -0.186 119.641 119.800 0.045 0.000 2.234 -258 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 -258 Q C 1.133 177.152 176.000 0.031 0.000 0.980 -258 Q CA 1.495 57.254 55.803 -0.074 0.000 0.869 -258 Q CB -0.340 28.168 28.738 -0.383 0.000 0.912 -258 Q HN 0.489 nan 8.270 nan 0.000 0.436 -257 D N 0.466 120.852 120.400 -0.023 0.000 2.363 -257 D HA -0.032 4.607 4.640 -0.001 0.000 0.226 -257 D C 1.096 177.362 176.300 -0.058 0.000 1.020 -257 D CA 0.612 54.602 54.000 -0.016 0.000 0.892 -257 D CB 0.205 40.996 40.800 -0.014 0.000 0.900 -257 D HN 0.226 nan 8.370 nan 0.000 0.531 -256 K N -0.143 120.178 120.400 -0.131 0.000 2.361 -256 K HA 0.152 4.471 4.320 -0.001 0.000 0.196 -256 K C 0.576 177.020 176.600 -0.260 0.000 1.039 -256 K CA 0.298 56.461 56.287 -0.206 0.000 1.001 -256 K CB 0.715 33.045 32.500 -0.283 0.000 0.795 -256 K HN 0.042 nan 8.250 nan 0.000 0.495 -255 L N 0.931 122.043 121.223 -0.186 0.000 2.346 -255 L HA 0.348 4.688 4.340 -0.001 0.000 0.274 -255 L C -0.477 176.323 176.870 -0.117 0.000 1.007 -255 L CA -1.371 53.311 54.840 -0.263 0.000 0.818 -255 L CB 0.862 42.616 42.059 -0.508 0.000 1.284 -255 L HN -0.080 nan 8.230 nan 0.000 0.424 -254 Y N 2.462 122.719 120.300 -0.072 0.000 2.811 -254 Y HA -0.028 4.521 4.550 -0.001 0.000 0.334 -254 Y C -1.387 174.558 175.900 0.076 0.000 1.247 -254 Y CA -0.895 57.224 58.100 0.031 0.000 1.526 -254 Y CB -0.025 38.472 38.460 0.062 0.000 1.284 -254 Y HN 0.440 nan 8.280 nan 0.000 0.586 -253 P HA -0.142 nan 4.420 nan 0.000 0.223 -253 P C 1.287 178.770 177.300 0.305 0.000 1.151 -253 P CA 1.135 64.466 63.100 0.384 0.000 0.787 -253 P CB -0.103 31.759 31.700 0.272 0.000 0.788 -252 F N 0.232 120.272 119.950 0.150 0.000 2.367 -252 F HA -0.058 4.468 4.527 -0.001 0.000 0.298 -252 F C 1.809 177.621 175.800 0.019 0.000 1.094 -252 F CA 1.391 59.430 58.000 0.066 0.000 1.409 -252 F CB -1.664 37.344 39.000 0.013 0.000 1.064 -252 F HN -0.149 nan 8.300 nan 0.000 0.528 -251 T N -2.614 111.382 114.554 -0.929 0.000 2.777 -251 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 -251 T C 1.658 176.105 174.700 -0.422 0.000 1.040 -251 T CA 1.287 62.880 62.100 -0.845 0.000 1.141 -251 T CB -1.335 67.068 68.868 -0.775 0.000 0.868 -251 T HN 0.579 nan 8.240 nan 0.000 0.444 -250 W N 2.181 123.366 121.300 -0.193 0.000 2.318 -250 W HA -0.076 4.584 4.660 -0.001 0.000 0.313 -250 W C 2.289 178.759 176.519 -0.082 0.000 1.221 -250 W CA 0.691 57.971 57.345 -0.108 0.000 1.266 -250 W CB -0.396 29.026 29.460 -0.062 0.000 1.150 -250 W HN 0.215 nan 8.180 nan 0.000 0.496 -249 D N 0.005 120.509 120.400 0.172 0.000 2.149 -249 D HA -0.229 4.411 4.640 -0.001 0.000 0.194 -249 D C 2.144 178.474 176.300 0.050 0.000 1.001 -249 D CA 2.066 56.135 54.000 0.114 0.000 0.849 -249 D CB -0.867 40.008 40.800 0.126 0.000 0.939 -249 D HN 0.168 nan 8.370 nan 0.000 0.449 -248 A N 0.307 123.087 122.820 -0.067 0.000 2.014 -248 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 -248 A C 2.053 179.580 177.584 -0.095 0.000 1.163 -248 A CA 1.247 53.163 52.037 -0.200 0.000 0.652 -248 A CB -0.215 18.490 19.000 -0.492 0.000 0.808 -248 A HN 0.235 nan 8.150 nan 0.000 0.449 -247 V N -2.801 117.092 119.914 -0.036 0.000 3.421 -247 V HA 0.359 4.478 4.120 -0.001 0.000 0.316 -247 V C 0.497 176.673 176.094 0.137 0.000 1.347 -247 V CA -0.200 62.116 62.300 0.026 0.000 1.183 -247 V CB -1.032 30.767 31.823 -0.040 0.000 1.092 -247 V HN 0.388 nan 8.190 nan 0.000 0.433 -246 R N 0.724 121.317 120.500 0.155 0.000 2.338 -246 R HA 0.550 4.890 4.340 -0.001 0.000 0.317 -246 R C -1.740 174.701 176.300 0.235 0.000 0.968 -246 R CA -0.714 55.488 56.100 0.170 0.000 0.849 -246 R CB 1.351 31.727 30.300 0.127 0.000 1.128 -246 R HN 0.498 nan 8.270 nan 0.000 0.448 -245 Y N 4.365 124.725 120.300 0.100 0.000 2.421 -245 Y HA 0.187 4.737 4.550 -0.001 0.000 0.339 -245 Y C -0.097 175.851 175.900 0.079 0.000 0.996 -245 Y CA -0.878 57.284 58.100 0.104 0.000 1.046 -245 Y CB 1.476 40.009 38.460 0.121 0.000 1.226 -245 Y HN 0.825 nan 8.280 nan 0.000 0.445 -244 N N 4.035 122.377 118.700 -0.596 0.000 2.696 -244 N HA -0.244 4.495 4.740 -0.001 0.000 0.249 -244 N C 0.863 176.309 175.510 -0.108 0.000 1.090 -244 N CA 1.668 54.505 53.050 -0.353 0.000 0.716 -244 N CB -0.834 37.485 38.487 -0.281 0.000 1.020 -244 N HN 1.423 nan 8.380 nan 0.000 0.548 -243 G N -1.158 107.605 108.800 -0.062 0.000 2.168 -243 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.263 -243 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.263 -243 G C 0.032 174.939 174.900 0.012 0.000 0.977 -243 G CA 1.057 46.146 45.100 -0.017 0.000 0.659 -243 G HN 0.421 nan 8.290 nan 0.000 0.533 -242 K N -0.254 120.176 120.400 0.048 0.000 2.156 -242 K HA 0.655 4.974 4.320 -0.001 0.000 0.250 -242 K C 0.292 176.945 176.600 0.089 0.000 0.955 -242 K CA -0.880 55.446 56.287 0.065 0.000 0.855 -242 K CB 1.799 34.355 32.500 0.093 0.000 1.101 -242 K HN 0.165 nan 8.250 nan 0.000 0.434 -241 L N 3.315 124.575 121.223 0.060 0.000 2.276 -241 L HA 0.315 4.654 4.340 -0.001 0.000 0.286 -241 L C 1.405 178.326 176.870 0.085 0.000 1.061 -241 L CA -0.175 54.711 54.840 0.078 0.000 0.807 -241 L CB 0.457 42.534 42.059 0.030 0.000 1.177 -241 L HN 0.648 nan 8.230 nan 0.000 0.429 -240 I N -0.096 120.554 120.570 0.134 0.000 4.187 -240 I HA 0.516 4.686 4.170 -0.001 0.000 0.326 -240 I C 0.635 176.864 176.117 0.187 0.000 1.302 -240 I CA -0.050 61.354 61.300 0.173 0.000 1.196 -240 I CB 0.484 38.638 38.000 0.256 0.000 1.095 -240 I HN 0.492 nan 8.210 nan 0.000 0.411 -239 A N 0.051 122.930 122.820 0.098 0.000 2.567 -239 A HA 0.730 5.049 4.320 -0.001 0.000 0.289 -239 A C -1.986 175.528 177.584 -0.117 0.000 1.177 -239 A CA -0.461 51.602 52.037 0.043 0.000 0.694 -239 A CB 0.646 19.643 19.000 -0.004 0.000 1.292 -239 A HN 0.154 nan 8.150 nan 0.000 0.425 -238 Y N 0.920 121.217 120.300 -0.006 0.000 2.328 -238 Y HA 0.464 5.014 4.550 -0.001 0.000 0.337 -238 Y C -2.061 173.699 175.900 -0.234 0.000 1.008 -238 Y CA -2.050 56.004 58.100 -0.075 0.000 1.129 -238 Y CB 1.499 39.955 38.460 -0.008 0.000 1.185 -238 Y HN 0.388 nan 8.280 nan 0.000 0.476 -237 P HA 0.103 nan 4.420 nan 0.000 0.280 -237 P C -0.071 177.106 177.300 -0.204 0.000 1.244 -237 P CA 0.092 63.004 63.100 -0.313 0.000 0.784 -237 P CB 1.614 32.998 31.700 -0.527 0.000 0.913 -236 I N 1.552 122.058 120.570 -0.106 0.000 3.341 -236 I HA 0.329 4.498 4.170 -0.001 0.000 0.243 -236 I C 1.165 177.276 176.117 -0.010 0.000 1.094 -236 I CA 0.367 61.664 61.300 -0.005 0.000 1.507 -236 I CB -1.150 36.925 38.000 0.125 0.000 1.441 -236 I HN 0.343 nan 8.210 nan 0.000 0.465 -235 A N 0.342 123.158 122.820 -0.006 0.000 2.594 -235 A HA 0.699 5.018 4.320 -0.001 0.000 0.291 -235 A C -1.352 176.237 177.584 0.008 0.000 1.105 -235 A CA -0.371 51.678 52.037 0.019 0.000 0.694 -235 A CB 1.741 20.777 19.000 0.061 0.000 1.291 -235 A HN -0.124 nan 8.150 nan 0.000 0.410 -234 V N 1.737 121.681 119.914 0.049 0.000 2.347 -234 V HA 0.373 4.492 4.120 -0.001 0.000 0.280 -234 V C -0.274 175.895 176.094 0.126 0.000 1.021 -234 V CA -0.291 62.064 62.300 0.092 0.000 0.847 -234 V CB 0.957 32.878 31.823 0.165 0.000 0.990 -234 V HN 0.904 nan 8.190 nan 0.000 0.444 -233 E N 3.297 123.591 120.200 0.157 0.000 2.214 -233 E HA 0.842 5.192 4.350 -0.001 0.000 0.274 -233 E C -0.376 176.370 176.600 0.242 0.000 0.977 -233 E CA -0.678 55.849 56.400 0.211 0.000 0.827 -233 E CB 2.200 32.086 29.700 0.309 0.000 1.130 -233 E HN 0.806 nan 8.360 nan 0.000 0.394 -232 A N 2.674 125.612 122.820 0.197 0.000 2.513 -232 A HA 0.367 4.687 4.320 -0.001 0.000 0.296 -232 A C -0.948 176.691 177.584 0.092 0.000 1.052 -232 A CA -0.766 51.377 52.037 0.177 0.000 0.714 -232 A CB 0.759 19.843 19.000 0.139 0.000 1.279 -232 A HN 0.545 nan 8.150 nan 0.000 0.397 -231 L N 1.901 123.161 121.223 0.060 0.000 2.485 -231 L HA 0.351 4.690 4.340 -0.001 0.000 0.275 -231 L C 0.542 177.424 176.870 0.020 0.000 1.207 -231 L CA 0.278 55.119 54.840 0.002 0.000 0.855 -231 L CB 0.918 42.942 42.059 -0.059 0.000 1.114 -231 L HN 0.796 nan 8.230 nan 0.000 0.485 -230 S N 2.204 117.920 115.700 0.026 0.000 2.704 -230 S HA 0.566 5.035 4.470 -0.001 0.000 0.296 -230 S C -0.981 173.624 174.600 0.008 0.000 1.138 -230 S CA -0.698 57.528 58.200 0.043 0.000 0.875 -230 S CB 2.049 65.318 63.200 0.115 0.000 1.151 -230 S HN 0.378 nan 8.310 nan 0.000 0.500 -229 L N 2.110 123.331 121.223 -0.003 0.000 2.260 -229 L HA 0.562 4.901 4.340 -0.001 0.000 0.289 -229 L C -1.364 175.540 176.870 0.056 0.000 1.057 -229 L CA -0.059 54.763 54.840 -0.030 0.000 0.811 -229 L CB -0.166 41.842 42.059 -0.086 0.000 1.184 -229 L HN 0.521 nan 8.230 nan 0.000 0.429 -228 I N 6.422 126.983 120.570 -0.014 0.000 2.321 -228 I HA 0.311 4.480 4.170 -0.001 0.000 0.291 -228 I C -0.895 175.246 176.117 0.041 0.000 0.998 -228 I CA -0.770 60.509 61.300 -0.035 0.000 1.227 -228 I CB 0.730 38.586 38.000 -0.240 0.000 1.368 -228 I HN 0.547 nan 8.210 nan 0.000 0.466 -227 Y N 3.961 124.318 120.300 0.095 0.000 2.446 -227 Y HA 0.485 5.035 4.550 -0.001 0.000 0.345 -227 Y C -0.272 175.854 175.900 0.377 0.000 0.984 -227 Y CA -1.668 56.567 58.100 0.226 0.000 1.058 -227 Y CB 0.648 39.155 38.460 0.078 0.000 1.220 -227 Y HN 0.451 nan 8.280 nan 0.000 0.455 -226 N N 3.635 122.581 118.700 0.410 0.000 2.406 -226 N HA 0.024 4.763 4.740 -0.001 0.000 0.265 -226 N C 0.489 176.070 175.510 0.118 0.000 1.203 -226 N CA 0.274 53.391 53.050 0.113 0.000 0.945 -226 N CB 0.702 39.144 38.487 -0.075 0.000 1.165 -226 N HN 0.892 nan 8.380 nan 0.000 0.485 -225 K N 2.192 122.597 120.400 0.008 0.000 2.152 -225 K HA -0.149 4.170 4.320 -0.001 0.000 0.206 -225 K C 0.429 177.069 176.600 0.068 0.000 1.048 -225 K CA 1.442 57.768 56.287 0.065 0.000 0.933 -225 K CB 0.280 32.754 32.500 -0.043 0.000 0.721 -225 K HN 0.486 nan 8.250 nan 0.000 0.447 -224 D N 0.440 120.852 120.400 0.021 0.000 2.162 -224 D HA -0.051 4.589 4.640 -0.001 0.000 0.203 -224 D C 1.605 177.914 176.300 0.015 0.000 0.967 -224 D CA 0.800 54.805 54.000 0.008 0.000 0.840 -224 D CB 0.086 40.875 40.800 -0.018 0.000 0.972 -224 D HN 0.072 nan 8.370 nan 0.000 0.482 -223 L N -0.610 120.624 121.223 0.019 0.000 2.418 -223 L HA 0.122 4.461 4.340 -0.001 0.000 0.218 -223 L C 0.072 176.973 176.870 0.053 0.000 1.125 -223 L CA 0.199 55.054 54.840 0.025 0.000 0.835 -223 L CB 0.430 42.496 42.059 0.011 0.000 0.953 -223 L HN 0.001 nan 8.230 nan 0.000 0.454 -222 L N -0.211 121.067 121.223 0.091 0.000 2.673 -222 L HA 0.313 4.653 4.340 -0.001 0.000 0.255 -222 L C -2.171 174.785 176.870 0.144 0.000 1.015 -222 L CA -0.927 53.973 54.840 0.099 0.000 0.930 -222 L CB 1.210 43.335 42.059 0.110 0.000 1.185 -222 L HN -0.296 nan 8.230 nan 0.000 0.457 -221 P HA -0.028 nan 4.420 nan 0.000 0.220 -221 P C -0.355 176.976 177.300 0.051 0.000 1.148 -221 P CA 0.899 64.055 63.100 0.092 0.000 0.803 -221 P CB 0.238 31.962 31.700 0.041 0.000 0.782 -220 N N 0.678 119.355 118.700 -0.038 0.000 2.531 -220 N HA 0.241 4.981 4.740 -0.001 0.000 0.268 -220 N C -2.670 172.684 175.510 -0.259 0.000 1.023 -220 N CA -1.617 51.345 53.050 -0.146 0.000 0.896 -220 N CB 1.447 39.876 38.487 -0.096 0.000 1.233 -220 N HN 0.102 nan 8.380 nan 0.000 0.512 -219 P HA 0.165 nan 4.420 nan 0.000 0.268 -219 P C -2.512 174.596 177.300 -0.319 0.000 1.204 -219 P CA -0.775 61.997 63.100 -0.548 0.000 0.768 -219 P CB -0.041 31.092 31.700 -0.945 0.000 0.842 -218 P HA 0.136 nan 4.420 nan 0.000 0.276 -218 P C 0.597 177.776 177.300 -0.202 0.000 1.235 -218 P CA -0.185 62.804 63.100 -0.185 0.000 0.772 -218 P CB 0.857 32.462 31.700 -0.159 0.000 0.871 -217 K N 0.769 121.078 120.400 -0.152 0.000 2.288 -217 K HA 0.021 4.341 4.320 -0.001 0.000 0.201 -217 K C 1.169 177.697 176.600 -0.120 0.000 1.048 -217 K CA 1.043 57.251 56.287 -0.133 0.000 0.956 -217 K CB -0.363 32.079 32.500 -0.097 0.000 0.746 -217 K HN 0.666 nan 8.250 nan 0.000 0.461 -216 T N -4.510 109.979 114.554 -0.109 0.000 2.908 -216 T HA 0.302 4.651 4.350 -0.001 0.000 0.290 -216 T C 0.557 175.222 174.700 -0.059 0.000 1.034 -216 T CA -0.908 61.158 62.100 -0.056 0.000 1.010 -216 T CB 1.070 69.927 68.868 -0.018 0.000 1.068 -216 T HN 0.136 nan 8.240 nan 0.000 0.481 -215 W N 0.563 121.843 121.300 -0.033 0.000 2.402 -215 W HA 0.105 4.764 4.660 -0.001 0.000 0.286 -215 W C 2.174 178.716 176.519 0.038 0.000 1.221 -215 W CA 0.670 58.008 57.345 -0.012 0.000 1.257 -215 W CB -0.143 29.251 29.460 -0.110 0.000 1.120 -215 W HN 0.817 nan 8.180 nan 0.000 0.551 -214 E N 0.298 120.598 120.200 0.167 0.000 2.153 -214 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 -214 E C 1.843 178.577 176.600 0.224 0.000 0.988 -214 E CA 1.771 58.287 56.400 0.194 0.000 0.811 -214 E CB -0.429 29.303 29.700 0.054 0.000 0.746 -214 E HN 0.495 nan 8.360 nan 0.000 0.466 -213 E N 0.118 120.391 120.200 0.122 0.000 2.489 -213 E HA -0.003 4.347 4.350 -0.001 0.000 0.193 -213 E C 1.665 178.299 176.600 0.056 0.000 1.057 -213 E CA 0.085 56.526 56.400 0.068 0.000 0.866 -213 E CB -0.056 29.653 29.700 0.016 0.000 0.916 -213 E HN 0.274 nan 8.360 nan 0.000 0.500 -212 I N 1.688 122.316 120.570 0.097 0.000 2.252 -212 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 -212 I C -0.564 175.533 176.117 -0.032 0.000 1.102 -212 I CA 0.737 62.067 61.300 0.050 0.000 1.385 -212 I CB -1.029 37.032 38.000 0.101 0.000 1.064 -212 I HN 0.087 nan 8.210 nan 0.000 0.414 -211 P HA -0.249 nan 4.420 nan 0.000 0.216 -211 P C 1.484 178.710 177.300 -0.123 0.000 1.157 -211 P CA 2.110 64.941 63.100 -0.449 0.000 0.880 -211 P CB -0.053 31.471 31.700 -0.294 0.000 0.791 -210 A N -1.147 121.669 122.820 -0.007 0.000 1.902 -210 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 -210 A C 2.192 179.802 177.584 0.044 0.000 1.181 -210 A CA 1.493 53.554 52.037 0.041 0.000 0.623 -210 A CB -1.628 17.394 19.000 0.037 0.000 0.818 -210 A HN 0.162 nan 8.150 nan 0.000 0.443 -209 L N -0.053 121.187 121.223 0.027 0.000 2.093 -209 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 -209 L C 1.980 178.883 176.870 0.056 0.000 1.085 -209 L CA 2.489 57.348 54.840 0.031 0.000 0.755 -209 L CB -0.387 41.680 42.059 0.013 0.000 0.904 -209 L HN 0.552 nan 8.230 nan 0.000 0.435 -208 D N -0.857 119.589 120.400 0.075 0.000 2.097 -208 D HA -0.246 4.393 4.640 -0.001 0.000 0.197 -208 D C 2.223 178.619 176.300 0.160 0.000 0.984 -208 D CA 1.121 55.205 54.000 0.140 0.000 0.826 -208 D CB -0.066 40.874 40.800 0.233 0.000 0.973 -208 D HN 0.158 nan 8.370 nan 0.000 0.460 -207 K N 0.185 120.700 120.400 0.192 0.000 2.211 -207 K HA -0.214 4.105 4.320 -0.001 0.000 0.204 -207 K C 1.975 178.624 176.600 0.082 0.000 1.047 -207 K CA 1.174 57.549 56.287 0.146 0.000 0.935 -207 K CB -0.016 32.584 32.500 0.166 0.000 0.728 -207 K HN 0.290 nan 8.250 nan 0.000 0.452 -206 E N 0.210 120.452 120.200 0.071 0.000 2.076 -206 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 -206 E C 2.004 178.629 176.600 0.042 0.000 0.979 -206 E CA 0.460 56.888 56.400 0.047 0.000 0.807 -206 E CB 0.102 29.825 29.700 0.039 0.000 0.761 -206 E HN 0.237 nan 8.360 nan 0.000 0.454 -205 L N 0.841 122.095 121.223 0.051 0.000 2.156 -205 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 -205 L C 2.486 179.380 176.870 0.040 0.000 1.095 -205 L CA 0.709 55.575 54.840 0.044 0.000 0.770 -205 L CB -0.121 41.969 42.059 0.053 0.000 0.914 -205 L HN -0.008 nan 8.230 nan 0.000 0.439 -204 K N 0.087 120.515 120.400 0.048 0.000 2.103 -204 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 -204 K C 2.116 178.729 176.600 0.022 0.000 1.048 -204 K CA 1.478 57.786 56.287 0.034 0.000 0.930 -204 K CB -0.366 32.154 32.500 0.032 0.000 0.716 -204 K HN 0.310 nan 8.250 nan 0.000 0.444 -203 A N 1.344 124.178 122.820 0.023 0.000 2.019 -203 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 -203 A C 1.659 179.250 177.584 0.013 0.000 1.164 -203 A CA 1.339 53.386 52.037 0.016 0.000 0.644 -203 A CB -0.148 18.862 19.000 0.018 0.000 0.805 -203 A HN 0.228 nan 8.150 nan 0.000 0.449 -202 K N -1.200 119.209 120.400 0.015 0.000 2.446 -202 K HA 0.279 4.599 4.320 -0.001 0.000 0.203 -202 K C 0.767 177.372 176.600 0.008 0.000 1.027 -202 K CA 0.367 56.661 56.287 0.011 0.000 1.166 -202 K CB -0.005 32.502 32.500 0.011 0.000 0.869 -202 K HN 0.575 nan 8.250 nan 0.000 0.504 -201 G N 2.021 110.827 108.800 0.010 0.000 2.176 -201 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.252 -201 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.252 -201 G C -0.125 174.780 174.900 0.010 0.000 1.024 -201 G CA 0.399 45.503 45.100 0.007 0.000 0.755 -201 G HN 0.151 nan 8.290 nan 0.000 0.507 -200 K N -0.518 119.893 120.400 0.018 0.000 2.261 -200 K HA 0.830 5.150 4.320 -0.001 0.000 0.242 -200 K C 0.142 176.767 176.600 0.041 0.000 1.083 -200 K CA -0.037 56.265 56.287 0.024 0.000 0.880 -200 K CB 1.694 34.207 32.500 0.021 0.000 1.353 -200 K HN 0.662 nan 8.250 nan 0.000 0.486 -199 S N -1.577 114.156 115.700 0.056 0.000 2.570 -199 S HA 0.618 5.088 4.470 -0.001 0.000 0.286 -199 S C 0.518 175.178 174.600 0.099 0.000 1.099 -199 S CA -0.429 57.820 58.200 0.082 0.000 0.913 -199 S CB 1.878 65.128 63.200 0.084 0.000 1.085 -199 S HN 0.593 nan 8.310 nan 0.000 0.480 -198 A N 0.683 123.572 122.820 0.115 0.000 1.874 -198 A HA 0.460 4.780 4.320 -0.001 0.000 0.214 -198 A C 0.527 178.194 177.584 0.137 0.000 1.189 -198 A CA 0.942 53.045 52.037 0.110 0.000 0.615 -198 A CB -0.537 18.518 19.000 0.091 0.000 0.830 -198 A HN 1.033 nan 8.150 nan 0.000 0.443 -197 L N -0.967 120.354 121.223 0.164 0.000 2.464 -197 L HA 0.709 5.048 4.340 -0.001 0.000 0.266 -197 L C -1.221 175.803 176.870 0.257 0.000 0.965 -197 L CA -0.120 54.849 54.840 0.215 0.000 0.833 -197 L CB 1.815 44.008 42.059 0.223 0.000 1.296 -197 L HN 0.296 nan 8.230 nan 0.000 0.405 -196 M N 6.436 126.201 119.600 0.274 0.000 2.224 -196 M HA 0.554 5.033 4.480 -0.001 0.000 0.281 -196 M C -1.701 174.754 176.300 0.259 0.000 1.025 -196 M CA -0.403 55.017 55.300 0.200 0.000 0.954 -196 M CB 1.918 34.587 32.600 0.115 0.000 1.639 -196 M HN 0.605 nan 8.290 nan 0.000 0.461 -195 F N 0.727 120.679 119.950 0.003 0.000 2.654 -195 F HA 0.522 5.049 4.527 -0.001 0.000 0.308 -195 F C -0.574 175.167 175.800 -0.098 0.000 1.108 -195 F CA -1.379 56.580 58.000 -0.069 0.000 0.957 -195 F CB 0.737 39.745 39.000 0.013 0.000 1.309 -195 F HN 0.486 nan 8.300 nan 0.000 0.446 -194 N N 2.349 120.927 118.700 -0.203 0.000 2.347 -194 N HA 0.001 4.741 4.740 -0.001 0.000 0.278 -194 N C 0.270 175.720 175.510 -0.100 0.000 1.367 -194 N CA 0.386 53.283 53.050 -0.255 0.000 0.898 -194 N CB 0.293 38.459 38.487 -0.536 0.000 1.203 -194 N HN 0.831 nan 8.380 nan 0.000 0.491 -193 L N 2.097 123.233 121.223 -0.145 0.000 2.416 -193 L HA 0.010 4.349 4.340 -0.001 0.000 0.216 -193 L C 1.919 178.831 176.870 0.070 0.000 1.098 -193 L CA 0.129 54.922 54.840 -0.079 0.000 0.840 -193 L CB -0.146 41.803 42.059 -0.182 0.000 0.981 -193 L HN 0.453 nan 8.230 nan 0.000 0.462 -192 Q N 0.363 120.209 119.800 0.076 0.000 2.124 -192 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 -192 Q C 0.478 176.591 176.000 0.189 0.000 0.977 -192 Q CA 1.083 56.953 55.803 0.111 0.000 0.850 -192 Q CB -0.167 28.625 28.738 0.091 0.000 0.901 -192 Q HN 0.372 nan 8.270 nan 0.000 0.429 -191 E N 1.180 121.561 120.200 0.301 0.000 2.174 -191 E HA 0.116 4.465 4.350 -0.001 0.000 0.282 -191 E C -1.648 175.223 176.600 0.451 0.000 0.992 -191 E CA -2.120 54.513 56.400 0.389 0.000 0.803 -191 E CB 1.269 31.297 29.700 0.546 0.000 1.090 -191 E HN -0.024 nan 8.360 nan 0.000 0.396 -190 P HA -0.178 nan 4.420 nan 0.000 0.222 -190 P C 1.267 178.901 177.300 0.558 0.000 1.147 -190 P CA 0.917 64.284 63.100 0.444 0.000 0.790 -190 P CB 0.101 32.084 31.700 0.472 0.000 0.780 -189 Y N 0.225 120.677 120.300 0.252 0.000 2.207 -189 Y HA -0.170 4.379 4.550 -0.001 0.000 0.287 -189 Y C 1.933 177.911 175.900 0.130 0.000 1.156 -189 Y CA 1.543 59.710 58.100 0.112 0.000 1.182 -189 Y CB -0.947 37.318 38.460 -0.324 0.000 0.979 -189 Y HN -0.198 nan 8.280 nan 0.000 0.521 -188 F N -1.189 118.984 119.950 0.371 0.000 2.473 -188 F HA -0.025 4.501 4.527 -0.001 0.000 0.294 -188 F C 2.478 178.505 175.800 0.379 0.000 1.103 -188 F CA 1.244 59.444 58.000 0.333 0.000 1.442 -188 F CB -0.708 38.605 39.000 0.521 0.000 1.097 -188 F HN 0.039 nan 8.300 nan 0.000 0.547 -187 T N -3.214 111.684 114.554 0.573 0.000 3.067 -187 T HA -0.155 4.195 4.350 -0.001 0.000 0.257 -187 T C 1.859 176.714 174.700 0.258 0.000 1.105 -187 T CA 0.066 62.428 62.100 0.435 0.000 1.104 -187 T CB -0.686 68.390 68.868 0.346 0.000 0.925 -187 T HN 0.511 nan 8.240 nan 0.000 0.498 -186 W N 2.845 124.214 121.300 0.115 0.000 2.338 -186 W HA -0.060 4.600 4.660 -0.001 0.000 0.304 -186 W C -1.662 174.790 176.519 -0.112 0.000 1.212 -186 W CA 1.030 58.383 57.345 0.012 0.000 1.264 -186 W CB -1.133 28.371 29.460 0.074 0.000 1.142 -186 W HN 0.282 nan 8.180 nan 0.000 0.512 -185 P HA -0.248 nan 4.420 nan 0.000 0.217 -185 P C 1.766 178.902 177.300 -0.272 0.000 1.151 -185 P CA 1.855 64.860 63.100 -0.158 0.000 0.849 -185 P CB -0.451 31.248 31.700 -0.001 0.000 0.787 -184 L N -1.084 119.926 121.223 -0.354 0.000 2.095 -184 L HA -0.011 4.329 4.340 -0.001 0.000 0.204 -184 L C 2.127 178.612 176.870 -0.641 0.000 1.080 -184 L CA 1.575 56.013 54.840 -0.669 0.000 0.759 -184 L CB -1.109 40.372 42.059 -0.964 0.000 0.914 -184 L HN -0.145 nan 8.230 nan 0.000 0.439 -183 I N -0.208 120.030 120.570 -0.553 0.000 2.614 -183 I HA -0.171 3.998 4.170 -0.001 0.000 0.258 -183 I C 2.063 177.710 176.117 -0.784 0.000 1.189 -183 I CA 1.043 62.000 61.300 -0.571 0.000 1.462 -183 I CB -0.439 37.327 38.000 -0.390 0.000 1.092 -183 I HN 0.330 nan 8.210 nan 0.000 0.442 -182 A N 0.043 122.272 122.820 -0.986 0.000 2.348 -182 A HA 0.491 4.811 4.320 -0.001 0.000 0.224 -182 A C 2.258 179.608 177.584 -0.389 0.000 1.227 -182 A CA 0.646 52.160 52.037 -0.870 0.000 0.885 -182 A CB -0.231 18.026 19.000 -1.237 0.000 0.933 -182 A HN 0.306 nan 8.150 nan 0.000 0.506 -181 A N 0.251 122.893 122.820 -0.297 0.000 1.872 -181 A HA -0.103 4.216 4.320 -0.001 0.000 0.214 -181 A C 1.690 179.281 177.584 0.012 0.000 1.187 -181 A CA 1.847 53.830 52.037 -0.090 0.000 0.614 -181 A CB -0.366 18.628 19.000 -0.010 0.000 0.826 -181 A HN 0.394 nan 8.150 nan 0.000 0.442 -180 D N -2.506 117.936 120.400 0.071 0.000 2.340 -180 D HA 0.300 4.939 4.640 -0.001 0.000 0.220 -180 D C 0.898 177.212 176.300 0.023 0.000 1.039 -180 D CA 1.108 55.153 54.000 0.074 0.000 0.866 -180 D CB 0.195 41.100 40.800 0.175 0.000 0.913 -180 D HN 0.457 nan 8.370 nan 0.000 0.523 -179 G N -1.273 107.525 108.800 -0.003 0.000 3.290 -179 G HA2 0.039 3.999 3.960 -0.001 0.000 0.220 -179 G HA3 0.039 3.999 3.960 -0.001 0.000 0.220 -179 G C 0.573 175.528 174.900 0.091 0.000 0.940 -179 G CA -0.244 44.885 45.100 0.049 0.000 0.884 -179 G HN 0.416 nan 8.290 nan 0.000 0.649 -178 G N 0.164 108.927 108.800 -0.061 0.000 2.503 -178 G HA2 0.701 4.660 3.960 -0.001 0.000 0.257 -178 G HA3 0.701 4.660 3.960 -0.001 0.000 0.257 -178 G C -0.422 174.547 174.900 0.114 0.000 1.214 -178 G CA 0.020 45.042 45.100 -0.129 0.000 0.839 -178 G HN 1.364 nan 8.290 nan 0.000 0.559 -177 Y N -2.205 118.233 120.300 0.230 0.000 2.604 -177 Y HA 0.665 5.214 4.550 -0.001 0.000 0.331 -177 Y C 0.607 176.742 175.900 0.393 0.000 1.158 -177 Y CA -0.801 57.549 58.100 0.417 0.000 1.056 -177 Y CB 0.597 39.190 38.460 0.221 0.000 1.330 -177 Y HN 0.740 nan 8.280 nan 0.000 0.457 -176 A N 2.000 124.999 122.820 0.298 0.000 1.822 -176 A HA 0.245 4.564 4.320 -0.001 0.000 0.214 -176 A C -0.316 176.899 177.584 -0.614 0.000 1.245 -176 A CA 1.295 52.970 52.037 -0.603 0.000 0.608 -176 A CB -0.528 17.878 19.000 -0.989 0.000 0.896 -176 A HN 0.592 nan 8.150 nan 0.000 0.457 -175 F N -1.185 118.792 119.950 0.045 0.000 2.507 -175 F HA 0.519 5.046 4.527 -0.001 0.000 0.325 -175 F C 0.049 176.135 175.800 0.476 0.000 1.116 -175 F CA -0.967 57.164 58.000 0.218 0.000 0.930 -175 F CB 1.734 40.741 39.000 0.012 0.000 1.146 -175 F HN 0.053 nan 8.300 nan 0.000 0.447 -174 K N 2.392 123.148 120.400 0.593 0.000 2.447 -174 K HA 0.061 4.381 4.320 -0.001 0.000 0.281 -174 K C -1.272 175.533 176.600 0.342 0.000 1.031 -174 K CA 0.202 56.672 56.287 0.305 0.000 1.019 -174 K CB 0.030 32.626 32.500 0.160 0.000 0.918 -174 K HN 0.524 nan 8.250 nan 0.000 0.476 -173 Y N 3.248 123.596 120.300 0.079 0.000 2.299 -173 Y HA 0.338 4.887 4.550 -0.001 0.000 0.326 -173 Y C -0.276 175.565 175.900 -0.098 0.000 1.164 -173 Y CA 0.096 58.116 58.100 -0.133 0.000 1.234 -173 Y CB 1.056 39.375 38.460 -0.235 0.000 1.219 -173 Y HN 0.581 nan 8.280 nan 0.000 0.497 -172 E N 3.579 123.506 120.200 -0.455 0.000 2.354 -172 E HA 0.113 4.463 4.350 -0.001 0.000 0.283 -172 E C -1.049 175.302 176.600 -0.415 0.000 0.938 -172 E CA -0.591 55.636 56.400 -0.289 0.000 0.777 -172 E CB 1.488 31.091 29.700 -0.161 0.000 1.222 -172 E HN 0.754 nan 8.360 nan 0.000 0.423 -171 N N 1.348 119.891 118.700 -0.262 0.000 2.708 -171 N HA -0.245 4.494 4.740 -0.001 0.000 0.251 -171 N C 0.562 175.889 175.510 -0.306 0.000 1.017 -171 N CA 1.569 54.488 53.050 -0.219 0.000 0.742 -171 N CB -0.831 37.552 38.487 -0.174 0.000 0.943 -171 N HN 0.939 nan 8.380 nan 0.000 0.539 -170 G N -0.413 108.119 108.800 -0.447 0.000 2.221 -170 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.265 -170 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.265 -170 G C -0.020 174.551 174.900 -0.549 0.000 1.041 -170 G CA 1.346 46.212 45.100 -0.391 0.000 0.807 -170 G HN 0.950 nan 8.290 nan 0.000 0.502 -169 K N -2.000 117.801 120.400 -0.998 0.000 2.579 -169 K HA 0.652 4.971 4.320 -0.001 0.000 0.284 -169 K C -1.124 175.054 176.600 -0.703 0.000 0.990 -169 K CA -1.389 54.513 56.287 -0.642 0.000 0.880 -169 K CB 1.059 33.400 32.500 -0.265 0.000 1.488 -169 K HN 0.002 nan 8.250 nan 0.000 0.425 -168 Y N 0.710 120.951 120.300 -0.099 0.000 2.310 -168 Y HA 0.211 4.761 4.550 -0.001 0.000 0.326 -168 Y C -0.062 175.829 175.900 -0.015 0.000 1.151 -168 Y CA -0.108 58.010 58.100 0.030 0.000 1.195 -168 Y CB 1.272 39.770 38.460 0.064 0.000 1.210 -168 Y HN 0.615 nan 8.280 nan 0.000 0.483 -167 D N 3.938 124.485 120.400 0.245 0.000 2.380 -167 D HA 0.081 4.720 4.640 -0.001 0.000 0.230 -167 D C 0.953 177.414 176.300 0.269 0.000 1.154 -167 D CA -0.207 53.907 54.000 0.191 0.000 0.859 -167 D CB 0.511 41.418 40.800 0.179 0.000 1.045 -167 D HN 0.662 nan 8.370 nan 0.000 0.495 -166 I N 1.606 122.251 120.570 0.125 0.000 2.756 -166 I HA -0.081 4.088 4.170 -0.001 0.000 0.262 -166 I C 1.667 177.965 176.117 0.301 0.000 1.225 -166 I CA 0.798 62.144 61.300 0.077 0.000 1.472 -166 I CB 0.095 38.040 38.000 -0.092 0.000 1.094 -166 I HN 0.086 nan 8.210 nan 0.000 0.454 -165 K N 1.611 122.156 120.400 0.242 0.000 2.211 -165 K HA -0.021 4.299 4.320 -0.001 0.000 0.201 -165 K C 0.687 177.417 176.600 0.215 0.000 1.052 -165 K CA 0.718 57.131 56.287 0.210 0.000 0.973 -165 K CB -0.108 32.500 32.500 0.179 0.000 0.766 -165 K HN 0.333 nan 8.250 nan 0.000 0.466 -164 D N 1.116 121.672 120.400 0.261 0.000 2.347 -164 D HA 0.175 4.814 4.640 -0.001 0.000 0.235 -164 D C -1.295 175.157 176.300 0.253 0.000 1.149 -164 D CA -0.258 53.895 54.000 0.255 0.000 0.850 -164 D CB 1.030 41.996 40.800 0.276 0.000 1.061 -164 D HN -0.066 nan 8.370 nan 0.000 0.487 -163 V N 2.930 122.890 119.914 0.076 0.000 2.638 -163 V HA 0.541 4.661 4.120 -0.001 0.000 0.306 -163 V C 1.037 176.900 176.094 -0.384 0.000 1.052 -163 V CA -0.913 61.277 62.300 -0.184 0.000 0.885 -163 V CB 2.094 33.777 31.823 -0.232 0.000 0.999 -163 V HN 0.637 nan 8.190 nan 0.000 0.424 -162 G N 2.460 110.656 108.800 -1.006 0.000 3.949 -162 G HA2 0.293 4.252 3.960 -0.001 0.000 0.295 -162 G HA3 0.293 4.252 3.960 -0.001 0.000 0.295 -162 G C 0.660 175.289 174.900 -0.452 0.000 1.286 -162 G CA 0.088 44.447 45.100 -1.235 0.000 1.171 -162 G HN 0.525 nan 8.290 nan 0.000 0.586 -161 V N 0.591 120.393 119.914 -0.188 0.000 2.878 -161 V HA 0.006 4.125 4.120 -0.001 0.000 0.250 -161 V C 1.678 177.760 176.094 -0.019 0.000 1.075 -161 V CA 1.873 64.183 62.300 0.017 0.000 1.096 -161 V CB 0.405 32.267 31.823 0.065 0.000 0.724 -161 V HN 0.633 nan 8.190 nan 0.000 0.467 -160 D N -0.543 119.827 120.400 -0.051 0.000 2.623 -160 D HA 0.070 4.709 4.640 -0.001 0.000 0.252 -160 D C 0.217 176.505 176.300 -0.021 0.000 1.294 -160 D CA -0.406 53.579 54.000 -0.025 0.000 0.824 -160 D CB -0.649 40.146 40.800 -0.010 0.000 1.070 -160 D HN 0.518 nan 8.370 nan 0.000 0.487 -159 N N 0.229 118.908 118.700 -0.035 0.000 2.327 -159 N HA 0.308 5.047 4.740 -0.001 0.000 0.257 -159 N C 1.476 176.990 175.510 0.006 0.000 1.281 -159 N CA 0.010 53.060 53.050 -0.001 0.000 0.942 -159 N CB 0.310 38.812 38.487 0.025 0.000 1.199 -159 N HN -0.067 nan 8.380 nan 0.000 0.532 -158 A N -0.375 122.458 122.820 0.022 0.000 1.892 -158 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 -158 A C 2.077 179.676 177.584 0.025 0.000 1.188 -158 A CA 2.143 54.194 52.037 0.024 0.000 0.631 -158 A CB -1.775 17.241 19.000 0.027 0.000 0.822 -158 A HN 0.809 nan 8.150 nan 0.000 0.447 -157 G N -0.995 107.820 108.800 0.024 0.000 2.408 -157 G HA2 0.072 4.032 3.960 -0.001 0.000 0.217 -157 G HA3 0.072 4.032 3.960 -0.001 0.000 0.217 -157 G C 1.688 176.579 174.900 -0.014 0.000 1.150 -157 G CA 1.332 46.450 45.100 0.029 0.000 0.776 -157 G HN 0.812 nan 8.290 nan 0.000 0.542 -156 A N 0.927 123.711 122.820 -0.060 0.000 1.898 -156 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 -156 A C 2.291 179.826 177.584 -0.082 0.000 1.181 -156 A CA 1.805 53.770 52.037 -0.120 0.000 0.620 -156 A CB -0.300 18.634 19.000 -0.109 0.000 0.819 -156 A HN 0.358 nan 8.150 nan 0.000 0.442 -155 K N -0.132 120.250 120.400 -0.030 0.000 2.057 -155 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 -155 K C 2.308 178.913 176.600 0.010 0.000 1.049 -155 K CA 1.162 57.444 56.287 -0.008 0.000 0.931 -155 K CB -0.377 32.129 32.500 0.011 0.000 0.714 -155 K HN 0.429 nan 8.250 nan 0.000 0.440 -154 A N 1.320 124.170 122.820 0.050 0.000 1.908 -154 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 -154 A C 2.418 180.027 177.584 0.041 0.000 1.181 -154 A CA 2.112 54.241 52.037 0.153 0.000 0.627 -154 A CB -1.229 17.931 19.000 0.266 0.000 0.818 -154 A HN 0.458 nan 8.150 nan 0.000 0.445 -153 G N -0.704 107.980 108.800 -0.193 0.000 2.404 -153 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.215 -153 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.215 -153 G C 1.481 176.176 174.900 -0.341 0.000 1.174 -153 G CA 1.099 45.859 45.100 -0.567 0.000 0.780 -153 G HN 0.432 nan 8.290 nan 0.000 0.537 -152 L N 0.839 121.956 121.223 -0.176 0.000 2.109 -152 L HA 0.084 4.423 4.340 -0.001 0.000 0.207 -152 L C 2.990 179.831 176.870 -0.048 0.000 1.086 -152 L CA 2.082 56.865 54.840 -0.096 0.000 0.760 -152 L CB -0.783 41.245 42.059 -0.051 0.000 0.910 -152 L HN 0.169 nan 8.230 nan 0.000 0.437 -151 T N -0.587 113.960 114.554 -0.012 0.000 2.665 -151 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 -151 T C 1.670 176.390 174.700 0.033 0.000 1.035 -151 T CA 2.104 64.219 62.100 0.024 0.000 1.151 -151 T CB -0.596 68.310 68.868 0.064 0.000 0.862 -151 T HN 0.345 nan 8.240 nan 0.000 0.438 -150 F N 1.136 121.032 119.950 -0.091 0.000 2.134 -150 F HA -0.042 4.484 4.527 -0.001 0.000 0.299 -150 F C 2.007 177.747 175.800 -0.099 0.000 1.097 -150 F CA 0.810 58.760 58.000 -0.084 0.000 1.264 -150 F CB -0.402 38.498 39.000 -0.166 0.000 1.001 -150 F HN 0.025 nan 8.300 nan 0.000 0.479 -149 L N -0.352 120.839 121.223 -0.054 0.000 2.046 -149 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 -149 L C 2.253 179.072 176.870 -0.085 0.000 1.077 -149 L CA 1.460 56.256 54.840 -0.073 0.000 0.747 -149 L CB -0.793 41.230 42.059 -0.061 0.000 0.896 -149 L HN 0.026 nan 8.230 nan 0.000 0.432 -148 V N -0.246 119.626 119.914 -0.070 0.000 2.407 -148 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 -148 V C 2.191 178.242 176.094 -0.071 0.000 1.055 -148 V CA 1.915 64.183 62.300 -0.053 0.000 1.049 -148 V CB -0.781 31.023 31.823 -0.032 0.000 0.662 -148 V HN 0.479 nan 8.190 nan 0.000 0.455 -147 D N -0.032 120.297 120.400 -0.119 0.000 2.178 -147 D HA -0.130 4.510 4.640 -0.001 0.000 0.201 -147 D C 2.128 178.361 176.300 -0.113 0.000 0.980 -147 D CA 1.129 55.049 54.000 -0.134 0.000 0.842 -147 D CB -0.081 40.597 40.800 -0.205 0.000 0.948 -147 D HN 0.362 nan 8.370 nan 0.000 0.472 -146 L N 0.239 121.366 121.223 -0.160 0.000 2.093 -146 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 -146 L C 2.398 179.298 176.870 0.049 0.000 1.085 -146 L CA 0.592 55.419 54.840 -0.021 0.000 0.755 -146 L CB -0.193 41.852 42.059 -0.023 0.000 0.904 -146 L HN 0.004 nan 8.230 nan 0.000 0.435 -145 I N -0.672 119.893 120.570 -0.008 0.000 2.233 -145 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 -145 I C 2.591 178.695 176.117 -0.022 0.000 1.093 -145 I CA 1.171 62.462 61.300 -0.014 0.000 1.380 -145 I CB -0.334 37.650 38.000 -0.027 0.000 1.067 -145 I HN 0.097 nan 8.210 nan 0.000 0.413 -144 K N 0.936 121.321 120.400 -0.026 0.000 2.020 -144 K HA -0.208 4.112 4.320 -0.001 0.000 0.212 -144 K C 1.331 177.907 176.600 -0.039 0.000 1.050 -144 K CA 2.052 58.322 56.287 -0.028 0.000 0.929 -144 K CB -0.476 32.009 32.500 -0.025 0.000 0.714 -144 K HN 0.421 nan 8.250 nan 0.000 0.443 -143 N N 0.771 119.453 118.700 -0.030 0.000 2.421 -143 N HA -0.020 4.719 4.740 -0.001 0.000 0.201 -143 N C -0.576 174.760 175.510 -0.289 0.000 1.198 -143 N CA -0.043 52.949 53.050 -0.097 0.000 0.838 -143 N CB 0.340 38.841 38.487 0.024 0.000 1.011 -143 N HN 0.057 nan 8.380 nan 0.000 0.463 -142 K N -0.520 119.779 120.400 -0.168 0.000 3.341 -142 K HA -0.232 4.088 4.320 -0.001 0.000 0.305 -142 K C -0.022 176.469 176.600 -0.182 0.000 1.270 -142 K CA 0.720 56.909 56.287 -0.162 0.000 0.897 -142 K CB -1.998 30.405 32.500 -0.161 0.000 1.264 -142 K HN 0.582 nan 8.250 nan 0.000 0.468 -141 H N -0.881 118.185 119.070 -0.005 0.000 2.403 -141 H HA 0.183 4.738 4.556 -0.001 0.000 0.298 -141 H C 1.152 176.496 175.328 0.025 0.000 1.059 -141 H CA 0.927 56.985 56.048 0.016 0.000 1.363 -141 H CB 0.297 30.072 29.762 0.022 0.000 1.410 -141 H HN 0.244 nan 8.280 nan 0.000 0.528 -140 M N 0.014 119.682 119.600 0.114 0.000 2.658 -140 M HA 0.226 4.706 4.480 -0.001 0.000 0.295 -140 M C -0.308 175.992 176.300 0.000 0.000 1.248 -140 M CA -0.856 54.473 55.300 0.050 0.000 0.843 -140 M CB 2.608 35.225 32.600 0.029 0.000 1.749 -140 M HN -0.118 nan 8.290 nan 0.000 0.464 -139 N N 0.309 118.996 118.700 -0.022 0.000 2.456 -139 N HA 0.459 5.198 4.740 -0.001 0.000 0.288 -139 N C 0.136 175.616 175.510 -0.051 0.000 1.059 -139 N CA 0.015 53.046 53.050 -0.031 0.000 0.946 -139 N CB 1.945 40.417 38.487 -0.025 0.000 1.150 -139 N HN 0.793 nan 8.380 nan 0.000 0.479 -138 A N 2.729 125.524 122.820 -0.041 0.000 2.015 -138 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 -138 A C 1.321 178.880 177.584 -0.041 0.000 1.163 -138 A CA 1.248 53.258 52.037 -0.043 0.000 0.646 -138 A CB -0.114 18.870 19.000 -0.027 0.000 0.806 -138 A HN 0.704 nan 8.150 nan 0.000 0.448 -137 D N -0.246 120.134 120.400 -0.033 0.000 2.317 -137 D HA 0.008 4.648 4.640 -0.001 0.000 0.211 -137 D C 0.235 176.517 176.300 -0.029 0.000 0.966 -137 D CA 0.568 54.554 54.000 -0.023 0.000 0.876 -137 D CB -0.381 40.410 40.800 -0.015 0.000 0.927 -137 D HN 0.242 nan 8.370 nan 0.000 0.519 -136 T N 2.585 117.107 114.554 -0.053 0.000 2.708 -136 T HA 0.050 4.399 4.350 -0.001 0.000 0.271 -136 T C 0.167 174.828 174.700 -0.064 0.000 0.985 -136 T CA 0.051 62.111 62.100 -0.067 0.000 1.229 -136 T CB -0.055 68.748 68.868 -0.109 0.000 0.934 -136 T HN 0.241 nan 8.240 nan 0.000 0.522 -135 D N 1.634 122.019 120.400 -0.024 0.000 2.529 -135 D HA 0.183 4.823 4.640 -0.001 0.000 0.273 -135 D C 1.178 177.486 176.300 0.013 0.000 1.197 -135 D CA -0.945 53.062 54.000 0.013 0.000 1.070 -135 D CB 0.294 41.125 40.800 0.053 0.000 1.134 -135 D HN 0.309 nan 8.370 nan 0.000 0.590 -134 Y N 0.104 120.373 120.300 -0.052 0.000 2.081 -134 Y HA -0.261 4.289 4.550 -0.001 0.000 0.280 -134 Y C 2.540 178.441 175.900 0.000 0.000 1.163 -134 Y CA 3.003 61.069 58.100 -0.056 0.000 1.135 -134 Y CB -0.379 38.082 38.460 0.002 0.000 0.970 -134 Y HN 0.467 nan 8.280 nan 0.000 0.498 -133 S N -0.486 115.311 115.700 0.162 0.000 2.406 -133 S HA -0.160 4.309 4.470 -0.001 0.000 0.228 -133 S C 1.984 176.590 174.600 0.010 0.000 1.020 -133 S CA 1.302 59.561 58.200 0.099 0.000 0.965 -133 S CB -0.960 62.328 63.200 0.145 0.000 0.798 -133 S HN 0.536 nan 8.310 nan 0.000 0.488 -132 I N 2.136 122.708 120.570 0.003 0.000 2.179 -132 I HA -0.133 4.036 4.170 -0.001 0.000 0.242 -132 I C 2.977 179.079 176.117 -0.025 0.000 1.088 -132 I CA 1.353 62.650 61.300 -0.006 0.000 1.357 -132 I CB -0.474 37.523 38.000 -0.006 0.000 1.051 -132 I HN 0.454 nan 8.210 nan 0.000 0.409 -131 A N -0.602 122.177 122.820 -0.069 0.000 2.067 -131 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 -131 A C 2.280 179.828 177.584 -0.060 0.000 1.156 -131 A CA 1.060 53.061 52.037 -0.061 0.000 0.683 -131 A CB -0.343 18.601 19.000 -0.093 0.000 0.808 -131 A HN 0.439 nan 8.150 nan 0.000 0.455 -130 E N -0.094 120.018 120.200 -0.146 0.000 2.060 -130 E HA 0.013 4.363 4.350 -0.001 0.000 0.189 -130 E C 2.131 178.746 176.600 0.025 0.000 0.974 -130 E CA 0.704 57.041 56.400 -0.105 0.000 0.808 -130 E CB -0.124 29.432 29.700 -0.240 0.000 0.768 -130 E HN 0.486 nan 8.360 nan 0.000 0.453 -129 A N 1.193 124.020 122.820 0.011 0.000 2.019 -129 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 -129 A C 2.268 179.870 177.584 0.030 0.000 1.164 -129 A CA 1.545 53.599 52.037 0.028 0.000 0.644 -129 A CB -0.481 18.534 19.000 0.024 0.000 0.805 -129 A HN 0.369 nan 8.150 nan 0.000 0.449 -128 A N -1.107 121.737 122.820 0.040 0.000 1.873 -128 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 -128 A C 2.044 179.672 177.584 0.072 0.000 1.186 -128 A CA 1.512 53.578 52.037 0.049 0.000 0.616 -128 A CB -0.669 18.364 19.000 0.056 0.000 0.823 -128 A HN 0.642 nan 8.150 nan 0.000 0.442 -127 F N 1.109 121.041 119.950 -0.030 0.000 2.206 -127 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 -127 F C 2.029 177.805 175.800 -0.040 0.000 1.090 -127 F CA 1.910 59.894 58.000 -0.028 0.000 1.323 -127 F CB -0.279 38.701 39.000 -0.034 0.000 1.028 -127 F HN 0.307 nan 8.300 nan 0.000 0.492 -126 N N -0.075 118.654 118.700 0.049 0.000 2.244 -126 N HA -0.135 4.604 4.740 -0.001 0.000 0.183 -126 N C 1.058 176.508 175.510 -0.100 0.000 1.016 -126 N CA 0.787 53.817 53.050 -0.033 0.000 0.866 -126 N CB -0.125 38.380 38.487 0.029 0.000 0.980 -126 N HN 0.253 nan 8.380 nan 0.000 0.430 -125 K N 0.298 120.653 120.400 -0.075 0.000 2.476 -125 K HA 0.097 4.416 4.320 -0.001 0.000 0.196 -125 K C 0.655 177.192 176.600 -0.105 0.000 1.025 -125 K CA 0.051 56.295 56.287 -0.071 0.000 1.138 -125 K CB 0.471 32.951 32.500 -0.035 0.000 0.860 -125 K HN 0.223 nan 8.250 nan 0.000 0.515 -124 G N 1.727 110.415 108.800 -0.187 0.000 2.153 -124 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.252 -124 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.252 -124 G C 0.462 175.282 174.900 -0.134 0.000 0.994 -124 G CA 0.547 45.519 45.100 -0.212 0.000 0.698 -124 G HN 0.489 nan 8.290 nan 0.000 0.521 -123 E N -0.917 119.229 120.200 -0.089 0.000 2.371 -123 E HA 0.162 4.512 4.350 -0.001 0.000 0.194 -123 E C 1.159 177.761 176.600 0.002 0.000 1.012 -123 E CA 0.997 57.379 56.400 -0.031 0.000 0.860 -123 E CB 0.382 30.076 29.700 -0.010 0.000 0.811 -123 E HN 0.353 nan 8.360 nan 0.000 0.502 -122 T N -1.659 112.903 114.554 0.014 0.000 2.906 -122 T HA 0.507 4.856 4.350 -0.001 0.000 0.295 -122 T C 0.371 175.143 174.700 0.120 0.000 1.061 -122 T CA -0.187 61.972 62.100 0.098 0.000 1.000 -122 T CB 1.688 70.662 68.868 0.177 0.000 1.103 -122 T HN -0.034 nan 8.240 nan 0.000 0.486 -121 A N 3.811 126.726 122.820 0.158 0.000 1.930 -121 A HA 0.423 4.742 4.320 -0.001 0.000 0.215 -121 A C 0.796 178.608 177.584 0.379 0.000 1.176 -121 A CA 0.781 52.931 52.037 0.188 0.000 0.632 -121 A CB -0.164 18.915 19.000 0.131 0.000 0.819 -121 A HN 0.726 nan 8.150 nan 0.000 0.445 -120 M N -1.336 118.468 119.600 0.341 0.000 2.446 -120 M HA 0.438 4.917 4.480 -0.001 0.000 0.294 -120 M C -0.803 175.576 176.300 0.132 0.000 1.158 -120 M CA -0.138 55.311 55.300 0.249 0.000 0.899 -120 M CB 2.593 35.257 32.600 0.106 0.000 1.687 -120 M HN 0.056 nan 8.290 nan 0.000 0.455 -119 T N 2.061 116.536 114.554 -0.133 0.000 2.906 -119 T HA 0.791 5.141 4.350 -0.001 0.000 0.295 -119 T C -1.501 173.102 174.700 -0.160 0.000 1.075 -119 T CA -0.542 61.464 62.100 -0.157 0.000 1.005 -119 T CB 1.258 69.900 68.868 -0.377 0.000 1.136 -119 T HN 0.548 nan 8.240 nan 0.000 0.498 -118 I N 4.239 124.757 120.570 -0.087 0.000 2.355 -118 I HA 0.516 4.686 4.170 -0.001 0.000 0.288 -118 I C 0.029 176.219 176.117 0.122 0.000 0.999 -118 I CA -0.606 60.649 61.300 -0.075 0.000 1.163 -118 I CB 1.216 39.041 38.000 -0.292 0.000 1.316 -118 I HN 0.430 nan 8.210 nan 0.000 0.454 -117 N N 3.161 121.909 118.700 0.080 0.000 2.825 -117 N HA 0.544 5.284 4.740 -0.001 0.000 0.253 -117 N C -0.781 174.610 175.510 -0.198 0.000 1.426 -117 N CA -0.398 52.719 53.050 0.112 0.000 0.851 -117 N CB 2.561 41.029 38.487 -0.031 0.000 1.470 -117 N HN 0.601 nan 8.380 nan 0.000 0.517 -116 G N 0.251 108.559 108.800 -0.819 0.000 2.511 -116 G HA2 0.425 4.384 3.960 -0.001 0.000 0.316 -116 G HA3 0.425 4.384 3.960 -0.001 0.000 0.316 -116 G C -1.779 172.124 174.900 -1.662 0.000 1.210 -116 G CA -1.107 43.092 45.100 -1.502 0.000 0.969 -116 G HN 0.316 nan 8.290 nan 0.000 0.492 -115 P HA -0.196 nan 4.420 nan 0.000 0.217 -115 P C 1.569 178.066 177.300 -1.339 0.000 1.158 -115 P CA 2.267 64.222 63.100 -1.909 0.000 0.887 -115 P CB -0.102 30.977 31.700 -1.035 0.000 0.792 -114 W N 0.108 121.120 121.300 -0.479 0.000 2.313 -114 W HA -0.127 4.532 4.660 -0.001 0.000 0.293 -114 W C 1.905 178.346 176.519 -0.130 0.000 1.216 -114 W CA 1.161 58.364 57.345 -0.235 0.000 1.223 -114 W CB -2.059 27.325 29.460 -0.127 0.000 1.138 -114 W HN -0.113 nan 8.180 nan 0.000 0.535 -113 A N -0.157 122.396 122.820 -0.446 0.000 2.206 -113 A HA 0.029 4.348 4.320 -0.001 0.000 0.211 -113 A C 1.502 179.120 177.584 0.057 0.000 1.158 -113 A CA 0.802 52.794 52.037 -0.076 0.000 0.761 -113 A CB -1.140 17.775 19.000 -0.142 0.000 0.801 -113 A HN 0.447 nan 8.150 nan 0.000 0.473 -112 W N 0.235 121.494 121.300 -0.067 0.000 2.388 -112 W HA -0.023 4.636 4.660 -0.001 0.000 0.294 -112 W C 2.354 178.845 176.519 -0.046 0.000 1.212 -112 W CA 0.608 57.922 57.345 -0.051 0.000 1.271 -112 W CB -1.476 28.023 29.460 0.066 0.000 1.126 -112 W HN 0.318 nan 8.180 nan 0.000 0.535 -111 S N 0.702 116.532 115.700 0.217 0.000 2.383 -111 S HA -0.188 4.281 4.470 -0.001 0.000 0.229 -111 S C 1.642 176.287 174.600 0.074 0.000 1.030 -111 S CA 1.542 59.822 58.200 0.133 0.000 1.002 -111 S CB -0.280 62.980 63.200 0.099 0.000 0.829 -111 S HN 0.248 nan 8.310 nan 0.000 0.467 -110 N N 1.206 119.947 118.700 0.067 0.000 2.300 -110 N HA 0.113 4.853 4.740 -0.001 0.000 0.179 -110 N C 1.536 177.045 175.510 -0.002 0.000 1.016 -110 N CA 0.713 53.789 53.050 0.044 0.000 0.876 -110 N CB -0.315 38.216 38.487 0.073 0.000 0.979 -110 N HN 0.426 nan 8.380 nan 0.000 0.432 -109 I N 0.761 121.293 120.570 -0.064 0.000 2.394 -109 I HA -0.166 4.004 4.170 -0.001 0.000 0.251 -109 I C 1.405 177.408 176.117 -0.189 0.000 1.136 -109 I CA 0.948 62.132 61.300 -0.194 0.000 1.425 -109 I CB -0.137 37.541 38.000 -0.537 0.000 1.079 -109 I HN -0.049 nan 8.210 nan 0.000 0.425 -108 D N 0.573 120.909 120.400 -0.106 0.000 2.149 -108 D HA -0.108 4.531 4.640 -0.001 0.000 0.201 -108 D C 2.224 178.531 176.300 0.011 0.000 0.972 -108 D CA 1.473 55.476 54.000 0.005 0.000 0.835 -108 D CB -0.136 40.711 40.800 0.079 0.000 0.966 -108 D HN 0.289 nan 8.370 nan 0.000 0.476 -107 T N 0.443 115.002 114.554 0.008 0.000 2.821 -107 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 -107 T C 2.056 176.755 174.700 -0.002 0.000 1.046 -107 T CA 1.493 63.599 62.100 0.010 0.000 1.139 -107 T CB -0.135 68.743 68.868 0.016 0.000 0.871 -107 T HN 0.175 nan 8.240 nan 0.000 0.454 -106 S N 0.782 116.473 115.700 -0.016 0.000 2.561 -106 S HA 0.078 4.547 4.470 -0.001 0.000 0.225 -106 S C 0.689 175.266 174.600 -0.038 0.000 0.977 -106 S CA 0.124 58.308 58.200 -0.028 0.000 0.926 -106 S CB -0.535 62.643 63.200 -0.037 0.000 0.769 -106 S HN 0.496 nan 8.310 nan 0.000 0.533 -105 K N 0.266 120.650 120.400 -0.027 0.000 3.257 -105 K HA -0.106 4.214 4.320 -0.001 0.000 0.270 -105 K C -1.053 175.530 176.600 -0.029 0.000 0.984 -105 K CA 0.352 56.630 56.287 -0.014 0.000 0.739 -105 K CB -2.074 30.422 32.500 -0.008 0.000 1.351 -105 K HN 0.351 nan 8.250 nan 0.000 0.463 -104 V N 1.564 121.448 119.914 -0.049 0.000 2.407 -104 V HA 0.101 4.220 4.120 -0.001 0.000 0.278 -104 V C 0.539 176.663 176.094 0.051 0.000 1.037 -104 V CA -0.821 61.435 62.300 -0.072 0.000 0.900 -104 V CB 1.524 33.221 31.823 -0.210 0.000 0.983 -104 V HN 0.301 nan 8.190 nan 0.000 0.459 -103 N N 5.247 123.964 118.700 0.028 0.000 2.400 -103 N HA 0.109 4.849 4.740 -0.001 0.000 0.267 -103 N C -0.925 174.624 175.510 0.066 0.000 1.208 -103 N CA 0.014 53.095 53.050 0.051 0.000 0.951 -103 N CB -0.118 38.361 38.487 -0.012 0.000 1.227 -103 N HN 0.600 nan 8.380 nan 0.000 0.488 -102 Y N 0.676 120.886 120.300 -0.151 0.000 2.524 -102 Y HA 0.855 5.405 4.550 -0.001 0.000 0.344 -102 Y C 0.117 175.779 175.900 -0.397 0.000 1.012 -102 Y CA -1.841 56.127 58.100 -0.220 0.000 1.068 -102 Y CB 0.760 39.205 38.460 -0.024 0.000 1.249 -102 Y HN 0.288 nan 8.280 nan 0.000 0.468 -101 G N 0.937 109.237 108.800 -0.833 0.000 2.481 -101 G HA2 0.594 4.554 3.960 -0.001 0.000 0.315 -101 G HA3 0.594 4.554 3.960 -0.001 0.000 0.315 -101 G C -1.962 172.612 174.900 -0.543 0.000 1.231 -101 G CA -1.175 43.418 45.100 -0.845 0.000 0.968 -101 G HN 0.679 nan 8.290 nan 0.000 0.482 -100 V N 0.550 120.263 119.914 -0.336 0.000 2.384 -100 V HA 0.729 4.849 4.120 -0.001 0.000 0.287 -100 V C 0.278 176.381 176.094 0.016 0.000 1.020 -100 V CA -0.520 61.703 62.300 -0.129 0.000 0.850 -100 V CB 1.122 32.785 31.823 -0.266 0.000 0.987 -100 V HN 0.858 nan 8.190 nan 0.000 0.436 -99 T N 2.825 117.444 114.554 0.109 0.000 2.883 -99 T HA 0.512 4.861 4.350 -0.001 0.000 0.296 -99 T C -0.723 173.984 174.700 0.012 0.000 1.117 -99 T CA -0.384 61.757 62.100 0.069 0.000 1.006 -99 T CB 2.044 70.958 68.868 0.076 0.000 1.191 -99 T HN 0.546 nan 8.240 nan 0.000 0.508 -98 V N 4.344 124.248 119.914 -0.018 0.000 2.694 -98 V HA 0.268 4.388 4.120 -0.001 0.000 0.306 -98 V C 0.369 176.425 176.094 -0.063 0.000 1.054 -98 V CA 0.170 62.453 62.300 -0.029 0.000 1.161 -98 V CB -0.194 31.610 31.823 -0.032 0.000 0.916 -98 V HN 0.753 nan 8.190 nan 0.000 0.490 -97 L N 7.994 129.186 121.223 -0.052 0.000 2.482 -97 L HA 0.243 4.583 4.340 -0.001 0.000 0.273 -97 L C -1.957 174.832 176.870 -0.134 0.000 1.228 -97 L CA -1.294 53.489 54.840 -0.096 0.000 0.827 -97 L CB -0.087 41.965 42.059 -0.012 0.000 1.099 -97 L HN 0.545 nan 8.230 nan 0.000 0.494 -96 P HA 0.057 nan 4.420 nan 0.000 0.271 -96 P C -0.591 176.691 177.300 -0.029 0.000 1.216 -96 P CA -0.429 62.476 63.100 -0.326 0.000 0.776 -96 P CB 0.485 31.703 31.700 -0.804 0.000 0.881 -95 T N 0.122 114.696 114.554 0.034 0.000 2.918 -95 T HA 0.395 4.745 4.350 -0.001 0.000 0.302 -95 T C -0.606 174.279 174.700 0.309 0.000 1.045 -95 T CA -0.307 61.875 62.100 0.136 0.000 1.114 -95 T CB -0.013 68.872 68.868 0.028 0.000 0.965 -95 T HN 0.194 nan 8.240 nan 0.000 0.540 -94 F N 2.482 122.493 119.950 0.102 0.000 2.493 -94 F HA 0.481 5.007 4.527 -0.001 0.000 0.329 -94 F C 0.690 176.430 175.800 -0.101 0.000 1.126 -94 F CA -1.145 56.832 58.000 -0.039 0.000 0.937 -94 F CB 1.151 40.017 39.000 -0.224 0.000 1.146 -94 F HN 0.901 nan 8.300 nan 0.000 0.442 -93 K N 4.633 124.525 120.400 -0.848 0.000 3.035 -93 K HA -0.213 4.107 4.320 -0.001 0.000 0.262 -93 K C 0.887 177.303 176.600 -0.308 0.000 1.024 -93 K CA 0.838 56.724 56.287 -0.669 0.000 0.748 -93 K CB -1.695 30.288 32.500 -0.861 0.000 1.247 -93 K HN 1.413 nan 8.250 nan 0.000 0.482 -92 G N -0.259 108.424 108.800 -0.194 0.000 2.168 -92 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.263 -92 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.263 -92 G C -0.159 174.697 174.900 -0.073 0.000 0.977 -92 G CA 0.740 45.774 45.100 -0.109 0.000 0.659 -92 G HN 0.366 nan 8.290 nan 0.000 0.533 -91 Q N 0.637 120.398 119.800 -0.065 0.000 2.293 -91 Q HA 0.434 4.773 4.340 -0.001 0.000 0.261 -91 Q C -2.560 173.456 176.000 0.027 0.000 0.960 -91 Q CA -2.115 53.675 55.803 -0.022 0.000 0.882 -91 Q CB 2.544 31.269 28.738 -0.021 0.000 1.275 -91 Q HN 0.278 nan 8.270 nan 0.000 0.445 -90 P HA 0.010 nan 4.420 nan 0.000 0.269 -90 P C -0.368 176.964 177.300 0.054 0.000 1.209 -90 P CA 0.037 63.161 63.100 0.039 0.000 0.776 -90 P CB 0.626 32.334 31.700 0.013 0.000 0.876 -89 S N 2.326 118.084 115.700 0.097 0.000 2.560 -89 S HA 0.059 4.528 4.470 -0.001 0.000 0.284 -89 S C 0.538 175.139 174.600 0.002 0.000 1.327 -89 S CA -0.067 58.176 58.200 0.072 0.000 1.055 -89 S CB -0.068 63.249 63.200 0.196 0.000 0.868 -89 S HN 0.297 nan 8.310 nan 0.000 0.506 -88 K N 3.616 123.969 120.400 -0.078 0.000 2.499 -88 K HA 0.260 4.579 4.320 -0.001 0.000 0.215 -88 K C -2.625 173.933 176.600 -0.070 0.000 1.041 -88 K CA -1.751 54.495 56.287 -0.069 0.000 1.031 -88 K CB 0.994 33.439 32.500 -0.092 0.000 1.479 -88 K HN 0.416 nan 8.250 nan 0.000 0.518 -87 P HA 0.077 nan 4.420 nan 0.000 0.275 -87 P C -0.423 176.972 177.300 0.159 0.000 1.228 -87 P CA -0.362 62.760 63.100 0.037 0.000 0.786 -87 P CB 0.520 32.235 31.700 0.026 0.000 0.927 -86 F N 0.916 121.033 119.950 0.278 0.000 2.484 -86 F HA 0.073 4.600 4.527 -0.001 0.000 0.360 -86 F C 0.834 176.828 175.800 0.322 0.000 1.101 -86 F CA -0.123 58.078 58.000 0.336 0.000 1.251 -86 F CB 0.312 39.573 39.000 0.436 0.000 1.132 -86 F HN -0.023 nan 8.300 nan 0.000 0.570 -85 V N 3.586 123.831 119.914 0.552 0.000 2.383 -85 V HA 0.509 4.629 4.120 -0.001 0.000 0.275 -85 V C 0.489 176.845 176.094 0.438 0.000 1.036 -85 V CA -0.633 61.914 62.300 0.412 0.000 0.889 -85 V CB 0.977 32.990 31.823 0.316 0.000 0.985 -85 V HN 0.860 nan 8.190 nan 0.000 0.459 -84 G N 3.950 112.966 108.800 0.360 0.000 2.335 -84 G HA2 0.534 4.494 3.960 -0.001 0.000 0.316 -84 G HA3 0.534 4.494 3.960 -0.001 0.000 0.316 -84 G C -0.811 174.214 174.900 0.210 0.000 1.129 -84 G CA -0.359 44.900 45.100 0.265 0.000 0.899 -84 G HN 0.530 nan 8.290 nan 0.000 0.448 -83 V N 4.350 124.421 119.914 0.262 0.000 2.304 -83 V HA 0.159 4.279 4.120 -0.001 0.000 0.269 -83 V C 0.386 176.469 176.094 -0.017 0.000 1.036 -83 V CA -0.740 61.572 62.300 0.021 0.000 0.840 -83 V CB 0.907 32.606 31.823 -0.207 0.000 1.036 -83 V HN 0.707 nan 8.190 nan 0.000 0.466 -82 L N 6.126 127.321 121.223 -0.047 0.000 2.584 -82 L HA 0.204 4.543 4.340 -0.001 0.000 0.272 -82 L C 0.468 177.290 176.870 -0.081 0.000 1.195 -82 L CA 1.330 56.132 54.840 -0.063 0.000 0.920 -82 L CB 0.376 42.432 42.059 -0.004 0.000 1.173 -82 L HN 0.747 nan 8.230 nan 0.000 0.489 -81 S N 3.614 119.214 115.700 -0.166 0.000 2.599 -81 S HA 0.891 5.360 4.470 -0.001 0.000 0.294 -81 S C -0.631 173.809 174.600 -0.267 0.000 1.094 -81 S CA -0.469 57.563 58.200 -0.281 0.000 0.931 -81 S CB 1.855 64.697 63.200 -0.597 0.000 1.093 -81 S HN 0.871 nan 8.310 nan 0.000 0.488 -80 A N 1.188 123.842 122.820 -0.276 0.000 2.291 -80 A HA 0.788 5.107 4.320 -0.001 0.000 0.311 -80 A C 0.217 177.800 177.584 -0.001 0.000 1.224 -80 A CA -0.607 51.147 52.037 -0.472 0.000 0.821 -80 A CB 0.435 18.943 19.000 -0.819 0.000 1.172 -80 A HN 0.958 nan 8.150 nan 0.000 0.494 -79 G N 1.046 109.939 108.800 0.156 0.000 2.417 -79 G HA2 0.597 4.556 3.960 -0.001 0.000 0.334 -79 G HA3 0.597 4.556 3.960 -0.001 0.000 0.334 -79 G C -0.685 174.248 174.900 0.056 0.000 1.150 -79 G CA -0.615 44.628 45.100 0.239 0.000 0.923 -79 G HN 0.670 nan 8.290 nan 0.000 0.485 -78 I N 1.517 122.136 120.570 0.082 0.000 2.339 -78 I HA 0.135 4.304 4.170 -0.001 0.000 0.290 -78 I C -0.129 176.010 176.117 0.037 0.000 0.994 -78 I CA -0.964 60.370 61.300 0.057 0.000 1.191 -78 I CB 1.694 39.752 38.000 0.096 0.000 1.343 -78 I HN 0.321 nan 8.210 nan 0.000 0.458 -77 N N 4.837 123.550 118.700 0.022 0.000 2.414 -77 N HA 0.020 4.759 4.740 -0.001 0.000 0.268 -77 N C 0.945 176.449 175.510 -0.010 0.000 1.286 -77 N CA 0.349 53.413 53.050 0.022 0.000 0.896 -77 N CB 1.363 39.829 38.487 -0.035 0.000 1.093 -77 N HN 0.774 nan 8.380 nan 0.000 0.480 -76 A N 4.043 126.856 122.820 -0.012 0.000 2.024 -76 A HA -0.104 4.216 4.320 -0.001 0.000 0.220 -76 A C 1.926 179.477 177.584 -0.055 0.000 1.164 -76 A CA 1.843 53.859 52.037 -0.034 0.000 0.643 -76 A CB -0.567 18.403 19.000 -0.049 0.000 0.806 -76 A HN 0.757 nan 8.150 nan 0.000 0.451 -75 A N -0.833 121.949 122.820 -0.064 0.000 2.123 -75 A HA 0.266 4.586 4.320 -0.001 0.000 0.214 -75 A C 1.507 179.059 177.584 -0.053 0.000 1.152 -75 A CA 0.802 52.804 52.037 -0.059 0.000 0.728 -75 A CB -0.511 18.451 19.000 -0.063 0.000 0.814 -75 A HN 0.487 nan 8.150 nan 0.000 0.464 -74 S N 1.129 116.797 115.700 -0.054 0.000 2.537 -74 S HA 0.247 4.716 4.470 -0.001 0.000 0.286 -74 S C -1.452 173.130 174.600 -0.030 0.000 1.299 -74 S CA -0.853 57.319 58.200 -0.047 0.000 1.067 -74 S CB 0.702 63.875 63.200 -0.045 0.000 0.864 -74 S HN 0.305 nan 8.310 nan 0.000 0.494 -73 P HA 0.193 nan 4.420 nan 0.000 0.257 -73 P C -0.265 177.031 177.300 -0.007 0.000 1.325 -73 P CA 0.076 63.166 63.100 -0.017 0.000 0.850 -73 P CB -0.022 31.668 31.700 -0.017 0.000 1.324 -72 N N 0.097 118.792 118.700 -0.008 0.000 2.282 -72 N HA 0.111 4.850 4.740 -0.001 0.000 0.240 -72 N C 1.134 176.653 175.510 0.014 0.000 1.182 -72 N CA -0.194 52.858 53.050 0.003 0.000 0.874 -72 N CB 0.442 38.924 38.487 -0.008 0.000 1.126 -72 N HN 0.154 nan 8.380 nan 0.000 0.516 -71 K N 1.232 121.642 120.400 0.016 0.000 2.089 -71 K HA -0.178 4.141 4.320 -0.001 0.000 0.210 -71 K C 1.328 177.958 176.600 0.049 0.000 1.048 -71 K CA 1.423 57.730 56.287 0.032 0.000 0.926 -71 K CB 0.144 32.661 32.500 0.028 0.000 0.714 -71 K HN 0.319 nan 8.250 nan 0.000 0.448 -70 E N 0.705 120.933 120.200 0.047 0.000 2.072 -70 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 -70 E C 2.063 178.711 176.600 0.081 0.000 0.985 -70 E CA 0.908 57.344 56.400 0.060 0.000 0.801 -70 E CB -0.094 29.637 29.700 0.052 0.000 0.750 -70 E HN 0.199 nan 8.360 nan 0.000 0.452 -69 L N 0.612 121.887 121.223 0.086 0.000 2.201 -69 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 -69 L C 2.413 179.313 176.870 0.051 0.000 1.105 -69 L CA 0.851 55.770 54.840 0.130 0.000 0.775 -69 L CB -0.312 41.827 42.059 0.133 0.000 0.913 -69 L HN 0.139 nan 8.230 nan 0.000 0.440 -68 A N 0.260 123.096 122.820 0.026 0.000 1.841 -68 A HA -0.253 4.067 4.320 -0.001 0.000 0.214 -68 A C 2.374 179.981 177.584 0.037 0.000 1.195 -68 A CA 1.942 53.991 52.037 0.020 0.000 0.611 -68 A CB -0.491 18.532 19.000 0.037 0.000 0.835 -68 A HN 0.336 nan 8.150 nan 0.000 0.443 -67 K N -0.216 120.219 120.400 0.058 0.000 2.044 -67 K HA -0.280 4.040 4.320 -0.001 0.000 0.210 -67 K C 1.999 178.569 176.600 -0.051 0.000 1.049 -67 K CA 2.108 58.414 56.287 0.032 0.000 0.927 -67 K CB -0.207 32.353 32.500 0.100 0.000 0.713 -67 K HN 0.399 nan 8.250 nan 0.000 0.443 -66 E N 0.217 120.443 120.200 0.043 0.000 2.085 -66 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 -66 E C 1.738 178.430 176.600 0.153 0.000 0.994 -66 E CA 1.743 58.218 56.400 0.126 0.000 0.801 -66 E CB -0.443 29.410 29.700 0.254 0.000 0.743 -66 E HN 0.478 nan 8.360 nan 0.000 0.453 -65 F N -0.003 119.821 119.950 -0.210 0.000 2.163 -65 F HA -0.006 4.520 4.527 -0.001 0.000 0.297 -65 F C 1.822 177.508 175.800 -0.191 0.000 1.094 -65 F CA 1.163 58.888 58.000 -0.458 0.000 1.290 -65 F CB -0.039 38.400 39.000 -0.935 0.000 1.017 -65 F HN 0.034 nan 8.300 nan 0.000 0.483 -64 L N 0.127 121.154 121.223 -0.326 0.000 2.072 -64 L HA -0.140 4.199 4.340 -0.001 0.000 0.205 -64 L C 2.393 178.944 176.870 -0.531 0.000 1.079 -64 L CA 1.456 56.001 54.840 -0.492 0.000 0.752 -64 L CB -0.640 41.071 42.059 -0.580 0.000 0.906 -64 L HN 0.149 nan 8.230 nan 0.000 0.436 -63 E N -0.125 119.727 120.200 -0.581 0.000 2.072 -63 E HA -0.128 4.221 4.350 -0.001 0.000 0.190 -63 E C 1.579 177.948 176.600 -0.384 0.000 0.982 -63 E CA 0.979 56.922 56.400 -0.762 0.000 0.803 -63 E CB 0.009 29.131 29.700 -0.963 0.000 0.755 -63 E HN 0.506 nan 8.360 nan 0.000 0.453 -62 N N -0.698 117.879 118.700 -0.205 0.000 2.415 -62 N HA -0.003 4.736 4.740 -0.001 0.000 0.174 -62 N C 1.176 176.543 175.510 -0.238 0.000 1.048 -62 N CA 0.703 53.670 53.050 -0.139 0.000 0.895 -62 N CB 0.239 38.706 38.487 -0.033 0.000 1.036 -62 N HN 0.186 nan 8.380 nan 0.000 0.449 -61 Y N -0.006 120.149 120.300 -0.240 0.000 2.559 -61 Y HA 0.216 4.766 4.550 -0.001 0.000 0.279 -61 Y C 1.870 177.542 175.900 -0.380 0.000 1.117 -61 Y CA -0.062 57.884 58.100 -0.258 0.000 1.263 -61 Y CB 0.006 38.358 38.460 -0.180 0.000 1.230 -61 Y HN -0.101 nan 8.280 nan 0.000 0.528 -60 L N -0.268 120.701 121.223 -0.423 0.000 2.130 -60 L HA 0.186 4.526 4.340 -0.001 0.000 0.200 -60 L C 0.718 177.495 176.870 -0.154 0.000 1.075 -60 L CA 1.490 56.133 54.840 -0.328 0.000 0.768 -60 L CB -0.450 41.369 42.059 -0.401 0.000 0.933 -60 L HN 0.038 nan 8.230 nan 0.000 0.451 -59 L N 1.797 122.956 121.223 -0.106 0.000 2.533 -59 L HA 0.215 4.554 4.340 -0.001 0.000 0.239 -59 L C -0.471 176.414 176.870 0.024 0.000 1.376 -59 L CA -0.175 54.673 54.840 0.014 0.000 1.240 -59 L CB -1.424 40.740 42.059 0.174 0.000 1.487 -59 L HN 0.345 nan 8.230 nan 0.000 0.419 -58 T N -6.101 108.415 114.554 -0.063 0.000 2.900 -58 T HA 0.259 4.608 4.350 -0.001 0.000 0.303 -58 T C 0.475 175.077 174.700 -0.162 0.000 1.142 -58 T CA -0.899 61.155 62.100 -0.078 0.000 1.007 -58 T CB 2.084 70.890 68.868 -0.103 0.000 1.156 -58 T HN -0.031 nan 8.240 nan 0.000 0.490 -57 D N 0.791 121.104 120.400 -0.146 0.000 2.172 -57 D HA -0.120 4.520 4.640 -0.001 0.000 0.196 -57 D C 1.624 177.687 176.300 -0.395 0.000 0.999 -57 D CA 1.602 55.441 54.000 -0.269 0.000 0.856 -57 D CB 0.051 40.818 40.800 -0.055 0.000 0.934 -57 D HN 0.685 nan 8.370 nan 0.000 0.453 -56 E N 0.089 120.159 120.200 -0.216 0.000 2.028 -56 E HA 0.013 4.362 4.350 -0.001 0.000 0.190 -56 E C 2.276 178.774 176.600 -0.171 0.000 0.984 -56 E CA 1.144 57.447 56.400 -0.163 0.000 0.800 -56 E CB -0.840 28.806 29.700 -0.091 0.000 0.758 -56 E HN 0.289 nan 8.360 nan 0.000 0.448 -55 G N 0.928 109.636 108.800 -0.153 0.000 2.446 -55 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 -55 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 -55 G C 1.530 176.344 174.900 -0.144 0.000 1.168 -55 G CA 0.843 45.872 45.100 -0.118 0.000 0.771 -55 G HN 0.151 nan 8.290 nan 0.000 0.551 -54 L N -0.093 120.988 121.223 -0.236 0.000 2.156 -54 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 -54 L C 2.723 179.443 176.870 -0.251 0.000 1.095 -54 L CA 1.056 55.763 54.840 -0.222 0.000 0.770 -54 L CB -0.349 41.574 42.059 -0.228 0.000 0.914 -54 L HN 0.351 nan 8.230 nan 0.000 0.439 -53 E N 0.544 120.474 120.200 -0.451 0.000 2.051 -53 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 -53 E C 2.260 178.833 176.600 -0.045 0.000 0.991 -53 E CA 1.232 57.510 56.400 -0.205 0.000 0.799 -53 E CB 0.026 29.606 29.700 -0.200 0.000 0.748 -53 E HN 0.447 nan 8.360 nan 0.000 0.449 -52 A N 0.470 123.253 122.820 -0.062 0.000 1.892 -52 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 -52 A C 2.404 179.983 177.584 -0.008 0.000 1.188 -52 A CA 1.884 53.911 52.037 -0.016 0.000 0.631 -52 A CB -0.825 18.171 19.000 -0.005 0.000 0.822 -52 A HN 0.230 nan 8.150 nan 0.000 0.447 -51 V N 0.429 120.333 119.914 -0.017 0.000 2.307 -51 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 -51 V C 2.371 178.473 176.094 0.013 0.000 1.045 -51 V CA 2.246 64.535 62.300 -0.017 0.000 1.024 -51 V CB -1.193 30.613 31.823 -0.027 0.000 0.651 -51 V HN 0.678 nan 8.190 nan 0.000 0.449 -50 N N 0.230 118.964 118.700 0.056 0.000 2.223 -50 N HA -0.164 4.575 4.740 -0.001 0.000 0.185 -50 N C 1.801 177.375 175.510 0.107 0.000 1.016 -50 N CA 1.118 54.239 53.050 0.118 0.000 0.863 -50 N CB -0.134 38.497 38.487 0.239 0.000 0.983 -50 N HN 0.246 nan 8.380 nan 0.000 0.429 -49 K N 0.332 120.781 120.400 0.082 0.000 2.097 -49 K HA -0.113 4.206 4.320 -0.001 0.000 0.205 -49 K C 1.282 177.907 176.600 0.042 0.000 1.050 -49 K CA 0.933 57.262 56.287 0.070 0.000 0.938 -49 K CB -0.394 32.137 32.500 0.052 0.000 0.718 -49 K HN 0.337 nan 8.250 nan 0.000 0.442 -48 D N 0.353 120.759 120.400 0.008 0.000 2.085 -48 D HA -0.049 4.590 4.640 -0.001 0.000 0.199 -48 D C -0.088 176.196 176.300 -0.026 0.000 0.981 -48 D CA 1.320 55.298 54.000 -0.038 0.000 0.834 -48 D CB 0.457 41.199 40.800 -0.097 0.000 0.992 -48 D HN -0.119 nan 8.370 nan 0.000 0.457 -47 K N 0.043 120.439 120.400 -0.007 0.000 2.501 -47 K HA 0.398 4.717 4.320 -0.001 0.000 0.252 -47 K C -2.720 173.912 176.600 0.054 0.000 0.934 -47 K CA -2.062 54.246 56.287 0.035 0.000 0.797 -47 K CB 1.991 34.511 32.500 0.033 0.000 1.270 -47 K HN -0.093 nan 8.250 nan 0.000 0.431 -46 P HA 0.154 nan 4.420 nan 0.000 0.268 -46 P C 0.580 177.873 177.300 -0.012 0.000 1.204 -46 P CA -0.067 63.056 63.100 0.038 0.000 0.768 -46 P CB 0.620 32.314 31.700 -0.009 0.000 0.842 -45 L N 1.775 123.023 121.223 0.040 0.000 2.375 -45 L HA 0.193 4.533 4.340 -0.001 0.000 0.215 -45 L C 1.409 178.296 176.870 0.030 0.000 1.108 -45 L CA 1.154 56.026 54.840 0.053 0.000 0.830 -45 L CB -0.602 41.512 42.059 0.091 0.000 0.959 -45 L HN 0.759 nan 8.230 nan 0.000 0.457 -44 G N -0.271 108.521 108.800 -0.014 0.000 2.445 -44 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.212 -44 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.212 -44 G C -0.411 174.536 174.900 0.078 0.000 1.217 -44 G CA -0.382 44.717 45.100 -0.001 0.000 1.002 -44 G HN 0.321 nan 8.290 nan 0.000 0.574 -43 A N 0.475 123.351 122.820 0.093 0.000 2.343 -43 A HA 0.687 5.006 4.320 -0.001 0.000 0.305 -43 A C 0.966 178.616 177.584 0.110 0.000 1.308 -43 A CA 0.527 52.626 52.037 0.102 0.000 0.949 -43 A CB -0.406 18.656 19.000 0.104 0.000 1.148 -43 A HN 2.254 nan 8.150 nan 0.000 0.545 -42 V N 0.776 120.765 119.914 0.124 0.000 2.963 -42 V HA 0.410 4.529 4.120 -0.001 0.000 0.306 -42 V C 1.393 177.568 176.094 0.135 0.000 1.077 -42 V CA 0.220 62.599 62.300 0.133 0.000 1.124 -42 V CB 0.204 32.154 31.823 0.212 0.000 0.987 -42 V HN 1.041 nan 8.190 nan 0.000 0.487 -41 A N 3.280 126.124 122.820 0.040 0.000 1.930 -41 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 -41 A C 1.280 178.828 177.584 -0.061 0.000 1.175 -41 A CA 0.932 52.945 52.037 -0.039 0.000 0.627 -41 A CB -0.526 18.337 19.000 -0.230 0.000 0.815 -41 A HN 0.999 nan 8.150 nan 0.000 0.443 -40 L N 0.998 122.194 121.223 -0.046 0.000 2.530 -40 L HA 0.104 4.443 4.340 -0.001 0.000 0.273 -40 L C 1.072 177.876 176.870 -0.110 0.000 1.141 -40 L CA 0.332 55.117 54.840 -0.092 0.000 0.905 -40 L CB 0.242 42.304 42.059 0.004 0.000 1.202 -40 L HN 0.307 nan 8.230 nan 0.000 0.473 -39 K N 1.626 121.806 120.400 -0.368 0.000 2.063 -39 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 -39 K C 2.014 178.542 176.600 -0.120 0.000 1.048 -39 K CA 1.815 57.791 56.287 -0.518 0.000 0.928 -39 K CB -0.259 31.838 32.500 -0.671 0.000 0.713 -39 K HN 0.885 nan 8.250 nan 0.000 0.442 -38 S N 0.568 116.231 115.700 -0.061 0.000 2.348 -38 S HA -0.226 4.243 4.470 -0.001 0.000 0.221 -38 S C 2.084 176.747 174.600 0.104 0.000 1.033 -38 S CA 1.086 59.300 58.200 0.024 0.000 1.010 -38 S CB -0.747 62.469 63.200 0.027 0.000 0.891 -38 S HN 0.365 nan 8.310 nan 0.000 0.442 -37 Y N 2.608 122.904 120.300 -0.006 0.000 2.439 -37 Y HA 0.096 4.645 4.550 -0.001 0.000 0.292 -37 Y C 2.403 178.335 175.900 0.053 0.000 1.130 -37 Y CA 1.187 59.300 58.100 0.021 0.000 1.254 -37 Y CB -0.441 38.029 38.460 0.017 0.000 1.000 -37 Y HN 0.365 nan 8.280 nan 0.000 0.554 -36 E N 0.859 121.086 120.200 0.045 0.000 2.051 -36 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 -36 E C 1.815 178.421 176.600 0.009 0.000 0.991 -36 E CA 2.020 58.450 56.400 0.049 0.000 0.799 -36 E CB -0.292 29.585 29.700 0.295 0.000 0.748 -36 E HN 0.583 nan 8.360 nan 0.000 0.449 -35 E N 0.232 120.460 120.200 0.047 0.000 2.219 -35 E HA -0.228 4.121 4.350 -0.001 0.000 0.198 -35 E C 2.033 178.617 176.600 -0.027 0.000 0.998 -35 E CA 1.375 57.795 56.400 0.033 0.000 0.818 -35 E CB -0.076 29.651 29.700 0.044 0.000 0.741 -35 E HN 0.445 nan 8.360 nan 0.000 0.477 -34 E N 0.336 120.479 120.200 -0.096 0.000 2.016 -34 E HA -0.122 4.227 4.350 -0.001 0.000 0.190 -34 E C 2.136 178.645 176.600 -0.151 0.000 0.985 -34 E CA 0.771 57.091 56.400 -0.133 0.000 0.802 -34 E CB -0.053 29.529 29.700 -0.197 0.000 0.762 -34 E HN 0.269 nan 8.360 nan 0.000 0.448 -33 L N 0.545 121.623 121.223 -0.241 0.000 2.362 -33 L HA -0.045 4.295 4.340 -0.001 0.000 0.219 -33 L C 2.224 179.064 176.870 -0.050 0.000 1.134 -33 L CA 0.393 55.147 54.840 -0.144 0.000 0.807 -33 L CB -0.383 41.576 42.059 -0.166 0.000 0.927 -33 L HN 0.075 nan 8.230 nan 0.000 0.447 -32 A N 0.034 122.829 122.820 -0.041 0.000 2.255 -32 A HA -0.049 4.271 4.320 -0.001 0.000 0.206 -32 A C 1.948 179.523 177.584 -0.016 0.000 1.193 -32 A CA 0.678 52.710 52.037 -0.009 0.000 0.794 -32 A CB -0.282 18.724 19.000 0.009 0.000 0.794 -32 A HN 0.381 nan 8.150 nan 0.000 0.481 -31 K N -0.314 120.070 120.400 -0.027 0.000 2.360 -31 K HA 0.044 4.363 4.320 -0.001 0.000 0.196 -31 K C -0.275 176.303 176.600 -0.037 0.000 1.049 -31 K CA -0.144 56.126 56.287 -0.028 0.000 1.049 -31 K CB 0.320 32.804 32.500 -0.027 0.000 0.881 -31 K HN 0.332 nan 8.250 nan 0.000 0.542 -30 D N 2.557 122.936 120.400 -0.035 0.000 2.371 -30 D HA 0.038 4.678 4.640 -0.001 0.000 0.256 -30 D C -1.835 174.425 176.300 -0.067 0.000 1.193 -30 D CA -2.145 51.826 54.000 -0.049 0.000 0.881 -30 D CB 1.499 42.288 40.800 -0.018 0.000 1.143 -30 D HN -0.159 nan 8.370 nan 0.000 0.473 -29 P HA -0.124 nan 4.420 nan 0.000 0.217 -29 P C 1.078 178.284 177.300 -0.158 0.000 1.148 -29 P CA 1.197 64.223 63.100 -0.123 0.000 0.828 -29 P CB 0.222 31.830 31.700 -0.153 0.000 0.783 -28 R N -1.018 119.321 120.500 -0.268 0.000 2.092 -28 R HA -0.048 4.291 4.340 -0.001 0.000 0.231 -28 R C 2.147 178.419 176.300 -0.046 0.000 1.119 -28 R CA 0.987 56.824 56.100 -0.440 0.000 0.970 -28 R CB -0.781 28.843 30.300 -1.127 0.000 0.864 -28 R HN 0.192 nan 8.270 nan 0.000 0.440 -27 I N 1.071 121.699 120.570 0.096 0.000 2.163 -27 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 -27 I C 2.606 178.785 176.117 0.104 0.000 1.081 -27 I CA 1.327 62.750 61.300 0.206 0.000 1.353 -27 I CB -1.442 36.645 38.000 0.144 0.000 1.054 -27 I HN 0.135 nan 8.210 nan 0.000 0.407 -26 A N 1.096 123.936 122.820 0.033 0.000 1.927 -26 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 -26 A C 2.520 180.114 177.584 0.017 0.000 1.185 -26 A CA 2.566 54.608 52.037 0.009 0.000 0.639 -26 A CB -0.851 18.137 19.000 -0.019 0.000 0.820 -26 A HN 0.465 nan 8.150 nan 0.000 0.451 -25 A N -1.851 120.981 122.820 0.020 0.000 1.968 -25 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 -25 A C 2.262 179.889 177.584 0.070 0.000 1.169 -25 A CA 2.033 54.087 52.037 0.028 0.000 0.638 -25 A CB -0.968 18.037 19.000 0.009 0.000 0.812 -25 A HN 0.428 nan 8.150 nan 0.000 0.446 -24 T N -0.024 114.607 114.554 0.128 0.000 2.777 -24 T HA -0.103 4.247 4.350 -0.001 0.000 0.266 -24 T C 1.989 176.743 174.700 0.090 0.000 1.040 -24 T CA 1.521 63.706 62.100 0.141 0.000 1.141 -24 T CB -0.233 68.761 68.868 0.209 0.000 0.868 -24 T HN 0.253 nan 8.240 nan 0.000 0.444 -23 M N 1.098 120.740 119.600 0.070 0.000 2.117 -23 M HA -0.025 4.455 4.480 -0.001 0.000 0.262 -23 M C 2.254 178.559 176.300 0.009 0.000 1.065 -23 M CA 1.341 56.660 55.300 0.031 0.000 1.114 -23 M CB -1.100 31.504 32.600 0.008 0.000 1.361 -23 M HN 0.351 nan 8.290 nan 0.000 0.408 -22 E N 0.163 120.369 120.200 0.010 0.000 2.085 -22 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 -22 E C 1.741 178.346 176.600 0.008 0.000 0.994 -22 E CA 1.042 57.441 56.400 -0.001 0.000 0.801 -22 E CB 0.106 29.803 29.700 -0.005 0.000 0.743 -22 E HN 0.440 nan 8.360 nan 0.000 0.453 -21 N N -0.101 118.614 118.700 0.027 0.000 2.331 -21 N HA -0.090 4.650 4.740 -0.001 0.000 0.180 -21 N C 1.500 177.039 175.510 0.048 0.000 1.019 -21 N CA 0.955 54.026 53.050 0.035 0.000 0.881 -21 N CB -0.029 38.485 38.487 0.045 0.000 0.972 -21 N HN 0.185 nan 8.380 nan 0.000 0.435 -20 A N 1.275 124.127 122.820 0.053 0.000 1.897 -20 A HA -0.104 4.216 4.320 -0.001 0.000 0.215 -20 A C 2.068 179.671 177.584 0.031 0.000 1.181 -20 A CA 0.930 53.007 52.037 0.066 0.000 0.620 -20 A CB -0.265 18.778 19.000 0.071 0.000 0.821 -20 A HN 0.173 nan 8.150 nan 0.000 0.443 -19 Q N 0.230 120.026 119.800 -0.007 0.000 2.226 -19 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 -19 Q C 1.454 177.449 176.000 -0.008 0.000 0.975 -19 Q CA 1.374 57.157 55.803 -0.033 0.000 0.866 -19 Q CB -0.298 28.410 28.738 -0.051 0.000 0.915 -19 Q HN 0.682 nan 8.270 nan 0.000 0.440 -18 K N 0.127 120.531 120.400 0.008 0.000 2.400 -18 K HA 0.120 4.439 4.320 -0.001 0.000 0.194 -18 K C 1.104 177.721 176.600 0.028 0.000 1.033 -18 K CA 0.374 56.668 56.287 0.012 0.000 1.021 -18 K CB 0.449 32.954 32.500 0.009 0.000 0.808 -18 K HN 0.085 nan 8.250 nan 0.000 0.505 -17 G N 1.865 110.696 108.800 0.052 0.000 2.531 -17 G HA2 0.201 4.160 3.960 -0.001 0.000 0.281 -17 G HA3 0.201 4.160 3.960 -0.001 0.000 0.281 -17 G C -0.931 174.043 174.900 0.124 0.000 1.382 -17 G CA -0.491 44.660 45.100 0.086 0.000 1.045 -17 G HN 0.199 nan 8.290 nan 0.000 0.533 -16 E N -1.306 119.019 120.200 0.208 0.000 2.234 -16 E HA 0.465 4.814 4.350 -0.001 0.000 0.266 -16 E C -0.949 175.900 176.600 0.415 0.000 0.877 -16 E CA -0.928 55.638 56.400 0.277 0.000 0.758 -16 E CB 2.361 32.247 29.700 0.311 0.000 1.170 -16 E HN 0.443 nan 8.360 nan 0.000 0.415 -15 I N 3.346 124.108 120.570 0.321 0.000 2.598 -15 I HA 0.057 4.226 4.170 -0.001 0.000 0.284 -15 I C 0.094 176.438 176.117 0.377 0.000 1.140 -15 I CA -0.161 61.351 61.300 0.353 0.000 1.420 -15 I CB 0.332 38.476 38.000 0.239 0.000 1.387 -15 I HN 0.677 nan 8.210 nan 0.000 0.553 -14 M N 9.422 129.219 119.600 0.330 0.000 2.261 -14 M HA 0.089 4.569 4.480 -0.001 0.000 0.350 -14 M C -2.085 174.206 176.300 -0.015 0.000 1.343 -14 M CA -0.997 54.246 55.300 -0.095 0.000 1.003 -14 M CB -0.246 32.156 32.600 -0.331 0.000 1.848 -14 M HN 0.404 nan 8.290 nan 0.000 0.456 -13 P HA -0.000 nan 4.420 nan 0.000 0.268 -13 P C -0.366 176.788 177.300 -0.244 0.000 1.204 -13 P CA 0.074 62.916 63.100 -0.429 0.000 0.768 -13 P CB 0.318 31.439 31.700 -0.965 0.000 0.842 -12 N N 2.859 121.555 118.700 -0.006 0.000 2.235 -12 N HA 0.026 4.765 4.740 -0.001 0.000 0.209 -12 N C 0.400 175.906 175.510 -0.007 0.000 1.122 -12 N CA -0.277 52.789 53.050 0.027 0.000 0.845 -12 N CB -0.855 37.777 38.487 0.241 0.000 1.004 -12 N HN 0.399 nan 8.380 nan 0.000 0.499 -11 I N -2.947 117.586 120.570 -0.060 0.000 2.836 -11 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 -11 I C -1.514 174.495 176.117 -0.180 0.000 1.174 -11 I CA -1.576 59.701 61.300 -0.038 0.000 1.405 -11 I CB 0.341 38.241 38.000 -0.167 0.000 1.385 -11 I HN -0.282 nan 8.210 nan 0.000 0.594 -10 P HA -0.152 nan 4.420 nan 0.000 0.218 -10 P C 1.029 178.232 177.300 -0.162 0.000 1.148 -10 P CA 1.321 64.328 63.100 -0.155 0.000 0.822 -10 P CB 0.003 31.652 31.700 -0.085 0.000 0.784 -9 Q N -1.823 117.851 119.800 -0.211 0.000 2.541 -9 Q HA -0.019 4.320 4.340 -0.001 0.000 0.215 -9 Q C 1.788 177.719 176.000 -0.114 0.000 0.977 -9 Q CA 0.807 56.500 55.803 -0.183 0.000 0.934 -9 Q CB -0.746 27.821 28.738 -0.285 0.000 0.988 -9 Q HN 0.214 nan 8.270 nan 0.000 0.521 -8 M N -0.647 118.842 119.600 -0.184 0.000 2.132 -8 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 -8 M C 1.952 178.145 176.300 -0.178 0.000 1.065 -8 M CA 1.666 56.851 55.300 -0.191 0.000 1.122 -8 M CB -1.066 31.402 32.600 -0.220 0.000 1.365 -8 M HN 0.253 nan 8.290 nan 0.000 0.411 -7 S N 0.727 116.322 115.700 -0.175 0.000 2.400 -7 S HA -0.078 4.391 4.470 -0.001 0.000 0.232 -7 S C 2.110 176.247 174.600 -0.771 0.000 1.025 -7 S CA 1.229 59.189 58.200 -0.399 0.000 0.993 -7 S CB -0.802 62.180 63.200 -0.363 0.000 0.808 -7 S HN 0.486 nan 8.310 nan 0.000 0.478 -6 A N 1.538 124.150 122.820 -0.346 0.000 1.898 -6 A HA 0.067 4.386 4.320 -0.001 0.000 0.216 -6 A C 1.897 179.425 177.584 -0.093 0.000 1.181 -6 A CA 1.321 53.262 52.037 -0.160 0.000 0.620 -6 A CB -0.999 18.004 19.000 0.005 0.000 0.819 -6 A HN 0.504 nan 8.150 nan 0.000 0.442 -5 F N -0.558 119.251 119.950 -0.235 0.000 2.069 -5 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 -5 F C 2.040 177.662 175.800 -0.298 0.000 1.113 -5 F CA 1.887 59.688 58.000 -0.332 0.000 1.214 -5 F CB -0.582 38.109 39.000 -0.515 0.000 0.978 -5 F HN 0.416 nan 8.300 nan 0.000 0.474 -4 W N -0.493 120.670 121.300 -0.228 0.000 2.335 -4 W HA -0.247 4.413 4.660 -0.001 0.000 0.311 -4 W C 2.551 179.023 176.519 -0.078 0.000 1.213 -4 W CA 1.557 58.764 57.345 -0.229 0.000 1.274 -4 W CB -1.081 28.317 29.460 -0.104 0.000 1.148 -4 W HN 0.106 nan 8.180 nan 0.000 0.498 -3 Y N -0.036 120.357 120.300 0.156 0.000 2.165 -3 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 -3 Y C 2.587 178.492 175.900 0.009 0.000 1.155 -3 Y CA 0.365 58.511 58.100 0.077 0.000 1.164 -3 Y CB -1.030 37.467 38.460 0.062 0.000 0.978 -3 Y HN -0.036 nan 8.280 nan 0.000 0.513 -2 A N 0.006 122.872 122.820 0.077 0.000 1.877 -2 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 -2 A C 2.308 179.852 177.584 -0.067 0.000 1.186 -2 A CA 1.900 53.928 52.037 -0.015 0.000 0.620 -2 A CB -1.090 17.868 19.000 -0.071 0.000 0.822 -2 A HN 0.257 nan 8.150 nan 0.000 0.443 -1 V N -0.285 119.513 119.914 -0.193 0.000 2.591 -1 V HA -0.152 3.968 4.120 -0.001 0.000 0.249 -1 V C 2.545 178.663 176.094 0.040 0.000 1.053 -1 V CA 1.897 64.110 62.300 -0.145 0.000 1.068 -1 V CB -0.787 30.806 31.823 -0.382 0.000 0.689 -1 V HN 0.631 nan 8.190 nan 0.000 0.462 0 R N 0.255 120.817 120.500 0.103 0.000 2.070 0 R HA -0.167 4.172 4.340 -0.001 0.000 0.232 0 R C 2.461 178.818 176.300 0.094 0.000 1.138 0 R CA 2.235 58.419 56.100 0.140 0.000 0.936 0 R CB -0.678 29.728 30.300 0.177 0.000 0.839 0 R HN 0.473 nan 8.270 nan 0.000 0.429 1 T N 0.955 115.556 114.554 0.079 0.000 2.620 1 T HA -0.277 4.072 4.350 -0.001 0.000 0.267 1 T C 1.813 176.538 174.700 0.042 0.000 1.044 1 T CA 1.880 64.011 62.100 0.052 0.000 1.161 1 T CB -0.525 68.371 68.868 0.046 0.000 0.862 1 T HN 0.534 nan 8.240 nan 0.000 0.438 2 A N 0.677 123.519 122.820 0.037 0.000 1.865 2 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 2 A C 2.643 180.250 177.584 0.039 0.000 1.191 2 A CA 1.813 53.868 52.037 0.030 0.000 0.623 2 A CB -1.083 17.930 19.000 0.021 0.000 0.826 2 A HN 0.369 nan 8.150 nan 0.000 0.444 3 V N 0.004 119.954 119.914 0.059 0.000 2.358 3 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 3 V C 2.429 178.552 176.094 0.047 0.000 1.047 3 V CA 1.905 64.243 62.300 0.064 0.000 1.035 3 V CB -0.658 31.229 31.823 0.108 0.000 0.658 3 V HN 0.557 nan 8.190 nan 0.000 0.452 4 I N 0.544 121.145 120.570 0.051 0.000 2.127 4 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 4 I C 2.359 178.489 176.117 0.022 0.000 1.075 4 I CA 1.712 63.034 61.300 0.036 0.000 1.334 4 I CB -0.432 37.592 38.000 0.040 0.000 1.040 4 I HN 0.364 nan 8.210 nan 0.000 0.405 5 N N 0.863 119.576 118.700 0.022 0.000 2.188 5 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 5 N C 1.768 177.284 175.510 0.010 0.000 1.018 5 N CA 1.483 54.542 53.050 0.014 0.000 0.858 5 N CB -0.380 38.116 38.487 0.015 0.000 0.989 5 N HN 0.369 nan 8.380 nan 0.000 0.426 6 A N 0.593 123.420 122.820 0.012 0.000 1.872 6 A HA 0.148 4.467 4.320 -0.001 0.000 0.214 6 A C 2.261 179.845 177.584 0.000 0.000 1.187 6 A CA 1.688 53.729 52.037 0.006 0.000 0.614 6 A CB -0.773 18.232 19.000 0.007 0.000 0.826 6 A HN 0.287 nan 8.150 nan 0.000 0.442 7 A N 0.054 122.874 122.820 0.001 0.000 1.968 7 A HA 0.002 4.322 4.320 -0.001 0.000 0.217 7 A C 2.475 180.053 177.584 -0.009 0.000 1.169 7 A CA 2.037 54.069 52.037 -0.008 0.000 0.638 7 A CB -0.723 18.270 19.000 -0.011 0.000 0.812 7 A HN 0.888 nan 8.150 nan 0.000 0.446 8 S N -1.889 113.809 115.700 -0.004 0.000 2.377 8 S HA 0.328 4.797 4.470 -0.001 0.000 0.223 8 S C 1.562 176.159 174.600 -0.005 0.000 1.030 8 S CA 1.628 59.826 58.200 -0.005 0.000 0.970 8 S CB -0.191 63.009 63.200 -0.001 0.000 0.830 8 S HN 1.772 nan 8.310 nan 0.000 0.473 9 G N 0.710 109.508 108.800 -0.003 0.000 2.260 9 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.179 9 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.179 9 G C 0.855 175.754 174.900 -0.000 0.000 1.002 9 G CA 0.198 45.296 45.100 -0.003 0.000 0.677 9 G HN 0.419 nan 8.290 nan 0.000 0.486 10 R N -0.084 120.416 120.500 0.001 0.000 2.154 10 R HA 0.003 4.343 4.340 -0.001 0.000 0.248 10 R C 1.150 177.453 176.300 0.004 0.000 1.155 10 R CA 1.814 57.916 56.100 0.003 0.000 0.979 10 R CB -0.017 30.286 30.300 0.004 0.000 0.869 10 R HN 0.538 nan 8.270 nan 0.000 0.452 11 Q N -1.234 118.568 119.800 0.005 0.000 2.416 11 Q HA 0.178 4.518 4.340 -0.001 0.000 0.281 11 Q C -1.133 174.870 176.000 0.005 0.000 1.067 11 Q CA -0.646 55.160 55.803 0.006 0.000 0.809 11 Q CB 2.519 31.261 28.738 0.008 0.000 1.418 11 Q HN 0.113 nan 8.270 nan 0.000 0.411 12 T N -2.103 112.454 114.554 0.006 0.000 2.913 12 T HA 0.155 4.505 4.350 -0.001 0.000 0.297 12 T C 1.381 176.085 174.700 0.007 0.000 1.029 12 T CA -0.633 61.470 62.100 0.006 0.000 1.104 12 T CB 0.758 69.630 68.868 0.007 0.000 0.964 12 T HN 0.358 nan 8.240 nan 0.000 0.532 13 V N 2.054 121.972 119.914 0.006 0.000 2.313 13 V HA -0.247 3.872 4.120 -0.001 0.000 0.253 13 V C 2.483 178.581 176.094 0.007 0.000 1.070 13 V CA 2.383 64.687 62.300 0.005 0.000 1.057 13 V CB -0.756 31.069 31.823 0.004 0.000 0.653 13 V HN 0.936 nan 8.190 nan 0.000 0.450 14 D N -0.587 119.818 120.400 0.009 0.000 2.117 14 D HA -0.179 4.461 4.640 -0.001 0.000 0.198 14 D C 2.105 178.411 176.300 0.010 0.000 0.982 14 D CA 1.385 55.391 54.000 0.010 0.000 0.828 14 D CB -0.062 40.745 40.800 0.012 0.000 0.967 14 D HN 0.575 nan 8.370 nan 0.000 0.464 15 E N 1.002 121.208 120.200 0.010 0.000 2.051 15 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 15 E C 2.221 178.828 176.600 0.010 0.000 0.991 15 E CA 0.891 57.297 56.400 0.010 0.000 0.799 15 E CB -0.037 29.669 29.700 0.009 0.000 0.748 15 E HN 0.170 nan 8.360 nan 0.000 0.449 16 A N 0.785 123.611 122.820 0.010 0.000 1.908 16 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 16 A C 2.126 179.717 177.584 0.011 0.000 1.181 16 A CA 1.215 53.260 52.037 0.012 0.000 0.627 16 A CB -0.537 18.471 19.000 0.013 0.000 0.818 16 A HN 0.167 nan 8.150 nan 0.000 0.445 17 L N -1.305 119.924 121.223 0.010 0.000 2.162 17 L HA -0.054 4.286 4.340 -0.001 0.000 0.205 17 L C 2.554 179.428 176.870 0.006 0.000 1.086 17 L CA 1.397 56.242 54.840 0.009 0.000 0.778 17 L CB -0.301 41.761 42.059 0.006 0.000 0.928 17 L HN 0.415 nan 8.230 nan 0.000 0.446 18 K N 0.121 120.526 120.400 0.008 0.000 2.209 18 K HA -0.188 4.132 4.320 -0.001 0.000 0.204 18 K C 1.376 177.983 176.600 0.012 0.000 1.048 18 K CA 1.468 57.760 56.287 0.010 0.000 0.940 18 K CB 0.142 32.649 32.500 0.012 0.000 0.729 18 K HN 0.228 nan 8.250 nan 0.000 0.451 19 D N 0.098 120.505 120.400 0.012 0.000 2.162 19 D HA -0.045 4.594 4.640 -0.001 0.000 0.203 19 D C 1.700 178.007 176.300 0.012 0.000 0.967 19 D CA 1.100 55.108 54.000 0.014 0.000 0.840 19 D CB -0.094 40.715 40.800 0.014 0.000 0.972 19 D HN 0.286 nan 8.370 nan 0.000 0.482 20 A N 0.776 123.599 122.820 0.006 0.000 1.930 20 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 20 A C 2.126 179.705 177.584 -0.007 0.000 1.175 20 A CA 1.745 53.777 52.037 -0.008 0.000 0.627 20 A CB -0.573 18.415 19.000 -0.020 0.000 0.815 20 A HN 0.145 nan 8.150 nan 0.000 0.443 21 Q N 0.116 119.916 119.800 -0.001 0.000 2.045 21 Q HA -0.161 4.178 4.340 -0.001 0.000 0.206 21 Q C 1.931 177.941 176.000 0.017 0.000 0.991 21 Q CA 2.977 58.780 55.803 0.001 0.000 0.851 21 Q CB -1.012 27.727 28.738 0.002 0.000 0.911 21 Q HN 0.547 nan 8.270 nan 0.000 0.418 22 T N 0.710 115.277 114.554 0.022 0.000 2.857 22 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 22 T C 1.420 176.142 174.700 0.037 0.000 1.048 22 T CA 1.165 63.283 62.100 0.030 0.000 1.139 22 T CB -0.298 68.586 68.868 0.026 0.000 0.874 22 T HN 0.321 nan 8.240 nan 0.000 0.455 23 N N 1.805 120.525 118.700 0.034 0.000 2.080 23 N HA 0.075 4.814 4.740 -0.001 0.000 0.189 23 N C 2.172 177.717 175.510 0.058 0.000 1.036 23 N CA 1.365 54.441 53.050 0.044 0.000 0.846 23 N CB -0.804 37.709 38.487 0.042 0.000 1.015 23 N HN 0.414 nan 8.380 nan 0.000 0.423 24 A N 0.760 123.610 122.820 0.050 0.000 1.933 24 A HA 0.199 4.519 4.320 -0.001 0.000 0.218 24 A C 1.165 178.845 177.584 0.160 0.000 1.175 24 A CA 1.112 53.204 52.037 0.091 0.000 0.628 24 A CB -0.819 18.215 19.000 0.056 0.000 0.814 24 A HN 0.332 nan 8.150 nan 0.000 0.444 25 A N -0.075 122.814 122.820 0.116 0.000 2.404 25 A HA 0.577 4.897 4.320 -0.001 0.000 0.273 25 A C 0.355 178.019 177.584 0.133 0.000 1.144 25 A CA 0.276 52.409 52.037 0.160 0.000 0.806 25 A CB -0.296 18.768 19.000 0.106 0.000 1.080 25 A HN 1.220 nan 8.150 nan 0.000 0.509 26 A N 3.342 126.253 122.820 0.151 0.000 2.305 26 A HA 0.594 4.913 4.320 -0.001 0.000 0.322 26 A C 0.009 177.621 177.584 0.046 0.000 1.187 26 A CA -0.646 51.430 52.037 0.065 0.000 0.825 26 A CB 0.265 19.285 19.000 0.034 0.000 1.164 26 A HN 0.862 nan 8.150 nan 0.000 0.498 27 E N 1.209 121.395 120.200 -0.024 0.000 2.392 27 E HA 0.309 4.658 4.350 -0.001 0.000 0.264 27 E C -0.211 176.271 176.600 -0.197 0.000 1.024 27 E CA 0.028 56.379 56.400 -0.082 0.000 0.903 27 E CB 0.231 29.809 29.700 -0.204 0.000 0.963 27 E HN 0.563 nan 8.360 nan 0.000 0.432 28 F N -0.124 119.845 119.950 0.032 0.000 2.613 28 F HA -0.116 4.410 4.527 -0.001 0.000 0.373 28 F C 0.086 175.893 175.800 0.013 0.000 1.085 28 F CA -0.643 57.369 58.000 0.019 0.000 1.309 28 F CB -0.118 38.892 39.000 0.015 0.000 0.986 28 F HN 0.337 nan 8.300 nan 0.000 0.592 29 D N 2.685 123.161 120.400 0.126 0.000 2.488 29 D HA 0.023 4.662 4.640 -0.001 0.000 0.238 29 D C 0.747 177.177 176.300 0.216 0.000 1.138 29 D CA 0.857 54.901 54.000 0.073 0.000 0.873 29 D CB 0.598 41.436 40.800 0.064 0.000 1.183 29 D HN 0.732 nan 8.370 nan 0.000 0.458 30 D N 0.932 121.399 120.400 0.112 0.000 2.348 30 D HA -0.074 4.565 4.640 -0.001 0.000 0.211 30 D C 0.191 176.554 176.300 0.105 0.000 0.998 30 D CA -0.058 54.062 54.000 0.200 0.000 0.873 30 D CB 0.012 40.901 40.800 0.149 0.000 0.925 30 D HN 0.144 nan 8.370 nan 0.000 0.524 31 V N 1.749 121.686 119.914 0.039 0.000 2.585 31 V HA -0.003 4.116 4.120 -0.001 0.000 0.296 31 V C 0.689 176.710 176.094 -0.121 0.000 1.035 31 V CA -0.163 62.102 62.300 -0.057 0.000 1.084 31 V CB 0.735 32.537 31.823 -0.035 0.000 0.953 31 V HN 0.331 nan 8.190 nan 0.000 0.483 32 M N 6.072 125.481 119.600 -0.319 0.000 2.188 32 M HA 0.247 4.726 4.480 -0.001 0.000 0.354 32 M C 0.540 176.717 176.300 -0.204 0.000 1.342 32 M CA -0.117 55.016 55.300 -0.278 0.000 1.117 32 M CB 0.804 33.141 32.600 -0.439 0.000 1.670 32 M HN 0.912 nan 8.290 nan 0.000 0.466 33 T N 1.323 115.816 114.554 -0.103 0.000 2.902 33 T HA 0.263 4.613 4.350 -0.001 0.000 0.280 33 T C 0.906 175.571 174.700 -0.057 0.000 0.992 33 T CA -0.761 61.297 62.100 -0.071 0.000 1.015 33 T CB 1.416 70.254 68.868 -0.049 0.000 1.044 33 T HN 0.889 nan 8.240 nan 0.000 0.520 34 K N 0.461 120.834 120.400 -0.045 0.000 2.074 34 K HA -0.239 4.080 4.320 -0.001 0.000 0.209 34 K C 2.123 178.708 176.600 -0.025 0.000 1.048 34 K CA 2.047 58.315 56.287 -0.033 0.000 0.926 34 K CB -0.250 32.233 32.500 -0.028 0.000 0.713 34 K HN 0.867 nan 8.250 nan 0.000 0.444 35 E N 0.500 120.685 120.200 -0.026 0.000 2.049 35 E HA -0.245 4.104 4.350 -0.001 0.000 0.198 35 E C 1.709 178.321 176.600 0.021 0.000 1.007 35 E CA 2.014 58.407 56.400 -0.013 0.000 0.809 35 E CB 0.059 29.738 29.700 -0.035 0.000 0.749 35 E HN 0.415 nan 8.360 nan 0.000 0.450 36 E N -0.093 120.118 120.200 0.018 0.000 2.106 36 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 36 E C 2.127 178.787 176.600 0.100 0.000 0.984 36 E CA 1.202 57.648 56.400 0.077 0.000 0.806 36 E CB -0.105 29.616 29.700 0.035 0.000 0.750 36 E HN 0.191 nan 8.360 nan 0.000 0.458 37 Q N 1.133 120.951 119.800 0.030 0.000 2.124 37 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 37 Q C 1.871 177.859 176.000 -0.019 0.000 0.977 37 Q CA 1.373 57.185 55.803 0.016 0.000 0.850 37 Q CB -0.151 28.584 28.738 -0.005 0.000 0.901 37 Q HN 0.334 nan 8.270 nan 0.000 0.429 38 I N -0.176 120.366 120.570 -0.045 0.000 2.315 38 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 38 I C 1.819 177.794 176.117 -0.238 0.000 1.117 38 I CA 0.693 61.884 61.300 -0.182 0.000 1.404 38 I CB -0.263 37.648 38.000 -0.147 0.000 1.071 38 I HN 0.269 nan 8.210 nan 0.000 0.419 39 F N 1.540 121.401 119.950 -0.148 0.000 2.134 39 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 39 F C 2.065 177.819 175.800 -0.078 0.000 1.097 39 F CA 1.681 59.642 58.000 -0.065 0.000 1.264 39 F CB -0.430 38.551 39.000 -0.032 0.000 1.001 39 F HN -0.090 nan 8.300 nan 0.000 0.479 40 L N -0.405 120.641 121.223 -0.296 0.000 2.093 40 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 40 L C 2.512 179.163 176.870 -0.365 0.000 1.085 40 L CA 0.942 55.557 54.840 -0.374 0.000 0.755 40 L CB -0.698 41.292 42.059 -0.115 0.000 0.904 40 L HN 0.209 nan 8.230 nan 0.000 0.435 41 L N -1.186 119.905 121.223 -0.220 0.000 2.093 41 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 41 L C 2.703 179.490 176.870 -0.138 0.000 1.085 41 L CA 0.836 55.614 54.840 -0.104 0.000 0.755 41 L CB -0.606 41.439 42.059 -0.023 0.000 0.904 41 L HN 0.346 nan 8.230 nan 0.000 0.435 42 H N -0.773 118.197 119.070 -0.168 0.000 2.428 42 H HA -0.047 4.509 4.556 -0.001 0.000 0.296 42 H C 2.233 177.345 175.328 -0.359 0.000 1.062 42 H CA 0.937 56.851 56.048 -0.223 0.000 1.350 42 H CB -0.040 29.668 29.762 -0.091 0.000 1.403 42 H HN 0.187 nan 8.280 nan 0.000 0.533 43 R N 0.298 120.591 120.500 -0.345 0.000 2.235 43 R HA 0.041 4.380 4.340 -0.001 0.000 0.213 43 R C 1.964 178.016 176.300 -0.413 0.000 1.059 43 R CA 0.716 56.567 56.100 -0.416 0.000 0.997 43 R CB 0.204 30.134 30.300 -0.617 0.000 0.884 43 R HN 0.246 nan 8.270 nan 0.000 0.462 44 A N -0.245 122.277 122.820 -0.496 0.000 1.997 44 A HA -0.083 4.236 4.320 -0.001 0.000 0.212 44 A C 1.900 179.125 177.584 -0.598 0.000 1.178 44 A CA 0.366 52.089 52.037 -0.522 0.000 0.698 44 A CB -0.163 18.347 19.000 -0.817 0.000 0.842 44 A HN 0.350 nan 8.150 nan 0.000 0.458 45 Q N -0.012 119.160 119.800 -1.048 0.000 2.050 45 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 45 Q C 2.184 177.740 176.000 -0.740 0.000 0.980 45 Q CA 1.783 56.626 55.803 -1.601 0.000 0.840 45 Q CB -0.374 27.519 28.738 -1.409 0.000 0.898 45 Q HN 0.578 nan 8.270 nan 0.000 0.424 46 A N 0.808 123.346 122.820 -0.470 0.000 1.873 46 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 46 A C 2.003 179.455 177.584 -0.221 0.000 1.193 46 A CA 1.918 53.785 52.037 -0.284 0.000 0.629 46 A CB -0.967 17.904 19.000 -0.216 0.000 0.826 46 A HN 0.607 nan 8.150 nan 0.000 0.447 47 Q N -1.381 118.287 119.800 -0.220 0.000 2.364 47 Q HA -0.181 4.159 4.340 -0.001 0.000 0.209 47 Q C 2.126 178.075 176.000 -0.085 0.000 0.977 47 Q CA 1.383 57.107 55.803 -0.133 0.000 0.885 47 Q CB -0.327 28.337 28.738 -0.124 0.000 0.941 47 Q HN 0.771 nan 8.270 nan 0.000 0.464 48 c N 0.615 119.142 118.600 -0.122 0.000 2.522 48 c HA -0.030 4.540 4.570 -0.001 0.000 0.280 48 c C 2.248 176.328 174.090 -0.016 0.000 1.303 48 c CA 0.424 56.745 56.329 -0.014 0.000 1.709 48 c CB -0.462 42.085 42.510 0.063 0.000 2.071 48 c HN 0.536 nan 8.230 nan 0.000 0.492 49 E N 1.005 121.149 120.200 -0.092 0.000 2.086 49 E HA -0.303 4.047 4.350 -0.001 0.000 0.200 49 E C 2.011 178.595 176.600 -0.026 0.000 1.012 49 E CA 1.355 57.721 56.400 -0.056 0.000 0.812 49 E CB -0.612 29.033 29.700 -0.092 0.000 0.743 49 E HN 0.672 nan 8.360 nan 0.000 0.453 50 K N 0.775 121.150 120.400 -0.042 0.000 2.026 50 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 50 K C 2.321 178.923 176.600 0.003 0.000 1.048 50 K CA 1.048 57.321 56.287 -0.024 0.000 0.929 50 K CB 0.039 32.517 32.500 -0.037 0.000 0.713 50 K HN -0.028 nan 8.250 nan 0.000 0.439 51 R N 0.265 120.775 120.500 0.017 0.000 2.148 51 R HA -0.084 4.255 4.340 -0.001 0.000 0.223 51 R C 2.244 178.579 176.300 0.059 0.000 1.088 51 R CA 0.527 56.652 56.100 0.042 0.000 0.985 51 R CB -0.179 30.155 30.300 0.058 0.000 0.880 51 R HN 0.175 nan 8.270 nan 0.000 0.451 52 L N 1.567 122.830 121.223 0.065 0.000 2.072 52 L HA -0.090 4.250 4.340 -0.001 0.000 0.205 52 L C 1.742 178.644 176.870 0.053 0.000 1.079 52 L CA 1.805 56.691 54.840 0.077 0.000 0.752 52 L CB -0.229 41.887 42.059 0.094 0.000 0.906 52 L HN -0.095 nan 8.230 nan 0.000 0.436 53 K N -0.608 119.813 120.400 0.035 0.000 2.209 53 K HA -0.166 4.153 4.320 -0.001 0.000 0.204 53 K C 1.801 178.415 176.600 0.023 0.000 1.048 53 K CA 1.526 57.828 56.287 0.024 0.000 0.940 53 K CB 0.035 32.541 32.500 0.010 0.000 0.729 53 K HN 0.431 nan 8.250 nan 0.000 0.451 54 E N -0.243 119.972 120.200 0.026 0.000 2.364 54 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 54 E C 1.698 178.317 176.600 0.031 0.000 0.990 54 E CA 0.015 56.429 56.400 0.024 0.000 0.886 54 E CB 0.538 30.250 29.700 0.020 0.000 0.866 54 E HN -0.043 nan 8.360 nan 0.000 0.493 55 V N 0.942 120.880 119.914 0.042 0.000 2.379 55 V HA -0.181 3.938 4.120 -0.001 0.000 0.245 55 V C 1.984 178.102 176.094 0.038 0.000 1.044 55 V CA 1.322 63.649 62.300 0.046 0.000 1.036 55 V CB -0.169 31.692 31.823 0.064 0.000 0.664 55 V HN 0.301 nan 8.190 nan 0.000 0.453 56 L N -0.634 120.612 121.223 0.039 0.000 2.478 56 L HA -0.105 4.234 4.340 -0.001 0.000 0.223 56 L C 2.403 179.287 176.870 0.024 0.000 1.140 56 L CA 0.816 55.675 54.840 0.032 0.000 0.842 56 L CB -0.372 41.709 42.059 0.036 0.000 0.953 56 L HN 0.360 nan 8.230 nan 0.000 0.452 57 Q N 0.290 120.104 119.800 0.022 0.000 2.291 57 Q HA -0.096 4.244 4.340 -0.001 0.000 0.205 57 Q C 0.970 176.979 176.000 0.016 0.000 0.970 57 Q CA 0.785 56.598 55.803 0.017 0.000 0.876 57 Q CB 0.290 29.037 28.738 0.015 0.000 0.935 57 Q HN 0.483 nan 8.270 nan 0.000 0.455 107 P HA 0.390 nan 4.420 nan 0.000 0.279 107 P C -0.242 176.934 177.300 -0.208 0.000 1.252 107 P CA -0.559 62.465 63.100 -0.126 0.000 0.811 107 P CB 0.691 32.353 31.700 -0.064 0.000 1.035 108 c N 1.810 120.172 118.600 -0.397 0.000 2.632 108 c HA 0.231 4.801 4.570 -0.001 0.000 0.415 108 c C 1.164 175.080 174.090 -0.289 0.000 1.332 108 c CA -0.486 55.438 56.329 -0.675 0.000 1.874 108 c CB -1.193 40.257 42.510 -1.767 0.000 2.596 108 c HN 0.418 nan 8.230 nan 0.000 0.590 109 L N 6.289 127.476 121.223 -0.061 0.000 2.380 109 L HA 0.237 4.576 4.340 -0.001 0.000 0.273 109 L C -1.691 175.447 176.870 0.446 0.000 1.138 109 L CA -1.204 53.742 54.840 0.176 0.000 0.832 109 L CB 0.476 42.621 42.059 0.144 0.000 1.124 109 L HN 0.405 nan 8.230 nan 0.000 0.454 110 P HA -0.039 nan 4.420 nan 0.000 0.260 110 P C -0.942 176.571 177.300 0.355 0.000 1.172 110 P CA 0.429 63.761 63.100 0.387 0.000 0.760 110 P CB 0.257 32.111 31.700 0.257 0.000 0.773 111 E N 2.903 123.323 120.200 0.366 0.000 2.433 111 E HA 0.434 4.784 4.350 -0.001 0.000 0.278 111 E C -1.506 175.302 176.600 0.346 0.000 0.976 111 E CA -1.095 55.485 56.400 0.300 0.000 0.793 111 E CB 1.705 31.546 29.700 0.234 0.000 1.311 111 E HN 0.411 nan 8.360 nan 0.000 0.460 112 W N 3.886 125.240 121.300 0.090 0.000 2.376 112 W HA 0.263 4.923 4.660 -0.001 0.000 0.312 112 W C -1.104 175.394 176.519 -0.035 0.000 1.060 112 W CA -0.579 56.800 57.345 0.056 0.000 1.221 112 W CB 1.574 31.043 29.460 0.015 0.000 1.281 112 W HN 0.827 nan 8.180 nan 0.000 0.456 113 D N 4.033 124.058 120.400 -0.625 0.000 2.643 113 D HA 0.041 4.681 4.640 -0.001 0.000 0.244 113 D C 0.671 176.515 176.300 -0.761 0.000 1.257 113 D CA -0.266 53.397 54.000 -0.562 0.000 0.831 113 D CB -0.549 40.186 40.800 -0.108 0.000 1.043 113 D HN 0.572 nan 8.370 nan 0.000 0.488 114 H N -1.104 117.256 119.070 -1.183 0.000 4.089 114 H HA -0.168 4.387 4.556 -0.001 0.000 0.142 114 H C 0.755 175.721 175.328 -0.604 0.000 0.778 114 H CA 1.350 57.054 56.048 -0.575 0.000 1.258 114 H CB -1.464 28.225 29.762 -0.122 0.000 0.810 114 H HN 0.389 nan 8.280 nan 0.000 0.487 115 I N -0.694 119.400 120.570 -0.793 0.000 3.814 115 I HA 0.143 4.312 4.170 -0.001 0.000 0.264 115 I C 0.798 176.694 176.117 -0.368 0.000 1.145 115 I CA 0.121 61.180 61.300 -0.402 0.000 1.375 115 I CB 0.997 38.866 38.000 -0.219 0.000 1.638 115 I HN -0.147 nan 8.210 nan 0.000 0.432 116 L N 0.109 121.098 121.223 -0.391 0.000 2.335 116 L HA 0.432 4.772 4.340 -0.001 0.000 0.268 116 L C -0.942 175.782 176.870 -0.244 0.000 1.016 116 L CA -0.664 54.014 54.840 -0.269 0.000 0.805 116 L CB 2.462 44.193 42.059 -0.547 0.000 1.311 116 L HN 0.212 nan 8.230 nan 0.000 0.456 117 c N 0.923 119.484 118.600 -0.066 0.000 2.386 117 c HA 0.473 5.043 4.570 -0.001 0.000 0.318 117 c C -0.801 173.275 174.090 -0.023 0.000 1.128 117 c CA -0.904 55.513 56.329 0.147 0.000 1.438 117 c CB -0.732 41.990 42.510 0.354 0.000 1.987 117 c HN 0.621 nan 8.230 nan 0.000 0.426 118 W N 7.452 128.760 121.300 0.014 0.000 2.266 118 W HA 0.397 5.056 4.660 -0.001 0.000 0.317 118 W C -1.748 174.846 176.519 0.125 0.000 1.310 118 W CA -1.705 55.616 57.345 -0.040 0.000 1.207 118 W CB 0.385 29.637 29.460 -0.347 0.000 1.199 118 W HN 0.555 nan 8.180 nan 0.000 0.544 119 P HA 0.196 nan 4.420 nan 0.000 0.279 119 P C -0.535 177.018 177.300 0.422 0.000 1.276 119 P CA -0.650 62.639 63.100 0.314 0.000 0.801 119 P CB 0.933 32.762 31.700 0.214 0.000 1.127 120 L N 0.280 121.675 121.223 0.286 0.000 2.706 120 L HA 0.041 4.381 4.340 -0.001 0.000 0.282 120 L C 1.406 178.403 176.870 0.213 0.000 1.219 120 L CA 0.526 55.495 54.840 0.216 0.000 0.935 120 L CB -0.848 41.285 42.059 0.124 0.000 1.204 120 L HN 0.484 nan 8.230 nan 0.000 0.491 121 G N 2.996 111.852 108.800 0.094 0.000 2.356 121 G HA2 0.571 4.530 3.960 -0.001 0.000 0.298 121 G HA3 0.571 4.530 3.960 -0.001 0.000 0.298 121 G C -0.276 174.586 174.900 -0.064 0.000 1.145 121 G CA -0.397 44.707 45.100 0.007 0.000 0.850 121 G HN 0.849 nan 8.290 nan 0.000 0.487 122 A N 4.672 127.497 122.820 0.009 0.000 2.404 122 A HA 0.592 4.911 4.320 -0.001 0.000 0.273 122 A C -1.798 175.754 177.584 -0.052 0.000 1.144 122 A CA -1.231 50.799 52.037 -0.012 0.000 0.806 122 A CB 0.125 19.140 19.000 0.025 0.000 1.080 122 A HN 0.534 nan 8.150 nan 0.000 0.509 123 P HA 0.130 nan 4.420 nan 0.000 0.264 123 P C 1.019 178.285 177.300 -0.057 0.000 1.193 123 P CA 1.642 64.687 63.100 -0.092 0.000 0.763 123 P CB 0.752 32.404 31.700 -0.080 0.000 0.810 124 G N 1.749 110.513 108.800 -0.059 0.000 2.225 124 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.254 124 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.254 124 G C 0.121 175.011 174.900 -0.017 0.000 0.988 124 G CA -0.130 44.946 45.100 -0.039 0.000 0.625 124 G HN 0.557 nan 8.290 nan 0.000 0.527 125 E N 0.056 120.257 120.200 0.002 0.000 2.250 125 E HA 0.540 4.890 4.350 -0.001 0.000 0.269 125 E C 0.377 177.031 176.600 0.090 0.000 1.018 125 E CA -0.664 55.760 56.400 0.039 0.000 0.873 125 E CB 1.994 31.725 29.700 0.053 0.000 1.134 125 E HN 0.145 nan 8.360 nan 0.000 0.403 126 V N 2.090 122.067 119.914 0.105 0.000 2.508 126 V HA 0.064 4.183 4.120 -0.001 0.000 0.281 126 V C 0.182 176.429 176.094 0.255 0.000 1.041 126 V CA -0.386 62.023 62.300 0.182 0.000 1.016 126 V CB 1.142 33.040 31.823 0.125 0.000 0.984 126 V HN 0.317 nan 8.190 nan 0.000 0.478 127 V N 5.210 125.342 119.914 0.365 0.000 2.350 127 V HA 0.608 4.727 4.120 -0.001 0.000 0.276 127 V C 0.552 176.923 176.094 0.461 0.000 1.028 127 V CA -0.433 62.114 62.300 0.411 0.000 0.860 127 V CB 1.290 33.446 31.823 0.556 0.000 0.990 127 V HN 0.976 nan 8.190 nan 0.000 0.453 128 A N 5.383 128.424 122.820 0.368 0.000 2.290 128 A HA 0.805 5.124 4.320 -0.001 0.000 0.310 128 A C -0.601 177.086 177.584 0.173 0.000 1.202 128 A CA -0.417 51.781 52.037 0.268 0.000 0.837 128 A CB 1.098 20.250 19.000 0.253 0.000 1.139 128 A HN 0.656 nan 8.150 nan 0.000 0.509 129 V N 4.610 124.505 119.914 -0.032 0.000 2.638 129 V HA 0.375 4.494 4.120 -0.001 0.000 0.306 129 V C -2.544 173.334 176.094 -0.360 0.000 1.052 129 V CA -1.709 60.471 62.300 -0.201 0.000 0.885 129 V CB 2.190 33.703 31.823 -0.517 0.000 0.999 129 V HN 0.793 nan 8.190 nan 0.000 0.424 130 P HA 0.128 nan 4.420 nan 0.000 0.267 130 P C -0.221 176.822 177.300 -0.428 0.000 1.209 130 P CA -0.342 62.404 63.100 -0.591 0.000 0.763 130 P CB 0.088 31.549 31.700 -0.399 0.000 0.816 131 c N 7.263 125.613 118.600 -0.417 0.000 2.437 131 c HA 0.022 4.592 4.570 -0.001 0.000 0.399 131 c C -1.405 172.588 174.090 -0.162 0.000 1.478 131 c CA -0.564 55.612 56.329 -0.255 0.000 1.538 131 c CB -1.304 41.053 42.510 -0.256 0.000 2.506 131 c HN 0.516 nan 8.230 nan 0.000 0.603 132 P HA 0.087 nan 4.420 nan 0.000 0.271 132 P C 0.589 177.703 177.300 -0.310 0.000 1.220 132 P CA 0.350 63.186 63.100 -0.438 0.000 0.768 132 P CB 0.570 31.687 31.700 -0.973 0.000 0.848 133 D N 3.167 123.417 120.400 -0.251 0.000 2.219 133 D HA -0.216 4.424 4.640 -0.001 0.000 0.205 133 D C 1.369 177.538 176.300 -0.218 0.000 0.970 133 D CA 1.322 55.178 54.000 -0.240 0.000 0.851 133 D CB -0.752 39.897 40.800 -0.252 0.000 0.943 133 D HN 0.526 nan 8.370 nan 0.000 0.488 134 Y N 0.583 120.866 120.300 -0.028 0.000 2.571 134 Y HA 0.175 4.725 4.550 -0.001 0.000 0.294 134 Y C 1.179 177.079 175.900 0.001 0.000 1.141 134 Y CA -0.429 57.657 58.100 -0.023 0.000 1.308 134 Y CB -0.328 38.111 38.460 -0.035 0.000 1.002 134 Y HN -0.196 nan 8.280 nan 0.000 0.551 135 I N 2.060 122.529 120.570 -0.168 0.000 2.294 135 I HA -0.057 4.112 4.170 -0.001 0.000 0.295 135 I C 1.057 177.180 176.117 0.011 0.000 1.098 135 I CA -0.614 60.565 61.300 -0.202 0.000 1.277 135 I CB -0.424 37.123 38.000 -0.755 0.000 1.434 135 I HN 0.293 nan 8.210 nan 0.000 0.498 136 Y N 6.154 126.443 120.300 -0.018 0.000 2.114 136 Y HA -0.293 4.257 4.550 -0.001 0.000 0.282 136 Y C 1.855 177.775 175.900 0.034 0.000 1.165 136 Y CA 2.033 60.170 58.100 0.063 0.000 1.148 136 Y CB 0.253 38.729 38.460 0.027 0.000 0.972 136 Y HN 0.534 nan 8.280 nan 0.000 0.504 137 D N -0.544 119.896 120.400 0.067 0.000 2.347 137 D HA -0.063 4.576 4.640 -0.001 0.000 0.215 137 D C 0.346 176.596 176.300 -0.083 0.000 0.976 137 D CA 0.426 54.420 54.000 -0.009 0.000 0.884 137 D CB -0.202 40.614 40.800 0.027 0.000 0.915 137 D HN 0.094 nan 8.370 nan 0.000 0.526 138 F N 1.207 120.931 119.950 -0.378 0.000 2.390 138 F HA 0.133 4.660 4.527 -0.001 0.000 0.307 138 F C 1.247 176.610 175.800 -0.728 0.000 1.227 138 F CA -1.363 56.326 58.000 -0.518 0.000 1.179 138 F CB -0.150 38.578 39.000 -0.453 0.000 1.280 138 F HN -0.206 nan 8.300 nan 0.000 0.548 139 N N -0.284 118.184 118.700 -0.388 0.000 2.500 139 N HA 0.123 4.863 4.740 -0.001 0.000 0.236 139 N C -0.219 175.071 175.510 -0.367 0.000 1.022 139 N CA -0.148 52.670 53.050 -0.387 0.000 0.935 139 N CB 0.021 38.362 38.487 -0.244 0.000 1.147 139 N HN 0.428 nan 8.380 nan 0.000 0.512 140 H N 1.562 120.568 119.070 -0.106 0.000 2.556 140 H HA 0.135 4.690 4.556 -0.001 0.000 0.268 140 H C 0.958 176.190 175.328 -0.159 0.000 0.996 140 H CA 0.400 56.368 56.048 -0.133 0.000 1.157 140 H CB 0.558 30.244 29.762 -0.126 0.000 1.355 140 H HN 0.456 nan 8.280 nan 0.000 0.597 141 K N 0.542 120.905 120.400 -0.063 0.000 2.284 141 K HA 0.098 4.417 4.320 -0.001 0.000 0.198 141 K C 1.398 177.931 176.600 -0.112 0.000 1.048 141 K CA 0.411 56.657 56.287 -0.069 0.000 0.987 141 K CB 0.247 32.730 32.500 -0.028 0.000 0.800 141 K HN 0.307 nan 8.250 nan 0.000 0.486 142 G N 0.537 109.251 108.800 -0.144 0.000 2.631 142 G HA2 0.104 4.064 3.960 -0.001 0.000 0.271 142 G HA3 0.104 4.064 3.960 -0.001 0.000 0.271 142 G C -0.843 173.886 174.900 -0.286 0.000 1.302 142 G CA -0.145 44.887 45.100 -0.114 0.000 1.002 142 G HN 0.231 nan 8.290 nan 0.000 0.519 143 H N -1.781 117.118 119.070 -0.285 0.000 2.768 143 H HA 0.624 5.179 4.556 -0.001 0.000 0.371 143 H C 0.137 174.988 175.328 -0.794 0.000 1.151 143 H CA 0.182 55.928 56.048 -0.503 0.000 1.165 143 H CB 1.963 31.412 29.762 -0.523 0.000 1.722 143 H HN 0.733 nan 8.280 nan 0.000 0.543 144 A N 2.177 124.568 122.820 -0.715 0.000 2.306 144 A HA 0.673 4.992 4.320 -0.001 0.000 0.330 144 A C -1.436 175.774 177.584 -0.623 0.000 1.146 144 A CA -0.483 51.087 52.037 -0.777 0.000 0.827 144 A CB 0.474 18.894 19.000 -0.966 0.000 1.178 144 A HN 0.654 nan 8.150 nan 0.000 0.490 145 Y N 0.192 120.498 120.300 0.009 0.000 2.462 145 Y HA 0.670 5.220 4.550 -0.001 0.000 0.346 145 Y C 0.444 176.291 175.900 -0.089 0.000 0.976 145 Y CA -0.591 57.580 58.100 0.118 0.000 1.044 145 Y CB 2.180 40.708 38.460 0.113 0.000 1.230 145 Y HN 0.694 nan 8.280 nan 0.000 0.455 146 R N 1.618 122.203 120.500 0.142 0.000 2.744 146 R HA 0.548 4.887 4.340 -0.001 0.000 0.279 146 R C -1.072 175.481 176.300 0.423 0.000 0.977 146 R CA -1.240 54.895 56.100 0.059 0.000 0.906 146 R CB 2.443 32.310 30.300 -0.721 0.000 1.197 146 R HN 0.678 nan 8.270 nan 0.000 0.463 147 R N 0.889 121.671 120.500 0.471 0.000 2.221 147 R HA 0.243 4.582 4.340 -0.001 0.000 0.327 147 R C -0.456 176.017 176.300 0.288 0.000 1.033 147 R CA -0.359 55.896 56.100 0.259 0.000 0.887 147 R CB 1.177 31.490 30.300 0.021 0.000 1.057 147 R HN 0.429 nan 8.270 nan 0.000 0.455 148 c N 4.734 123.438 118.600 0.173 0.000 2.246 148 c HA 0.184 4.753 4.570 -0.001 0.000 0.329 148 c C 0.335 174.365 174.090 -0.100 0.000 1.221 148 c CA -0.797 55.474 56.329 -0.098 0.000 1.697 148 c CB -1.022 41.266 42.510 -0.371 0.000 2.312 148 c HN 0.911 nan 8.230 nan 0.000 0.509 149 D N 4.405 124.743 120.400 -0.103 0.000 2.371 149 D HA 0.157 4.796 4.640 -0.001 0.000 0.242 149 D C 1.217 177.461 176.300 -0.094 0.000 1.218 149 D CA -0.421 53.532 54.000 -0.079 0.000 0.945 149 D CB 0.713 41.478 40.800 -0.058 0.000 1.137 149 D HN 0.488 nan 8.370 nan 0.000 0.464 150 R N 0.549 121.007 120.500 -0.070 0.000 2.185 150 R HA -0.165 4.174 4.340 -0.001 0.000 0.247 150 R C 0.660 176.918 176.300 -0.069 0.000 1.159 150 R CA 1.403 57.465 56.100 -0.063 0.000 0.988 150 R CB -0.860 29.410 30.300 -0.049 0.000 0.871 150 R HN 0.611 nan 8.270 nan 0.000 0.458 151 N N -1.404 117.251 118.700 -0.075 0.000 2.236 151 N HA 0.114 4.854 4.740 -0.001 0.000 0.196 151 N C 0.530 175.982 175.510 -0.096 0.000 1.114 151 N CA 0.645 53.653 53.050 -0.071 0.000 0.859 151 N CB 1.266 39.721 38.487 -0.052 0.000 0.982 151 N HN 0.308 nan 8.380 nan 0.000 0.493 152 G N -0.414 108.300 108.800 -0.143 0.000 2.132 152 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.228 152 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.228 152 G C -0.186 174.557 174.900 -0.262 0.000 1.000 152 G CA -0.139 44.834 45.100 -0.212 0.000 0.693 152 G HN 0.272 nan 8.290 nan 0.000 0.515 153 S N -0.704 114.870 115.700 -0.209 0.000 2.509 153 S HA 0.621 5.090 4.470 -0.001 0.000 0.297 153 S C -0.066 174.434 174.600 -0.166 0.000 1.118 153 S CA -0.623 57.475 58.200 -0.169 0.000 1.074 153 S CB 0.846 64.019 63.200 -0.045 0.000 1.038 153 S HN 0.351 nan 8.310 nan 0.000 0.498 154 W N 2.204 123.493 121.300 -0.018 0.000 2.308 154 W HA 0.241 4.900 4.660 -0.001 0.000 0.324 154 W C 0.884 177.395 176.519 -0.014 0.000 1.387 154 W CA -0.235 57.087 57.345 -0.038 0.000 1.250 154 W CB 0.167 29.573 29.460 -0.090 0.000 1.257 154 W HN 0.590 nan 8.180 nan 0.000 0.554 155 E N 2.676 123.020 120.200 0.241 0.000 2.481 155 E HA 0.050 4.400 4.350 -0.001 0.000 0.263 155 E C -0.706 176.003 176.600 0.181 0.000 0.992 155 E CA 0.377 56.858 56.400 0.135 0.000 0.938 155 E CB 0.355 30.092 29.700 0.061 0.000 0.933 155 E HN 0.323 nan 8.360 nan 0.000 0.453 156 L N 3.400 124.692 121.223 0.115 0.000 2.331 156 L HA 0.360 4.699 4.340 -0.001 0.000 0.275 156 L C -0.477 176.479 176.870 0.142 0.000 1.022 156 L CA -1.510 53.415 54.840 0.142 0.000 0.812 156 L CB 1.665 43.785 42.059 0.101 0.000 1.257 156 L HN 0.317 nan 8.230 nan 0.000 0.435 157 V N 2.943 122.987 119.914 0.216 0.000 2.584 157 V HA -0.018 4.101 4.120 -0.001 0.000 0.303 157 V C -1.934 174.175 176.094 0.026 0.000 1.035 157 V CA -0.877 61.543 62.300 0.200 0.000 1.172 157 V CB -0.189 31.771 31.823 0.229 0.000 0.896 157 V HN 0.612 nan 8.190 nan 0.000 0.486 158 P HA 0.118 nan 4.420 nan 0.000 0.260 158 P C 1.006 178.164 177.300 -0.237 0.000 1.185 158 P CA 1.445 64.468 63.100 -0.127 0.000 0.763 158 P CB 0.317 31.941 31.700 -0.128 0.000 0.776 159 G N 1.465 110.193 108.800 -0.121 0.000 2.175 159 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.265 159 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.265 159 G C 0.205 175.167 174.900 0.104 0.000 0.979 159 G CA 0.169 45.231 45.100 -0.063 0.000 0.663 159 G HN 0.639 nan 8.290 nan 0.000 0.533 160 H N -0.832 118.264 119.070 0.043 0.000 2.797 160 H HA 0.519 5.074 4.556 -0.001 0.000 0.362 160 H C 0.062 175.422 175.328 0.053 0.000 1.183 160 H CA -1.466 54.611 56.048 0.048 0.000 1.197 160 H CB 0.771 30.567 29.762 0.056 0.000 1.835 160 H HN 0.178 nan 8.280 nan 0.000 0.567 161 N N 0.756 119.569 118.700 0.188 0.000 3.228 161 N HA 0.332 5.071 4.740 -0.001 0.000 0.289 161 N C -0.586 174.993 175.510 0.115 0.000 1.419 161 N CA -0.232 52.891 53.050 0.122 0.000 1.088 161 N CB 0.696 39.233 38.487 0.084 0.000 1.357 161 N HN 0.127 nan 8.380 nan 0.000 0.504 162 R N -0.422 120.162 120.500 0.140 0.000 2.725 162 R HA 0.419 4.758 4.340 -0.001 0.000 0.277 162 R C -0.777 175.594 176.300 0.118 0.000 0.987 162 R CA -0.721 55.448 56.100 0.116 0.000 0.901 162 R CB 1.586 31.960 30.300 0.124 0.000 1.207 162 R HN 0.118 nan 8.270 nan 0.000 0.463 163 T N 1.701 116.298 114.554 0.071 0.000 2.799 163 T HA 0.009 4.358 4.350 -0.001 0.000 0.296 163 T C -0.547 174.184 174.700 0.053 0.000 0.947 163 T CA -0.203 61.926 62.100 0.049 0.000 1.141 163 T CB 0.203 69.023 68.868 -0.079 0.000 0.891 163 T HN 0.375 nan 8.240 nan 0.000 0.533 164 W N 3.756 125.027 121.300 -0.048 0.000 2.251 164 W HA 0.447 5.107 4.660 -0.001 0.000 0.327 164 W C -0.239 176.201 176.519 -0.131 0.000 1.361 164 W CA -0.241 57.077 57.345 -0.045 0.000 1.234 164 W CB 0.062 29.509 29.460 -0.022 0.000 1.212 164 W HN 0.733 nan 8.180 nan 0.000 0.557 165 A N 6.129 128.395 122.820 -0.923 0.000 2.517 165 A HA 0.318 4.638 4.320 -0.001 0.000 0.297 165 A C -1.483 175.466 177.584 -1.058 0.000 1.050 165 A CA -0.917 50.529 52.037 -0.985 0.000 0.694 165 A CB 1.430 20.161 19.000 -0.448 0.000 1.277 165 A HN 0.632 nan 8.150 nan 0.000 0.400 166 N N 1.721 119.830 118.700 -0.986 0.000 2.424 166 N HA 0.361 5.100 4.740 -0.001 0.000 0.271 166 N C -1.286 174.081 175.510 -0.237 0.000 0.985 166 N CA -0.047 52.733 53.050 -0.448 0.000 0.921 166 N CB 0.823 39.180 38.487 -0.216 0.000 1.149 166 N HN 0.618 nan 8.380 nan 0.000 0.492 167 Y N 1.220 121.428 120.300 -0.153 0.000 2.696 167 Y HA 0.094 4.643 4.550 -0.001 0.000 0.260 167 Y C 1.900 177.661 175.900 -0.233 0.000 1.165 167 Y CA -0.199 57.776 58.100 -0.209 0.000 1.189 167 Y CB 0.495 38.825 38.460 -0.218 0.000 1.180 167 Y HN 0.613 nan 8.280 nan 0.000 0.538 168 S N -1.368 114.334 115.700 0.004 0.000 2.453 168 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 168 S C 1.543 176.106 174.600 -0.062 0.000 1.005 168 S CA 0.889 59.082 58.200 -0.012 0.000 0.949 168 S CB -0.023 63.200 63.200 0.038 0.000 0.774 168 S HN 0.512 nan 8.310 nan 0.000 0.510 169 E N 0.315 120.477 120.200 -0.064 0.000 2.152 169 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 169 E C 1.833 178.292 176.600 -0.235 0.000 0.983 169 E CA 1.073 57.416 56.400 -0.095 0.000 0.818 169 E CB -0.213 29.471 29.700 -0.027 0.000 0.758 169 E HN 0.618 nan 8.360 nan 0.000 0.467 170 c N 0.628 118.998 118.600 -0.383 0.000 2.543 170 c HA -0.014 4.555 4.570 -0.001 0.000 0.281 170 c C 1.348 174.945 174.090 -0.822 0.000 1.276 170 c CA -0.258 55.645 56.329 -0.710 0.000 1.700 170 c CB -0.822 41.033 42.510 -1.092 0.000 2.093 170 c HN 0.224 nan 8.230 nan 0.000 0.488 171 V N 1.036 120.487 119.914 -0.771 0.000 2.694 171 V HA 0.235 4.355 4.120 -0.001 0.000 0.306 171 V C 0.132 175.966 176.094 -0.434 0.000 1.054 171 V CA 0.714 62.623 62.300 -0.652 0.000 1.161 171 V CB 0.191 31.807 31.823 -0.345 0.000 0.916 171 V HN 0.363 nan 8.190 nan 0.000 0.490 172 K N 3.677 123.789 120.400 -0.480 0.000 3.123 172 K HA 0.367 4.686 4.320 -0.001 0.000 0.209 172 K C 0.475 176.975 176.600 -0.167 0.000 1.132 172 K CA -0.101 56.038 56.287 -0.247 0.000 0.992 172 K CB 0.327 32.718 32.500 -0.181 0.000 0.773 172 K HN 0.820 nan 8.250 nan 0.000 0.458 173 F N 0.114 120.075 119.950 0.019 0.000 2.126 173 F HA -0.250 4.276 4.527 -0.001 0.000 0.299 173 F C 2.056 177.865 175.800 0.015 0.000 1.096 173 F CA 0.838 58.854 58.000 0.026 0.000 1.255 173 F CB -0.064 38.950 39.000 0.023 0.000 0.997 173 F HN 0.124 nan 8.300 nan 0.000 0.479 174 L N -0.238 121.090 121.223 0.175 0.000 2.044 174 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 174 L C 2.283 179.191 176.870 0.063 0.000 1.075 174 L CA 1.970 56.871 54.840 0.101 0.000 0.747 174 L CB -1.201 40.901 42.059 0.073 0.000 0.903 174 L HN 0.013 nan 8.230 nan 0.000 0.435 175 T N 0.239 114.815 114.554 0.037 0.000 2.652 175 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 175 T C 1.728 176.445 174.700 0.029 0.000 1.039 175 T CA 1.629 63.740 62.100 0.019 0.000 1.153 175 T CB -0.382 68.481 68.868 -0.008 0.000 0.863 175 T HN 0.346 nan 8.240 nan 0.000 0.428 176 N N 0.933 119.653 118.700 0.033 0.000 2.094 176 N HA -0.141 4.598 4.740 -0.001 0.000 0.191 176 N C 1.864 177.415 175.510 0.068 0.000 1.023 176 N CA 1.319 54.401 53.050 0.054 0.000 0.857 176 N CB -0.382 38.145 38.487 0.068 0.000 1.013 176 N HN 0.645 nan 8.380 nan 0.000 0.426 177 E N 0.097 120.341 120.200 0.073 0.000 2.028 177 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 177 E C 1.390 178.017 176.600 0.044 0.000 0.988 177 E CA 1.487 57.921 56.400 0.057 0.000 0.799 177 E CB -0.042 29.690 29.700 0.053 0.000 0.755 177 E HN 0.199 nan 8.360 nan 0.000 0.447 178 T N 0.835 115.413 114.554 0.041 0.000 2.720 178 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 178 T C 1.861 176.587 174.700 0.043 0.000 1.037 178 T CA 1.523 63.644 62.100 0.035 0.000 1.144 178 T CB -0.262 68.623 68.868 0.029 0.000 0.864 178 T HN 0.186 nan 8.240 nan 0.000 0.444 179 R N 0.740 121.267 120.500 0.045 0.000 2.057 179 R HA -0.042 4.297 4.340 -0.001 0.000 0.229 179 R C 2.450 178.792 176.300 0.069 0.000 1.136 179 R CA 1.566 57.697 56.100 0.051 0.000 0.952 179 R CB -0.171 30.156 30.300 0.045 0.000 0.848 179 R HN 0.432 nan 8.270 nan 0.000 0.430 180 E N -0.138 120.106 120.200 0.075 0.000 2.110 180 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 180 E C 2.047 178.718 176.600 0.119 0.000 0.988 180 E CA 0.961 57.418 56.400 0.095 0.000 0.804 180 E CB 0.057 29.809 29.700 0.088 0.000 0.745 180 E HN 0.058 nan 8.360 nan 0.000 0.458 181 R N 1.209 121.762 120.500 0.088 0.000 2.105 181 R HA -0.194 4.146 4.340 -0.001 0.000 0.239 181 R C 1.966 178.363 176.300 0.162 0.000 1.135 181 R CA 1.862 58.023 56.100 0.102 0.000 0.967 181 R CB -0.391 29.934 30.300 0.042 0.000 0.861 181 R HN 0.079 nan 8.270 nan 0.000 0.442 182 E N -0.446 119.824 120.200 0.115 0.000 2.085 182 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 182 E C 1.757 178.430 176.600 0.122 0.000 0.994 182 E CA 1.797 58.259 56.400 0.104 0.000 0.801 182 E CB -0.202 29.540 29.700 0.069 0.000 0.743 182 E HN 0.199 nan 8.360 nan 0.000 0.453 183 V N 0.548 120.541 119.914 0.131 0.000 2.358 183 V HA -0.174 3.946 4.120 -0.001 0.000 0.246 183 V C 2.191 178.383 176.094 0.164 0.000 1.047 183 V CA 1.860 64.233 62.300 0.121 0.000 1.035 183 V CB -0.756 31.136 31.823 0.114 0.000 0.658 183 V HN 0.320 nan 8.190 nan 0.000 0.452 184 F N 1.665 121.671 119.950 0.093 0.000 2.102 184 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 184 F C 2.234 178.158 175.800 0.206 0.000 1.105 184 F CA 2.042 60.134 58.000 0.153 0.000 1.239 184 F CB -0.242 38.809 39.000 0.086 0.000 0.991 184 F HN 0.192 nan 8.300 nan 0.000 0.474 185 D N 0.043 120.638 120.400 0.325 0.000 2.144 185 D HA -0.176 4.463 4.640 -0.001 0.000 0.199 185 D C 2.294 178.668 176.300 0.123 0.000 0.984 185 D CA 1.112 55.259 54.000 0.245 0.000 0.834 185 D CB -0.452 40.466 40.800 0.197 0.000 0.955 185 D HN 0.274 nan 8.370 nan 0.000 0.465 186 R N 0.122 120.665 120.500 0.073 0.000 2.092 186 R HA 0.039 4.378 4.340 -0.001 0.000 0.231 186 R C 2.257 178.514 176.300 -0.071 0.000 1.119 186 R CA 0.504 56.613 56.100 0.015 0.000 0.970 186 R CB -0.194 30.120 30.300 0.023 0.000 0.864 186 R HN 0.144 nan 8.270 nan 0.000 0.440 187 L N -0.671 120.469 121.223 -0.137 0.000 2.552 187 L HA -0.076 4.263 4.340 -0.001 0.000 0.227 187 L C 1.205 177.685 176.870 -0.651 0.000 1.146 187 L CA 0.697 55.325 54.840 -0.353 0.000 0.858 187 L CB 0.000 41.823 42.059 -0.393 0.000 0.969 187 L HN 0.370 nan 8.230 nan 0.000 0.451 188 H N -3.396 115.481 119.070 -0.321 0.000 3.622 188 H HA 0.324 4.880 4.556 -0.001 0.000 0.259 188 H C 0.094 175.084 175.328 -0.563 0.000 1.145 188 H CA -0.058 55.718 56.048 -0.453 0.000 1.178 188 H CB 1.062 30.450 29.762 -0.623 0.000 1.542 188 H HN 0.234 nan 8.280 nan 0.000 0.586 189 H N 0.000 119.039 119.070 -0.051 0.000 2.539 189 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 189 H CA 0.000 56.028 56.048 -0.033 0.000 1.023 189 H CB 0.000 29.759 29.762 -0.005 0.000 1.292 189 H HN 0.000 nan 8.280 nan 0.000 0.496