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 3ehu_1_A DATA FIRST_RESID -348 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIXXX XXXXXXGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFXXXDQHcE SLSLASNISG LQcNASVDLI DATA SEQUENCE GTcWPRSPAG QLVVRPcPAF FYGVRYNTTN NGYREcLANG SWAARVNYSE DATA SEQUENCE cQE 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 -348 K HA 0.000 nan 4.320 nan 0.000 0.191 -348 K C 0.000 176.568 176.600 -0.053 0.000 0.988 -348 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 -348 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 -347 I N 2.736 123.269 120.570 -0.062 0.000 2.496 -347 I HA 0.074 4.244 4.170 0.000 0.000 0.285 -347 I C 0.569 176.657 176.117 -0.048 0.000 1.080 -347 I CA -0.054 61.206 61.300 -0.066 0.000 1.404 -347 I CB 1.072 39.022 38.000 -0.083 0.000 1.403 -347 I HN 0.551 nan 8.210 nan 0.000 0.539 -346 E N 6.531 126.705 120.200 -0.042 0.000 2.366 -346 E HA 0.006 4.356 4.350 0.000 0.000 0.266 -346 E C -0.206 176.377 176.600 -0.028 0.000 1.015 -346 E CA -0.305 56.077 56.400 -0.030 0.000 0.906 -346 E CB 0.628 30.314 29.700 -0.025 0.000 0.979 -346 E HN 0.512 nan 8.360 nan 0.000 0.443 -345 E N 2.772 122.959 120.200 -0.021 0.000 2.360 -345 E HA 0.204 4.554 4.350 0.000 0.000 0.269 -345 E C 0.336 176.930 176.600 -0.010 0.000 1.022 -345 E CA 0.753 57.144 56.400 -0.016 0.000 0.887 -345 E CB 0.519 30.212 29.700 -0.012 0.000 0.990 -345 E HN 0.832 nan 8.360 nan 0.000 0.426 -344 G N 3.644 112.442 108.800 -0.004 0.000 2.132 -344 G HA2 -0.261 3.699 3.960 0.000 0.000 0.228 -344 G HA3 -0.261 3.699 3.960 0.000 0.000 0.228 -344 G C -0.188 174.716 174.900 0.006 0.000 1.000 -344 G CA 0.631 45.733 45.100 0.004 0.000 0.693 -344 G HN 0.614 nan 8.290 nan 0.000 0.515 -343 K N -1.096 119.303 120.400 -0.001 0.000 2.499 -343 K HA 0.847 5.168 4.320 0.000 0.000 0.277 -343 K C -1.304 175.277 176.600 -0.031 0.000 1.025 -343 K CA -1.332 54.952 56.287 -0.005 0.000 0.900 -343 K CB 1.498 33.991 32.500 -0.013 0.000 1.494 -343 K HN 0.218 nan 8.250 nan 0.000 0.442 -342 L N 1.810 122.995 121.223 -0.064 0.000 2.376 -342 L HA 0.457 4.798 4.340 0.000 0.000 0.275 -342 L C -1.134 175.660 176.870 -0.126 0.000 0.987 -342 L CA -1.225 53.535 54.840 -0.132 0.000 0.828 -342 L CB 2.162 44.061 42.059 -0.266 0.000 1.249 -342 L HN 0.390 nan 8.230 nan 0.000 0.409 -341 V N 4.933 124.781 119.914 -0.110 0.000 2.398 -341 V HA 0.499 4.619 4.120 0.000 0.000 0.286 -341 V C 0.030 176.075 176.094 -0.081 0.000 1.026 -341 V CA -0.342 61.915 62.300 -0.070 0.000 0.868 -341 V CB 1.944 33.725 31.823 -0.070 0.000 0.982 -341 V HN 0.500 nan 8.190 nan 0.000 0.443 -340 I N 3.616 124.206 120.570 0.033 0.000 2.509 -340 I HA 0.468 4.638 4.170 0.000 0.000 0.293 -340 I C -1.168 175.183 176.117 0.390 0.000 1.020 -340 I CA -0.459 60.924 61.300 0.139 0.000 1.088 -340 I CB 2.187 40.266 38.000 0.132 0.000 1.267 -340 I HN 0.500 nan 8.210 nan 0.000 0.430 -339 W N 7.008 128.376 121.300 0.112 0.000 2.529 -339 W HA 0.713 5.373 4.660 0.000 0.000 0.321 -339 W C -0.474 176.161 176.519 0.193 0.000 1.047 -339 W CA -1.057 56.344 57.345 0.093 0.000 1.216 -339 W CB 1.443 30.936 29.460 0.055 0.000 1.357 -339 W HN 0.226 nan 8.180 nan 0.000 0.489 -338 I N 2.899 123.648 120.570 0.299 0.000 2.913 -338 I HA 0.343 4.513 4.170 0.000 0.000 0.302 -338 I C -0.401 175.789 176.117 0.122 0.000 1.246 -338 I CA -0.764 60.654 61.300 0.197 0.000 1.010 -338 I CB 1.719 39.670 38.000 -0.080 0.000 1.259 -338 I HN 0.231 nan 8.210 nan 0.000 0.434 -337 N N 3.330 122.086 118.700 0.093 0.000 2.492 -337 N HA 0.218 4.959 4.740 0.000 0.000 0.260 -337 N C 1.022 176.492 175.510 -0.067 0.000 1.215 -337 N CA 1.104 54.169 53.050 0.025 0.000 0.923 -337 N CB 1.516 39.961 38.487 -0.070 0.000 1.092 -337 N HN 0.764 nan 8.380 nan 0.000 0.448 -336 G N 1.061 109.801 108.800 -0.100 0.000 2.559 -336 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 -336 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 -336 G C 0.681 175.548 174.900 -0.054 0.000 1.126 -336 G CA 0.723 45.698 45.100 -0.208 0.000 0.778 -336 G HN 0.803 nan 8.290 nan 0.000 0.543 -335 D N -0.281 120.045 120.400 -0.123 0.000 2.349 -335 D HA 0.049 4.689 4.640 0.000 0.000 0.224 -335 D C 0.933 177.158 176.300 -0.125 0.000 1.029 -335 D CA 0.282 54.209 54.000 -0.120 0.000 0.879 -335 D CB 0.217 40.872 40.800 -0.242 0.000 0.906 -335 D HN 0.033 nan 8.370 nan 0.000 0.528 -334 K N 0.091 120.424 120.400 -0.111 0.000 2.210 -334 K HA 0.521 4.841 4.320 0.000 0.000 0.236 -334 K C 0.895 177.479 176.600 -0.027 0.000 1.016 -334 K CA -0.734 55.497 56.287 -0.092 0.000 0.913 -334 K CB 0.769 33.170 32.500 -0.165 0.000 1.141 -334 K HN 0.016 nan 8.250 nan 0.000 0.462 -333 G N 1.709 110.470 108.800 -0.066 0.000 3.316 -333 G HA2 0.054 4.014 3.960 0.000 0.000 0.255 -333 G HA3 0.054 4.014 3.960 0.000 0.000 0.255 -333 G C 0.773 175.592 174.900 -0.135 0.000 0.880 -333 G CA -0.117 44.910 45.100 -0.121 0.000 1.956 -333 G HN 0.609 nan 8.290 nan 0.000 0.634 -332 Y N -0.750 119.489 120.300 -0.101 0.000 2.352 -332 Y HA -0.063 4.487 4.550 0.000 0.000 0.292 -332 Y C 2.030 177.915 175.900 -0.024 0.000 1.136 -332 Y CA 0.751 58.804 58.100 -0.079 0.000 1.227 -332 Y CB -0.361 38.067 38.460 -0.054 0.000 0.991 -332 Y HN 0.251 nan 8.280 nan 0.000 0.545 -331 N N 1.092 119.543 118.700 -0.415 0.000 2.216 -331 N HA -0.084 4.656 4.740 0.000 0.000 0.183 -331 N C 2.103 177.574 175.510 -0.066 0.000 1.017 -331 N CA 1.369 54.305 53.050 -0.190 0.000 0.861 -331 N CB -0.681 37.633 38.487 -0.288 0.000 0.986 -331 N HN 0.611 nan 8.380 nan 0.000 0.428 -330 G N 1.736 110.483 108.800 -0.089 0.000 2.418 -330 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 -330 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 -330 G C 1.603 176.511 174.900 0.013 0.000 1.158 -330 G CA 0.319 45.401 45.100 -0.030 0.000 0.771 -330 G HN 0.196 nan 8.290 nan 0.000 0.545 -329 L N 1.478 122.707 121.223 0.010 0.000 2.046 -329 L HA 0.130 4.471 4.340 0.000 0.000 0.208 -329 L C 3.039 179.988 176.870 0.132 0.000 1.077 -329 L CA 2.084 56.962 54.840 0.064 0.000 0.747 -329 L CB -0.734 41.318 42.059 -0.011 0.000 0.896 -329 L HN 0.235 nan 8.230 nan 0.000 0.432 -328 A N -0.918 121.967 122.820 0.109 0.000 1.972 -328 A HA -0.226 4.094 4.320 0.000 0.000 0.219 -328 A C 2.138 179.790 177.584 0.114 0.000 1.169 -328 A CA 1.815 53.921 52.037 0.114 0.000 0.635 -328 A CB -0.569 18.505 19.000 0.123 0.000 0.810 -328 A HN 0.638 nan 8.150 nan 0.000 0.446 -327 E N -0.380 119.879 120.200 0.098 0.000 2.107 -327 E HA -0.089 4.261 4.350 0.000 0.000 0.191 -327 E C 1.936 178.625 176.600 0.148 0.000 0.982 -327 E CA 1.117 57.577 56.400 0.100 0.000 0.809 -327 E CB -0.223 29.517 29.700 0.067 0.000 0.756 -327 E HN 0.440 nan 8.360 nan 0.000 0.459 -326 V N 0.991 121.012 119.914 0.179 0.000 2.295 -326 V HA -0.196 3.924 4.120 0.000 0.000 0.246 -326 V C 2.411 178.756 176.094 0.418 0.000 1.049 -326 V CA 1.951 64.411 62.300 0.267 0.000 1.024 -326 V CB -1.162 30.786 31.823 0.208 0.000 0.648 -326 V HN 0.400 nan 8.190 nan 0.000 0.447 -325 G N 0.200 109.228 108.800 0.380 0.000 2.476 -325 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 -325 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 -325 G C 1.642 176.661 174.900 0.199 0.000 1.164 -325 G CA 1.189 46.425 45.100 0.228 0.000 0.768 -325 G HN 0.510 nan 8.290 nan 0.000 0.560 -324 K N 0.199 120.694 120.400 0.158 0.000 2.103 -324 K HA -0.064 4.257 4.320 0.000 0.000 0.207 -324 K C 2.431 179.114 176.600 0.139 0.000 1.048 -324 K CA 1.286 57.646 56.287 0.122 0.000 0.930 -324 K CB -0.128 32.429 32.500 0.095 0.000 0.716 -324 K HN 0.288 nan 8.250 nan 0.000 0.444 -323 K N 0.470 120.987 120.400 0.195 0.000 2.057 -323 K HA -0.154 4.167 4.320 0.000 0.000 0.206 -323 K C 2.013 178.746 176.600 0.221 0.000 1.050 -323 K CA 1.144 57.567 56.287 0.226 0.000 0.935 -323 K CB -0.158 32.522 32.500 0.299 0.000 0.715 -323 K HN 0.005 nan 8.250 nan 0.000 0.439 -322 F N 2.450 122.405 119.950 0.008 0.000 2.095 -322 F HA -0.234 4.293 4.527 0.000 0.000 0.298 -322 F C 2.328 178.046 175.800 -0.135 0.000 1.104 -322 F CA 2.073 59.890 58.000 -0.305 0.000 1.232 -322 F CB -0.284 38.571 39.000 -0.240 0.000 0.987 -322 F HN 0.207 nan 8.300 nan 0.000 0.475 -321 E N 0.215 120.443 120.200 0.048 0.000 2.049 -321 E HA -0.309 4.041 4.350 0.000 0.000 0.198 -321 E C 2.253 178.810 176.600 -0.072 0.000 1.007 -321 E CA 1.759 58.142 56.400 -0.029 0.000 0.809 -321 E CB -0.181 29.539 29.700 0.033 0.000 0.749 -321 E HN 0.388 nan 8.360 nan 0.000 0.450 -320 K N 0.027 120.417 120.400 -0.017 0.000 2.152 -320 K HA -0.150 4.171 4.320 0.000 0.000 0.206 -320 K C 1.651 178.228 176.600 -0.039 0.000 1.048 -320 K CA 1.674 57.955 56.287 -0.010 0.000 0.933 -320 K CB 0.091 32.610 32.500 0.031 0.000 0.721 -320 K HN 0.146 nan 8.250 nan 0.000 0.447 -319 D N -1.308 119.051 120.400 -0.068 0.000 2.289 -319 D HA -0.064 4.576 4.640 0.000 0.000 0.207 -319 D C 1.679 177.873 176.300 -0.177 0.000 0.966 -319 D CA 1.326 55.283 54.000 -0.072 0.000 0.868 -319 D CB 0.368 41.184 40.800 0.027 0.000 0.943 -319 D HN 0.367 nan 8.370 nan 0.000 0.514 -318 T N -4.688 109.679 114.554 -0.312 0.000 2.964 -318 T HA 0.334 4.684 4.350 0.000 0.000 0.250 -318 T C 1.659 176.234 174.700 -0.208 0.000 0.982 -318 T CA 0.705 62.598 62.100 -0.346 0.000 0.959 -318 T CB 0.807 69.256 68.868 -0.697 0.000 1.141 -318 T HN 0.095 nan 8.240 nan 0.000 0.494 -317 G N 1.836 110.539 108.800 -0.163 0.000 2.143 -317 G HA2 -0.154 3.807 3.960 0.000 0.000 0.248 -317 G HA3 -0.154 3.807 3.960 0.000 0.000 0.248 -317 G C -0.149 174.707 174.900 -0.073 0.000 0.991 -317 G CA 0.103 45.149 45.100 -0.089 0.000 0.689 -317 G HN 0.561 nan 8.290 nan 0.000 0.522 -316 I N 0.649 121.160 120.570 -0.098 0.000 2.312 -316 I HA 0.374 4.544 4.170 0.000 0.000 0.290 -316 I C 0.622 176.756 176.117 0.028 0.000 1.008 -316 I CA -1.856 59.434 61.300 -0.018 0.000 1.226 -316 I CB 1.315 39.344 38.000 0.048 0.000 1.371 -316 I HN 0.128 nan 8.210 nan 0.000 0.468 -315 K N 5.608 126.018 120.400 0.017 0.000 2.416 -315 K HA 0.298 4.619 4.320 0.000 0.000 0.283 -315 K C -0.909 175.695 176.600 0.007 0.000 1.037 -315 K CA 0.050 56.346 56.287 0.016 0.000 0.995 -315 K CB 0.496 32.998 32.500 0.004 0.000 0.938 -315 K HN 0.381 nan 8.250 nan 0.000 0.475 -314 V N 4.419 124.330 119.914 -0.005 0.000 2.417 -314 V HA 0.372 4.493 4.120 0.000 0.000 0.291 -314 V C -0.411 175.654 176.094 -0.048 0.000 1.024 -314 V CA -0.769 61.480 62.300 -0.086 0.000 0.861 -314 V CB 1.794 33.508 31.823 -0.183 0.000 0.985 -314 V HN 0.859 nan 8.190 nan 0.000 0.436 -313 T N 4.229 118.755 114.554 -0.046 0.000 2.792 -313 T HA 0.545 4.895 4.350 0.000 0.000 0.280 -313 T C -0.389 174.324 174.700 0.021 0.000 0.990 -313 T CA -0.391 61.710 62.100 0.001 0.000 0.960 -313 T CB 1.629 70.506 68.868 0.015 0.000 0.939 -313 T HN 0.339 nan 8.240 nan 0.000 0.439 -312 V N 4.169 124.112 119.914 0.048 0.000 2.394 -312 V HA 0.455 4.575 4.120 0.000 0.000 0.282 -312 V C 0.105 176.230 176.094 0.052 0.000 1.031 -312 V CA -0.637 61.715 62.300 0.087 0.000 0.881 -312 V CB 1.334 33.228 31.823 0.119 0.000 0.982 -312 V HN 0.845 nan 8.190 nan 0.000 0.451 -311 E N 2.913 123.144 120.200 0.052 0.000 2.336 -311 E HA 0.634 4.984 4.350 0.000 0.000 0.267 -311 E C -1.306 175.106 176.600 -0.314 0.000 0.906 -311 E CA -0.817 55.454 56.400 -0.216 0.000 0.781 -311 E CB 2.283 31.911 29.700 -0.120 0.000 1.261 -311 E HN 0.995 nan 8.360 nan 0.000 0.436 -310 H N -1.522 117.313 119.070 -0.392 0.000 2.514 -310 H HA 0.301 4.857 4.556 0.000 0.000 0.226 -310 H C -2.770 172.319 175.328 -0.399 0.000 1.421 -310 H CA -2.125 53.685 56.048 -0.397 0.000 1.394 -310 H CB -0.552 28.901 29.762 -0.516 0.000 1.701 -310 H HN 0.163 nan 8.280 nan 0.000 0.515 -309 P HA 0.060 nan 4.420 nan 0.000 0.271 -309 P C 0.117 177.268 177.300 -0.248 0.000 1.218 -309 P CA -0.075 62.755 63.100 -0.451 0.000 0.780 -309 P CB 1.219 32.487 31.700 -0.721 0.000 0.901 -308 D N 1.732 122.028 120.400 -0.174 0.000 2.423 -308 D HA 0.004 4.645 4.640 0.000 0.000 0.238 -308 D C 0.323 176.552 176.300 -0.118 0.000 1.142 -308 D CA 0.315 54.248 54.000 -0.113 0.000 0.884 -308 D CB 0.217 40.962 40.800 -0.091 0.000 1.199 -308 D HN 0.306 nan 8.370 nan 0.000 0.438 -307 K N 1.069 121.419 120.400 -0.083 0.000 3.069 -307 K HA -0.226 4.094 4.320 0.000 0.000 0.267 -307 K C 1.162 177.672 176.600 -0.150 0.000 1.082 -307 K CA 0.588 56.812 56.287 -0.106 0.000 0.782 -307 K CB -1.601 30.849 32.500 -0.084 0.000 1.230 -307 K HN 0.433 nan 8.250 nan 0.000 0.488 -306 L N 0.284 121.427 121.223 -0.134 0.000 2.127 -306 L HA -0.183 4.157 4.340 0.000 0.000 0.211 -306 L C 2.319 179.110 176.870 -0.131 0.000 1.089 -306 L CA 2.277 57.061 54.840 -0.094 0.000 0.757 -306 L CB -0.544 41.532 42.059 0.029 0.000 0.899 -306 L HN 0.356 nan 8.230 nan 0.000 0.434 -305 E N 0.899 120.806 120.200 -0.487 0.000 2.204 -305 E HA -0.251 4.100 4.350 0.000 0.000 0.194 -305 E C 1.633 178.106 176.600 -0.211 0.000 0.989 -305 E CA 1.800 57.820 56.400 -0.633 0.000 0.824 -305 E CB -0.420 28.308 29.700 -1.618 0.000 0.756 -305 E HN 0.833 nan 8.360 nan 0.000 0.477 -304 E N 0.410 120.505 120.200 -0.174 0.000 2.140 -304 E HA -0.003 4.347 4.350 0.000 0.000 0.191 -304 E C 2.062 178.642 176.600 -0.033 0.000 0.973 -304 E CA 0.231 56.587 56.400 -0.075 0.000 0.829 -304 E CB 0.141 29.793 29.700 -0.079 0.000 0.781 -304 E HN 0.112 nan 8.360 nan 0.000 0.466 -303 K N 0.843 121.231 120.400 -0.019 0.000 2.097 -303 K HA -0.125 4.195 4.320 0.000 0.000 0.205 -303 K C 1.969 178.642 176.600 0.121 0.000 1.050 -303 K CA 0.732 57.040 56.287 0.036 0.000 0.938 -303 K CB -0.520 31.988 32.500 0.013 0.000 0.718 -303 K HN 0.104 nan 8.250 nan 0.000 0.442 -302 F N 3.722 123.683 119.950 0.019 0.000 2.043 -302 F HA -0.172 4.355 4.527 0.000 0.000 0.297 -302 F C -0.944 174.712 175.800 -0.240 0.000 1.121 -302 F CA 1.426 59.366 58.000 -0.100 0.000 1.199 -302 F CB -1.277 37.522 39.000 -0.334 0.000 0.968 -302 F HN 0.018 nan 8.300 nan 0.000 0.478 -301 P HA -0.180 nan 4.420 nan 0.000 0.218 -301 P C 1.326 178.431 177.300 -0.326 0.000 1.149 -301 P CA 1.770 64.590 63.100 -0.466 0.000 0.817 -301 P CB -0.262 31.363 31.700 -0.126 0.000 0.785 -300 Q N -0.029 119.652 119.800 -0.199 0.000 2.020 -300 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 -300 Q C 2.291 178.192 176.000 -0.165 0.000 0.982 -300 Q CA 2.214 57.932 55.803 -0.140 0.000 0.838 -300 Q CB -0.775 27.918 28.738 -0.077 0.000 0.899 -300 Q HN 0.235 nan 8.270 nan 0.000 0.423 -299 V N -2.428 117.383 119.914 -0.171 0.000 2.488 -299 V HA -0.003 4.118 4.120 0.000 0.000 0.246 -299 V C 2.071 177.994 176.094 -0.286 0.000 1.046 -299 V CA 1.491 63.695 62.300 -0.160 0.000 1.053 -299 V CB -0.996 30.808 31.823 -0.031 0.000 0.679 -299 V HN 0.273 nan 8.190 nan 0.000 0.458 -298 A N 0.806 123.318 122.820 -0.513 0.000 1.968 -298 A HA 0.245 4.565 4.320 0.000 0.000 0.217 -298 A C 2.388 179.746 177.584 -0.378 0.000 1.169 -298 A CA 1.688 53.372 52.037 -0.589 0.000 0.638 -298 A CB -0.947 17.342 19.000 -1.185 0.000 0.812 -298 A HN 0.979 nan 8.150 nan 0.000 0.446 -297 A N -0.173 122.450 122.820 -0.327 0.000 2.178 -297 A HA -0.000 4.320 4.320 0.000 0.000 0.218 -297 A C 2.066 179.558 177.584 -0.155 0.000 1.157 -297 A CA 1.974 53.885 52.037 -0.210 0.000 0.689 -297 A CB -0.951 17.944 19.000 -0.175 0.000 0.787 -297 A HN 0.740 nan 8.150 nan 0.000 0.465 -296 T N -5.429 109.030 114.554 -0.159 0.000 3.069 -296 T HA 0.423 4.773 4.350 0.000 0.000 0.252 -296 T C 1.287 175.919 174.700 -0.112 0.000 1.053 -296 T CA 1.010 63.040 62.100 -0.116 0.000 0.964 -296 T CB 0.227 69.036 68.868 -0.098 0.000 1.005 -296 T HN 1.584 nan 8.240 nan 0.000 0.532 -295 G N 0.816 109.533 108.800 -0.139 0.000 2.141 -295 G HA2 -0.194 3.766 3.960 0.000 0.000 0.242 -295 G HA3 -0.194 3.766 3.960 0.000 0.000 0.242 -295 G C -0.235 174.590 174.900 -0.126 0.000 0.982 -295 G CA 0.127 45.155 45.100 -0.121 0.000 0.662 -295 G HN 0.685 nan 8.290 nan 0.000 0.527 -294 D N -0.501 119.809 120.400 -0.151 0.000 2.588 -294 D HA 0.722 5.362 4.640 0.000 0.000 0.268 -294 D C 0.996 177.162 176.300 -0.223 0.000 1.176 -294 D CA 1.320 55.232 54.000 -0.146 0.000 1.080 -294 D CB 1.167 41.904 40.800 -0.106 0.000 1.186 -294 D HN 1.427 nan 8.370 nan 0.000 0.619 -293 G N -0.315 108.336 108.800 -0.248 0.000 2.526 -293 G HA2 -0.029 3.931 3.960 0.000 0.000 0.250 -293 G HA3 -0.029 3.931 3.960 0.000 0.000 0.250 -293 G C -2.694 171.858 174.900 -0.579 0.000 1.289 -293 G CA -0.406 44.400 45.100 -0.490 0.000 0.947 -293 G HN 0.538 nan 8.290 nan 0.000 0.517 -292 P HA 0.340 nan 4.420 nan 0.000 0.278 -292 P C 0.045 177.147 177.300 -0.329 0.000 1.258 -292 P CA -0.219 62.447 63.100 -0.723 0.000 0.811 -292 P CB 1.023 32.066 31.700 -1.096 0.000 1.063 -291 D N 0.259 120.524 120.400 -0.225 0.000 2.117 -291 D HA -0.005 4.635 4.640 0.000 0.000 0.198 -291 D C 0.672 176.904 176.300 -0.113 0.000 0.982 -291 D CA 1.517 55.436 54.000 -0.134 0.000 0.828 -291 D CB 0.259 40.991 40.800 -0.114 0.000 0.967 -291 D HN 0.361 nan 8.370 nan 0.000 0.464 -290 I N 0.945 121.440 120.570 -0.125 0.000 2.545 -290 I HA 0.314 4.484 4.170 0.000 0.000 0.292 -290 I C -0.593 175.466 176.117 -0.097 0.000 1.040 -290 I CA -0.640 60.604 61.300 -0.092 0.000 1.068 -290 I CB 3.267 41.257 38.000 -0.017 0.000 1.251 -290 I HN -0.169 nan 8.210 nan 0.000 0.424 -289 I N 5.561 126.015 120.570 -0.194 0.000 2.465 -289 I HA 0.464 4.634 4.170 0.000 0.000 0.291 -289 I C -1.572 174.576 176.117 0.051 0.000 1.014 -289 I CA -0.535 60.668 61.300 -0.162 0.000 1.093 -289 I CB 1.701 39.188 38.000 -0.855 0.000 1.267 -289 I HN 0.398 nan 8.210 nan 0.000 0.431 -288 F N 7.849 127.922 119.950 0.204 0.000 2.411 -288 F HA 0.475 5.002 4.527 0.000 0.000 0.352 -288 F C -0.359 175.693 175.800 0.420 0.000 1.123 -288 F CA -0.151 58.017 58.000 0.280 0.000 1.044 -288 F CB 1.164 40.264 39.000 0.167 0.000 1.135 -288 F HN 0.429 nan 8.300 nan 0.000 0.461 -287 W N 2.401 123.971 121.300 0.450 0.000 3.025 -287 W HA 0.673 5.334 4.660 0.000 0.000 0.343 -287 W C -1.238 175.467 176.519 0.310 0.000 1.246 -287 W CA -1.318 56.227 57.345 0.333 0.000 1.178 -287 W CB 1.726 31.362 29.460 0.292 0.000 1.463 -287 W HN 0.576 nan 8.180 nan 0.000 0.578 -286 A N 2.459 125.050 122.820 -0.381 0.000 2.520 -286 A HA -0.016 4.304 4.320 0.000 0.000 0.235 -286 A C 1.379 179.155 177.584 0.319 0.000 1.065 -286 A CA 0.859 52.864 52.037 -0.054 0.000 0.764 -286 A CB -0.134 18.712 19.000 -0.257 0.000 1.002 -286 A HN 0.764 nan 8.150 nan 0.000 0.502 -285 H N 1.651 120.788 119.070 0.110 0.000 2.518 -285 H HA -0.151 4.405 4.556 0.000 0.000 0.289 -285 H C 1.011 176.484 175.328 0.242 0.000 1.051 -285 H CA 1.414 57.516 56.048 0.091 0.000 1.280 -285 H CB -0.412 29.325 29.762 -0.041 0.000 1.380 -285 H HN 0.830 nan 8.280 nan 0.000 0.566 -284 D N 1.285 121.457 120.400 -0.380 0.000 2.263 -284 D HA -0.168 4.472 4.640 0.000 0.000 0.208 -284 D C 1.758 178.021 176.300 -0.060 0.000 0.971 -284 D CA 0.407 54.250 54.000 -0.261 0.000 0.867 -284 D CB -0.268 40.430 40.800 -0.170 0.000 0.929 -284 D HN 0.263 nan 8.370 nan 0.000 0.492 -283 R N -0.682 119.820 120.500 0.004 0.000 2.240 -283 R HA 0.071 4.411 4.340 0.000 0.000 0.203 -283 R C 1.798 177.639 176.300 -0.766 0.000 1.011 -283 R CA 0.048 55.903 56.100 -0.409 0.000 1.007 -283 R CB -0.487 29.454 30.300 -0.598 0.000 0.911 -283 R HN 0.263 nan 8.270 nan 0.000 0.468 -282 F N 0.084 119.802 119.950 -0.385 0.000 2.367 -282 F HA 0.065 4.592 4.527 0.000 0.000 0.298 -282 F C 2.437 178.067 175.800 -0.284 0.000 1.094 -282 F CA 1.083 58.946 58.000 -0.228 0.000 1.409 -282 F CB -0.581 38.429 39.000 0.017 0.000 1.064 -282 F HN 0.091 nan 8.300 nan 0.000 0.528 -281 G N -0.189 108.468 108.800 -0.238 0.000 2.418 -281 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 -281 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 -281 G C 2.066 176.589 174.900 -0.629 0.000 1.158 -281 G CA 0.871 45.552 45.100 -0.699 0.000 0.771 -281 G HN 0.483 nan 8.290 nan 0.000 0.545 -280 G N -0.036 108.530 108.800 -0.390 0.000 2.421 -280 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 -280 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 -280 G C 1.627 176.463 174.900 -0.106 0.000 1.171 -280 G CA 1.020 45.971 45.100 -0.249 0.000 0.775 -280 G HN 0.365 nan 8.290 nan 0.000 0.543 -279 Y N 1.387 121.594 120.300 -0.154 0.000 2.165 -279 Y HA -0.023 4.527 4.550 0.000 0.000 0.286 -279 Y C 3.123 178.982 175.900 -0.067 0.000 1.155 -279 Y CA 0.249 58.294 58.100 -0.092 0.000 1.164 -279 Y CB -1.160 37.240 38.460 -0.100 0.000 0.978 -279 Y HN 0.276 nan 8.280 nan 0.000 0.513 -278 A N -0.359 122.488 122.820 0.044 0.000 1.930 -278 A HA -0.224 4.096 4.320 0.000 0.000 0.217 -278 A C 2.263 179.882 177.584 0.058 0.000 1.175 -278 A CA 1.569 53.633 52.037 0.045 0.000 0.627 -278 A CB -0.783 18.215 19.000 -0.003 0.000 0.815 -278 A HN 0.516 nan 8.150 nan 0.000 0.443 -277 Q N -0.147 119.644 119.800 -0.016 0.000 2.224 -277 Q HA -0.088 4.252 4.340 0.000 0.000 0.203 -277 Q C 1.460 177.489 176.000 0.049 0.000 0.970 -277 Q CA 1.430 57.282 55.803 0.082 0.000 0.865 -277 Q CB -0.064 28.716 28.738 0.070 0.000 0.922 -277 Q HN 0.580 nan 8.270 nan 0.000 0.445 -276 S N -0.743 114.971 115.700 0.024 0.000 2.603 -276 S HA 0.124 4.594 4.470 0.000 0.000 0.220 -276 S C 0.945 175.545 174.600 -0.000 0.000 0.967 -276 S CA 0.553 58.755 58.200 0.004 0.000 0.920 -276 S CB 0.379 63.573 63.200 -0.009 0.000 0.773 -276 S HN 0.684 nan 8.310 nan 0.000 0.529 -275 G N 1.379 110.196 108.800 0.028 0.000 2.176 -275 G HA2 -0.247 3.713 3.960 0.000 0.000 0.252 -275 G HA3 -0.247 3.713 3.960 0.000 0.000 0.252 -275 G C 0.499 175.405 174.900 0.009 0.000 1.024 -275 G CA 0.383 45.498 45.100 0.025 0.000 0.755 -275 G HN 0.530 nan 8.290 nan 0.000 0.507 -274 L N -1.165 120.069 121.223 0.019 0.000 2.446 -274 L HA 0.380 4.721 4.340 0.000 0.000 0.219 -274 L C 1.301 178.221 176.870 0.083 0.000 1.116 -274 L CA 0.392 55.224 54.840 -0.013 0.000 0.844 -274 L CB 0.026 42.020 42.059 -0.107 0.000 0.970 -274 L HN 0.221 nan 8.230 nan 0.000 0.457 -273 L N -0.011 121.281 121.223 0.116 0.000 2.329 -273 L HA 0.588 4.928 4.340 0.000 0.000 0.279 -273 L C 0.208 177.139 176.870 0.103 0.000 1.014 -273 L CA -0.656 54.268 54.840 0.140 0.000 0.814 -273 L CB 1.799 43.978 42.059 0.200 0.000 1.257 -273 L HN -0.106 nan 8.230 nan 0.000 0.424 -272 A N 2.141 125.013 122.820 0.087 0.000 2.371 -272 A HA 0.204 4.524 4.320 0.000 0.000 0.257 -272 A C 0.040 177.665 177.584 0.068 0.000 1.089 -272 A CA -0.261 51.815 52.037 0.065 0.000 0.794 -272 A CB 0.363 19.394 19.000 0.052 0.000 1.029 -272 A HN 0.796 nan 8.150 nan 0.000 0.488 -271 E N 1.384 121.615 120.200 0.051 0.000 2.344 -271 E HA 0.322 4.672 4.350 0.000 0.000 0.270 -271 E C -0.130 176.474 176.600 0.007 0.000 1.021 -271 E CA -0.311 56.110 56.400 0.035 0.000 0.887 -271 E CB 0.270 29.986 29.700 0.027 0.000 0.997 -271 E HN 0.547 nan 8.360 nan 0.000 0.429 -270 I N 1.263 121.811 120.570 -0.037 0.000 2.713 -270 I HA 0.347 4.517 4.170 0.000 0.000 0.300 -270 I C 0.417 176.480 176.117 -0.090 0.000 1.009 -270 I CA -0.575 60.672 61.300 -0.089 0.000 1.305 -270 I CB 1.715 39.531 38.000 -0.306 0.000 1.430 -270 I HN 0.455 nan 8.210 nan 0.000 0.546 -269 T N -0.067 114.455 114.554 -0.053 0.000 3.533 -269 T HA 0.433 4.784 4.350 0.000 0.000 0.275 -269 T C -2.307 172.370 174.700 -0.037 0.000 1.000 -269 T CA -1.103 60.971 62.100 -0.044 0.000 1.015 -269 T CB -0.574 68.287 68.868 -0.011 0.000 1.153 -269 T HN 0.573 nan 8.240 nan 0.000 0.504 -268 P HA 0.260 nan 4.420 nan 0.000 0.271 -268 P C -0.205 177.091 177.300 -0.007 0.000 1.216 -268 P CA -0.069 63.032 63.100 0.001 0.000 0.776 -268 P CB 0.819 32.602 31.700 0.138 0.000 0.881 -267 D N 1.690 122.119 120.400 0.048 0.000 2.363 -267 D HA 0.011 4.651 4.640 0.000 0.000 0.240 -267 D C 1.021 177.341 176.300 0.034 0.000 1.236 -267 D CA -0.222 53.797 54.000 0.033 0.000 0.927 -267 D CB 0.704 41.533 40.800 0.047 0.000 1.150 -267 D HN 0.238 nan 8.370 nan 0.000 0.458 -266 K N -0.055 120.341 120.400 -0.005 0.000 2.097 -266 K HA -0.138 4.182 4.320 0.000 0.000 0.206 -266 K C 1.983 178.589 176.600 0.010 0.000 1.049 -266 K CA 1.390 57.659 56.287 -0.030 0.000 0.933 -266 K CB -0.292 32.188 32.500 -0.034 0.000 0.717 -266 K HN 0.546 nan 8.250 nan 0.000 0.442 -265 A N 1.051 123.899 122.820 0.047 0.000 1.877 -265 A HA -0.200 4.121 4.320 0.000 0.000 0.216 -265 A C 1.990 179.632 177.584 0.096 0.000 1.186 -265 A CA 1.307 53.379 52.037 0.059 0.000 0.620 -265 A CB -0.746 18.293 19.000 0.065 0.000 0.822 -265 A HN 0.365 nan 8.150 nan 0.000 0.443 -264 F N 0.652 120.627 119.950 0.043 0.000 2.134 -264 F HA -0.213 4.314 4.527 0.000 0.000 0.299 -264 F C 2.559 178.467 175.800 0.181 0.000 1.097 -264 F CA 2.212 60.276 58.000 0.106 0.000 1.264 -264 F CB -0.312 38.773 39.000 0.141 0.000 1.001 -264 F HN 0.309 nan 8.300 nan 0.000 0.479 -263 Q N -0.462 119.460 119.800 0.204 0.000 2.135 -263 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 -263 Q C 1.740 177.839 176.000 0.165 0.000 0.981 -263 Q CA 1.901 57.749 55.803 0.076 0.000 0.856 -263 Q CB -0.469 28.042 28.738 -0.379 0.000 0.902 -263 Q HN 0.461 nan 8.270 nan 0.000 0.425 -262 D N 0.463 120.880 120.400 0.029 0.000 2.264 -262 D HA -0.114 4.526 4.640 0.000 0.000 0.208 -262 D C 1.151 177.416 176.300 -0.058 0.000 0.966 -262 D CA 0.911 54.913 54.000 0.003 0.000 0.864 -262 D CB 0.173 40.964 40.800 -0.015 0.000 0.933 -262 D HN 0.076 nan 8.370 nan 0.000 0.499 -261 K N -0.736 119.583 120.400 -0.136 0.000 2.459 -261 K HA 0.102 4.422 4.320 0.000 0.000 0.193 -261 K C 0.244 176.669 176.600 -0.292 0.000 1.030 -261 K CA 0.282 56.424 56.287 -0.241 0.000 1.026 -261 K CB 0.568 32.857 32.500 -0.351 0.000 0.809 -261 K HN 0.243 nan 8.250 nan 0.000 0.504 -260 L N 0.515 121.624 121.223 -0.190 0.000 2.330 -260 L HA 0.344 4.684 4.340 0.000 0.000 0.271 -260 L C -0.254 176.468 176.870 -0.247 0.000 1.013 -260 L CA -1.346 53.312 54.840 -0.303 0.000 0.816 -260 L CB 0.698 42.481 42.059 -0.459 0.000 1.287 -260 L HN -0.067 nan 8.230 nan 0.000 0.435 -259 Y N 1.566 121.743 120.300 -0.206 0.000 2.620 -259 Y HA 0.004 4.555 4.550 0.000 0.000 0.330 -259 Y C -1.350 174.485 175.900 -0.108 0.000 1.186 -259 Y CA -0.985 57.033 58.100 -0.136 0.000 1.467 -259 Y CB -0.095 38.240 38.460 -0.209 0.000 1.262 -259 Y HN 0.445 nan 8.280 nan 0.000 0.550 -258 P HA -0.304 nan 4.420 nan 0.000 0.217 -258 P C 1.516 178.948 177.300 0.219 0.000 1.162 -258 P CA 2.100 65.368 63.100 0.279 0.000 0.901 -258 P CB -0.185 31.667 31.700 0.253 0.000 0.793 -257 F N -0.365 119.674 119.950 0.148 0.000 2.333 -257 F HA -0.140 4.387 4.527 0.000 0.000 0.300 -257 F C 1.879 177.694 175.800 0.025 0.000 1.083 -257 F CA 1.616 59.662 58.000 0.076 0.000 1.395 -257 F CB -2.146 36.873 39.000 0.031 0.000 1.056 -257 F HN -0.064 nan 8.300 nan 0.000 0.529 -256 T N -3.079 111.014 114.554 -0.769 0.000 2.857 -256 T HA -0.184 4.166 4.350 0.000 0.000 0.266 -256 T C 1.637 176.116 174.700 -0.368 0.000 1.048 -256 T CA 1.114 62.801 62.100 -0.687 0.000 1.139 -256 T CB -1.263 67.124 68.868 -0.802 0.000 0.874 -256 T HN 0.583 nan 8.240 nan 0.000 0.455 -255 W N 1.989 123.198 121.300 -0.152 0.000 2.363 -255 W HA 0.019 4.679 4.660 0.000 0.000 0.296 -255 W C 2.070 178.568 176.519 -0.035 0.000 1.212 -255 W CA 0.418 57.718 57.345 -0.076 0.000 1.260 -255 W CB -0.240 29.194 29.460 -0.043 0.000 1.131 -255 W HN 0.241 nan 8.180 nan 0.000 0.530 -254 D N 0.004 120.535 120.400 0.218 0.000 2.182 -254 D HA -0.169 4.471 4.640 0.000 0.000 0.201 -254 D C 2.169 178.551 176.300 0.136 0.000 0.986 -254 D CA 1.737 55.845 54.000 0.179 0.000 0.847 -254 D CB -0.691 40.220 40.800 0.185 0.000 0.942 -254 D HN 0.105 nan 8.370 nan 0.000 0.467 -253 A N 0.126 122.965 122.820 0.032 0.000 2.066 -253 A HA -0.025 4.295 4.320 0.000 0.000 0.218 -253 A C 1.884 179.481 177.584 0.022 0.000 1.157 -253 A CA 1.180 53.166 52.037 -0.085 0.000 0.670 -253 A CB -0.128 18.577 19.000 -0.492 0.000 0.804 -253 A HN 0.238 nan 8.150 nan 0.000 0.453 -252 V N -3.332 116.608 119.914 0.044 0.000 3.214 -252 V HA 0.404 4.524 4.120 0.000 0.000 0.330 -252 V C 0.369 176.561 176.094 0.163 0.000 1.403 -252 V CA -0.376 61.966 62.300 0.071 0.000 1.143 -252 V CB -0.724 31.078 31.823 -0.034 0.000 1.098 -252 V HN 0.366 nan 8.190 nan 0.000 0.463 -251 R N 0.969 121.585 120.500 0.193 0.000 2.255 -251 R HA 0.515 4.855 4.340 0.000 0.000 0.326 -251 R C -1.744 174.709 176.300 0.255 0.000 0.986 -251 R CA -0.700 55.516 56.100 0.193 0.000 0.847 -251 R CB 1.224 31.616 30.300 0.154 0.000 1.111 -251 R HN 0.527 nan 8.270 nan 0.000 0.452 -250 Y N 5.329 125.688 120.300 0.099 0.000 2.354 -250 Y HA 0.205 4.755 4.550 0.000 0.000 0.330 -250 Y C -0.517 175.426 175.900 0.072 0.000 1.011 -250 Y CA -0.936 57.221 58.100 0.096 0.000 1.099 -250 Y CB 1.169 39.694 38.460 0.108 0.000 1.179 -250 Y HN 0.808 nan 8.280 nan 0.000 0.442 -249 N N 4.542 122.964 118.700 -0.463 0.000 2.727 -249 N HA -0.228 4.512 4.740 0.000 0.000 0.249 -249 N C 0.876 176.309 175.510 -0.129 0.000 1.048 -249 N CA 1.865 54.699 53.050 -0.359 0.000 0.714 -249 N CB -1.000 37.174 38.487 -0.521 0.000 0.959 -249 N HN 1.442 nan 8.380 nan 0.000 0.544 -248 G N -1.427 107.339 108.800 -0.058 0.000 2.258 -248 G HA2 -0.301 3.659 3.960 0.000 0.000 0.233 -248 G HA3 -0.301 3.659 3.960 0.000 0.000 0.233 -248 G C 0.010 174.913 174.900 0.005 0.000 1.006 -248 G CA 0.611 45.699 45.100 -0.019 0.000 0.620 -248 G HN 0.465 nan 8.290 nan 0.000 0.511 -247 K N 0.439 120.858 120.400 0.032 0.000 2.164 -247 K HA 0.691 5.011 4.320 0.000 0.000 0.258 -247 K C 0.162 176.808 176.600 0.075 0.000 0.951 -247 K CA -0.847 55.467 56.287 0.044 0.000 0.844 -247 K CB 1.926 34.462 32.500 0.061 0.000 1.099 -247 K HN 0.146 nan 8.250 nan 0.000 0.435 -246 L N 4.611 125.853 121.223 0.031 0.000 2.360 -246 L HA 0.201 4.541 4.340 0.000 0.000 0.276 -246 L C 1.154 178.057 176.870 0.055 0.000 1.121 -246 L CA 0.065 54.933 54.840 0.047 0.000 0.845 -246 L CB 0.144 42.182 42.059 -0.035 0.000 1.143 -246 L HN 0.734 nan 8.230 nan 0.000 0.452 -245 I N -0.105 120.525 120.570 0.099 0.000 4.154 -245 I HA 0.600 4.771 4.170 0.000 0.000 0.334 -245 I C 0.419 176.602 176.117 0.110 0.000 1.371 -245 I CA -0.162 61.216 61.300 0.131 0.000 1.110 -245 I CB 0.595 38.727 38.000 0.221 0.000 1.085 -245 I HN 0.510 nan 8.210 nan 0.000 0.398 -244 A N 0.181 122.993 122.820 -0.013 0.000 2.601 -244 A HA 0.677 4.997 4.320 0.000 0.000 0.291 -244 A C -2.042 175.441 177.584 -0.169 0.000 1.075 -244 A CA -0.433 51.536 52.037 -0.113 0.000 0.671 -244 A CB 0.628 19.379 19.000 -0.416 0.000 1.277 -244 A HN 0.168 nan 8.150 nan 0.000 0.417 -243 Y N 0.923 121.175 120.300 -0.080 0.000 2.327 -243 Y HA 0.460 5.010 4.550 0.000 0.000 0.336 -243 Y C -2.140 173.593 175.900 -0.278 0.000 1.035 -243 Y CA -1.843 56.193 58.100 -0.107 0.000 1.165 -243 Y CB 1.108 39.546 38.460 -0.037 0.000 1.181 -243 Y HN 0.382 nan 8.280 nan 0.000 0.494 -242 P HA 0.099 nan 4.420 nan 0.000 0.276 -242 P C -0.056 177.132 177.300 -0.188 0.000 1.230 -242 P CA 0.174 63.079 63.100 -0.326 0.000 0.776 -242 P CB 1.198 32.562 31.700 -0.561 0.000 0.888 -241 I N 0.866 121.383 120.570 -0.088 0.000 3.518 -241 I HA 0.351 4.521 4.170 0.000 0.000 0.260 -241 I C 0.871 176.996 176.117 0.014 0.000 1.148 -241 I CA 0.343 61.651 61.300 0.012 0.000 1.440 -241 I CB -0.884 37.206 38.000 0.150 0.000 1.485 -241 I HN 0.273 nan 8.210 nan 0.000 0.456 -240 A N 0.920 123.753 122.820 0.022 0.000 2.539 -240 A HA 0.706 5.026 4.320 0.000 0.000 0.296 -240 A C -1.145 176.470 177.584 0.052 0.000 1.073 -240 A CA -0.361 51.706 52.037 0.050 0.000 0.700 -240 A CB 1.922 20.969 19.000 0.078 0.000 1.296 -240 A HN -0.106 nan 8.150 nan 0.000 0.405 -239 V N 1.871 121.835 119.914 0.084 0.000 2.347 -239 V HA 0.375 4.496 4.120 0.000 0.000 0.280 -239 V C -0.330 175.852 176.094 0.146 0.000 1.021 -239 V CA -0.359 62.018 62.300 0.128 0.000 0.847 -239 V CB 0.950 32.888 31.823 0.191 0.000 0.990 -239 V HN 0.874 nan 8.190 nan 0.000 0.444 -238 E N 3.804 124.118 120.200 0.190 0.000 2.133 -238 E HA 0.756 5.106 4.350 0.000 0.000 0.274 -238 E C -0.432 176.324 176.600 0.260 0.000 0.930 -238 E CA -0.547 56.004 56.400 0.252 0.000 0.770 -238 E CB 2.218 32.145 29.700 0.378 0.000 1.104 -238 E HN 0.769 nan 8.360 nan 0.000 0.403 -237 A N 3.989 126.907 122.820 0.164 0.000 2.374 -237 A HA 0.480 4.800 4.320 0.000 0.000 0.305 -237 A C -0.500 177.105 177.584 0.035 0.000 1.053 -237 A CA -0.740 51.374 52.037 0.129 0.000 0.726 -237 A CB 0.771 19.833 19.000 0.104 0.000 1.229 -237 A HN 0.608 nan 8.150 nan 0.000 0.431 -236 L N 1.676 122.896 121.223 -0.005 0.000 2.461 -236 L HA 0.379 4.719 4.340 0.000 0.000 0.272 -236 L C 0.578 177.442 176.870 -0.009 0.000 1.197 -236 L CA 0.227 55.031 54.840 -0.060 0.000 0.836 -236 L CB 1.027 43.003 42.059 -0.138 0.000 1.105 -236 L HN 0.743 nan 8.230 nan 0.000 0.477 -235 S N 1.670 117.376 115.700 0.009 0.000 2.661 -235 S HA 0.512 4.982 4.470 0.000 0.000 0.285 -235 S C -1.015 173.590 174.600 0.009 0.000 1.138 -235 S CA -0.671 57.552 58.200 0.038 0.000 0.855 -235 S CB 1.983 65.251 63.200 0.113 0.000 1.136 -235 S HN 0.356 nan 8.310 nan 0.000 0.484 -234 L N 2.411 123.630 121.223 -0.005 0.000 2.315 -234 L HA 0.487 4.827 4.340 0.000 0.000 0.283 -234 L C -1.146 175.750 176.870 0.044 0.000 1.089 -234 L CA 0.337 55.161 54.840 -0.027 0.000 0.833 -234 L CB -0.428 41.590 42.059 -0.068 0.000 1.170 -234 L HN 0.497 nan 8.230 nan 0.000 0.442 -233 I N 6.731 127.276 120.570 -0.042 0.000 2.336 -233 I HA 0.337 4.507 4.170 0.000 0.000 0.292 -233 I C -0.827 175.245 176.117 -0.075 0.000 0.991 -233 I CA -0.740 60.485 61.300 -0.125 0.000 1.227 -233 I CB 0.882 38.666 38.000 -0.360 0.000 1.366 -233 I HN 0.611 nan 8.210 nan 0.000 0.466 -232 Y N 4.362 124.688 120.300 0.043 0.000 2.553 -232 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 -232 Y C -0.804 175.362 175.900 0.443 0.000 1.019 -232 Y CA -1.458 56.787 58.100 0.242 0.000 1.032 -232 Y CB 0.982 39.497 38.460 0.092 0.000 1.284 -232 Y HN 0.451 nan 8.280 nan 0.000 0.466 -231 N N 2.801 121.798 118.700 0.495 0.000 2.420 -231 N HA 0.151 4.892 4.740 0.000 0.000 0.249 -231 N C 0.054 175.673 175.510 0.181 0.000 1.033 -231 N CA -0.135 53.024 53.050 0.182 0.000 0.944 -231 N CB 1.110 39.580 38.487 -0.028 0.000 1.113 -231 N HN 0.913 nan 8.380 nan 0.000 0.502 -230 K N 1.913 122.352 120.400 0.065 0.000 2.211 -230 K HA -0.081 4.240 4.320 0.000 0.000 0.203 -230 K C 0.424 177.076 176.600 0.086 0.000 1.050 -230 K CA 0.943 57.302 56.287 0.120 0.000 0.945 -230 K CB 0.375 32.880 32.500 0.009 0.000 0.732 -230 K HN 0.517 nan 8.250 nan 0.000 0.451 -229 D N 0.871 121.293 120.400 0.037 0.000 2.149 -229 D HA -0.069 4.572 4.640 0.000 0.000 0.201 -229 D C 1.833 178.148 176.300 0.026 0.000 0.972 -229 D CA 0.956 54.966 54.000 0.017 0.000 0.835 -229 D CB 0.107 40.901 40.800 -0.010 0.000 0.966 -229 D HN 0.154 nan 8.370 nan 0.000 0.476 -228 L N -0.496 120.750 121.223 0.038 0.000 2.307 -228 L HA 0.067 4.407 4.340 0.000 0.000 0.211 -228 L C 0.476 177.381 176.870 0.058 0.000 1.099 -228 L CA 0.258 55.121 54.840 0.039 0.000 0.816 -228 L CB 0.476 42.557 42.059 0.035 0.000 0.952 -228 L HN -0.042 nan 8.230 nan 0.000 0.455 -227 L N 0.390 121.674 121.223 0.101 0.000 2.457 -227 L HA 0.341 4.681 4.340 0.000 0.000 0.259 -227 L C -1.993 174.947 176.870 0.116 0.000 1.377 -227 L CA -1.275 53.618 54.840 0.088 0.000 0.887 -227 L CB 0.959 43.079 42.059 0.103 0.000 1.085 -227 L HN -0.276 nan 8.230 nan 0.000 0.509 -226 P HA -0.065 nan 4.420 nan 0.000 0.218 -226 P C -0.379 176.937 177.300 0.027 0.000 1.149 -226 P CA 1.006 64.154 63.100 0.081 0.000 0.817 -226 P CB 0.229 31.950 31.700 0.036 0.000 0.785 -225 N N 0.788 119.452 118.700 -0.059 0.000 2.483 -225 N HA 0.259 4.999 4.740 0.000 0.000 0.267 -225 N C -2.581 172.775 175.510 -0.256 0.000 0.998 -225 N CA -1.514 51.445 53.050 -0.151 0.000 0.918 -225 N CB 1.562 39.991 38.487 -0.097 0.000 1.215 -225 N HN 0.138 nan 8.380 nan 0.000 0.500 -224 P HA 0.246 nan 4.420 nan 0.000 0.275 -224 P C -2.517 174.603 177.300 -0.299 0.000 1.228 -224 P CA -0.937 61.858 63.100 -0.508 0.000 0.786 -224 P CB -0.015 31.139 31.700 -0.910 0.000 0.927 -223 P HA 0.093 nan 4.420 nan 0.000 0.268 -223 P C 0.435 177.624 177.300 -0.185 0.000 1.205 -223 P CA -0.004 62.992 63.100 -0.174 0.000 0.771 -223 P CB 0.855 32.459 31.700 -0.159 0.000 0.858 -222 K N 0.314 120.634 120.400 -0.133 0.000 2.361 -222 K HA 0.075 4.395 4.320 0.000 0.000 0.196 -222 K C 1.029 177.574 176.600 -0.091 0.000 1.039 -222 K CA 0.781 57.001 56.287 -0.111 0.000 1.001 -222 K CB -0.031 32.422 32.500 -0.078 0.000 0.795 -222 K HN 0.650 nan 8.250 nan 0.000 0.495 -221 T N -3.924 110.581 114.554 -0.081 0.000 2.893 -221 T HA 0.281 4.631 4.350 0.000 0.000 0.291 -221 T C 0.423 175.110 174.700 -0.022 0.000 1.028 -221 T CA -0.893 61.197 62.100 -0.017 0.000 0.995 -221 T CB 1.076 69.956 68.868 0.020 0.000 1.051 -221 T HN 0.105 nan 8.240 nan 0.000 0.470 -220 W N 1.025 122.296 121.300 -0.049 0.000 2.350 -220 W HA 0.045 4.706 4.660 0.000 0.000 0.289 -220 W C 2.113 178.674 176.519 0.071 0.000 1.215 -220 W CA 1.096 58.408 57.345 -0.055 0.000 1.236 -220 W CB -0.287 28.987 29.460 -0.309 0.000 1.130 -220 W HN 0.820 nan 8.180 nan 0.000 0.541 -219 E N 0.119 120.467 120.200 0.247 0.000 2.209 -219 E HA -0.225 4.125 4.350 0.000 0.000 0.196 -219 E C 1.836 178.590 176.600 0.257 0.000 0.993 -219 E CA 1.689 58.278 56.400 0.314 0.000 0.819 -219 E CB -0.409 29.390 29.700 0.165 0.000 0.745 -219 E HN 0.518 nan 8.360 nan 0.000 0.477 -218 E N 0.182 120.470 120.200 0.146 0.000 2.489 -218 E HA -0.010 4.340 4.350 0.000 0.000 0.193 -218 E C 1.654 178.286 176.600 0.053 0.000 1.057 -218 E CA 0.131 56.575 56.400 0.074 0.000 0.866 -218 E CB -0.048 29.663 29.700 0.018 0.000 0.916 -218 E HN 0.288 nan 8.360 nan 0.000 0.500 -217 I N 1.633 122.267 120.570 0.108 0.000 2.252 -217 I HA -0.130 4.040 4.170 0.000 0.000 0.245 -217 I C -0.536 175.547 176.117 -0.057 0.000 1.102 -217 I CA 0.776 62.110 61.300 0.056 0.000 1.385 -217 I CB -1.169 36.912 38.000 0.134 0.000 1.064 -217 I HN 0.098 nan 8.210 nan 0.000 0.414 -216 P HA -0.176 nan 4.420 nan 0.000 0.215 -216 P C 1.567 178.663 177.300 -0.339 0.000 1.157 -216 P CA 1.847 64.649 63.100 -0.498 0.000 0.868 -216 P CB -0.016 31.526 31.700 -0.264 0.000 0.788 -215 A N -0.750 122.002 122.820 -0.115 0.000 1.902 -215 A HA -0.192 4.128 4.320 0.000 0.000 0.217 -215 A C 2.182 179.739 177.584 -0.044 0.000 1.181 -215 A CA 1.537 53.545 52.037 -0.050 0.000 0.623 -215 A CB -1.717 17.277 19.000 -0.009 0.000 0.818 -215 A HN 0.138 nan 8.150 nan 0.000 0.443 -214 L N 0.215 121.411 121.223 -0.045 0.000 2.046 -214 L HA -0.181 4.159 4.340 0.000 0.000 0.208 -214 L C 1.995 178.854 176.870 -0.018 0.000 1.077 -214 L CA 2.659 57.484 54.840 -0.026 0.000 0.747 -214 L CB -0.608 41.436 42.059 -0.024 0.000 0.896 -214 L HN 0.517 nan 8.230 nan 0.000 0.432 -213 D N -0.820 119.551 120.400 -0.048 0.000 2.144 -213 D HA -0.259 4.381 4.640 0.000 0.000 0.199 -213 D C 2.261 178.591 176.300 0.051 0.000 0.984 -213 D CA 1.365 55.368 54.000 0.006 0.000 0.834 -213 D CB -0.046 40.748 40.800 -0.010 0.000 0.955 -213 D HN 0.299 nan 8.370 nan 0.000 0.465 -212 K N 0.273 120.691 120.400 0.029 0.000 2.032 -212 K HA -0.200 4.120 4.320 0.000 0.000 0.209 -212 K C 1.976 178.602 176.600 0.042 0.000 1.048 -212 K CA 1.478 57.804 56.287 0.066 0.000 0.927 -212 K CB -0.044 32.490 32.500 0.057 0.000 0.712 -212 K HN 0.224 nan 8.250 nan 0.000 0.441 -211 E N 0.558 120.772 120.200 0.024 0.000 2.077 -211 E HA -0.194 4.156 4.350 0.000 0.000 0.193 -211 E C 2.175 178.789 176.600 0.023 0.000 0.989 -211 E CA 1.282 57.693 56.400 0.019 0.000 0.800 -211 E CB -0.108 29.598 29.700 0.010 0.000 0.746 -211 E HN 0.308 nan 8.360 nan 0.000 0.452 -210 L N 0.983 122.222 121.223 0.027 0.000 2.093 -210 L HA -0.172 4.168 4.340 0.000 0.000 0.208 -210 L C 2.397 179.287 176.870 0.034 0.000 1.085 -210 L CA 0.857 55.715 54.840 0.030 0.000 0.755 -210 L CB -0.263 41.818 42.059 0.037 0.000 0.904 -210 L HN -0.004 nan 8.230 nan 0.000 0.435 -209 K N 0.245 120.672 120.400 0.045 0.000 2.097 -209 K HA -0.095 4.225 4.320 0.000 0.000 0.206 -209 K C 2.130 178.748 176.600 0.030 0.000 1.049 -209 K CA 1.392 57.705 56.287 0.043 0.000 0.933 -209 K CB -0.432 32.104 32.500 0.060 0.000 0.717 -209 K HN 0.280 nan 8.250 nan 0.000 0.442 -208 A N 1.328 124.165 122.820 0.027 0.000 2.125 -208 A HA -0.132 4.188 4.320 0.000 0.000 0.219 -208 A C 1.773 179.366 177.584 0.014 0.000 1.156 -208 A CA 1.336 53.385 52.037 0.019 0.000 0.671 -208 A CB -0.134 18.877 19.000 0.018 0.000 0.794 -208 A HN 0.192 nan 8.150 nan 0.000 0.459 -207 K N -1.573 118.836 120.400 0.015 0.000 2.373 -207 K HA 0.257 4.577 4.320 0.000 0.000 0.202 -207 K C 0.701 177.307 176.600 0.010 0.000 1.025 -207 K CA 0.416 56.710 56.287 0.010 0.000 1.115 -207 K CB 0.182 32.688 32.500 0.010 0.000 0.858 -207 K HN 0.581 nan 8.250 nan 0.000 0.525 -206 G N 2.471 111.279 108.800 0.013 0.000 2.198 -206 G HA2 -0.229 3.731 3.960 0.000 0.000 0.257 -206 G HA3 -0.229 3.731 3.960 0.000 0.000 0.257 -206 G C -0.184 174.724 174.900 0.012 0.000 1.042 -206 G CA 0.424 45.530 45.100 0.011 0.000 0.791 -206 G HN 0.096 nan 8.290 nan 0.000 0.502 -205 K N -0.580 119.832 120.400 0.020 0.000 2.349 -205 K HA 0.855 5.175 4.320 0.000 0.000 0.243 -205 K C 0.197 176.822 176.600 0.041 0.000 1.058 -205 K CA -0.043 56.259 56.287 0.024 0.000 0.871 -205 K CB 1.801 34.312 32.500 0.020 0.000 1.337 -205 K HN 0.735 nan 8.250 nan 0.000 0.469 -204 S N -1.744 113.987 115.700 0.053 0.000 2.595 -204 S HA 0.613 5.083 4.470 0.000 0.000 0.281 -204 S C 0.551 175.202 174.600 0.086 0.000 1.117 -204 S CA -0.314 57.931 58.200 0.074 0.000 0.873 -204 S CB 1.821 65.069 63.200 0.079 0.000 1.108 -204 S HN 0.556 nan 8.310 nan 0.000 0.477 -203 A N 0.554 123.428 122.820 0.090 0.000 1.872 -203 A HA 0.441 4.762 4.320 0.000 0.000 0.214 -203 A C 0.585 178.240 177.584 0.119 0.000 1.187 -203 A CA 1.189 53.276 52.037 0.085 0.000 0.614 -203 A CB -0.599 18.432 19.000 0.053 0.000 0.826 -203 A HN 1.232 nan 8.150 nan 0.000 0.442 -202 L N -1.031 120.281 121.223 0.148 0.000 2.543 -202 L HA 0.646 4.986 4.340 0.000 0.000 0.265 -202 L C -1.389 175.616 176.870 0.225 0.000 0.945 -202 L CA -0.125 54.833 54.840 0.197 0.000 0.869 -202 L CB 1.702 43.886 42.059 0.208 0.000 1.294 -202 L HN 0.290 nan 8.230 nan 0.000 0.405 -201 M N 6.286 126.032 119.600 0.242 0.000 2.267 -201 M HA 0.621 5.101 4.480 0.000 0.000 0.289 -201 M C -1.430 175.028 176.300 0.264 0.000 1.043 -201 M CA -0.448 54.958 55.300 0.177 0.000 0.928 -201 M CB 2.003 34.667 32.600 0.107 0.000 1.613 -201 M HN 0.590 nan 8.290 nan 0.000 0.450 -200 F N 0.080 120.056 119.950 0.043 0.000 2.685 -200 F HA 0.580 5.107 4.527 0.000 0.000 0.315 -200 F C -0.580 175.177 175.800 -0.071 0.000 1.126 -200 F CA -1.343 56.646 58.000 -0.017 0.000 0.950 -200 F CB 0.835 39.867 39.000 0.054 0.000 1.360 -200 F HN 0.467 nan 8.300 nan 0.000 0.469 -199 N N 1.918 120.525 118.700 -0.156 0.000 2.412 -199 N HA 0.094 4.834 4.740 0.000 0.000 0.279 -199 N C 0.343 175.792 175.510 -0.102 0.000 1.287 -199 N CA 0.179 53.078 53.050 -0.252 0.000 0.948 -199 N CB 0.260 38.416 38.487 -0.552 0.000 1.255 -199 N HN 0.808 nan 8.380 nan 0.000 0.485 -198 L N 1.948 123.068 121.223 -0.172 0.000 2.554 -198 L HA 0.015 4.355 4.340 0.000 0.000 0.226 -198 L C 1.524 178.431 176.870 0.062 0.000 1.137 -198 L CA 0.307 55.100 54.840 -0.078 0.000 0.863 -198 L CB -0.042 41.914 42.059 -0.173 0.000 0.985 -198 L HN 0.442 nan 8.230 nan 0.000 0.451 -197 Q N -0.259 119.588 119.800 0.079 0.000 2.398 -197 Q HA 0.111 4.451 4.340 0.000 0.000 0.204 -197 Q C 0.267 176.374 176.000 0.177 0.000 0.932 -197 Q CA 0.655 56.523 55.803 0.109 0.000 0.916 -197 Q CB 0.341 29.136 28.738 0.095 0.000 1.024 -197 Q HN 0.337 nan 8.270 nan 0.000 0.504 -196 E N 1.490 121.861 120.200 0.285 0.000 2.145 -196 E HA 0.172 4.522 4.350 0.000 0.000 0.270 -196 E C -1.833 175.041 176.600 0.457 0.000 0.906 -196 E CA -2.021 54.598 56.400 0.365 0.000 0.761 -196 E CB 1.936 31.937 29.700 0.501 0.000 1.116 -196 E HN -0.089 nan 8.360 nan 0.000 0.408 -195 P HA -0.164 nan 4.420 nan 0.000 0.228 -195 P C 1.240 178.884 177.300 0.574 0.000 1.151 -195 P CA 0.731 64.106 63.100 0.458 0.000 0.770 -195 P CB 0.130 32.114 31.700 0.472 0.000 0.786 -194 Y N 0.433 120.811 120.300 0.129 0.000 2.256 -194 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 -194 Y C 1.846 177.797 175.900 0.086 0.000 1.155 -194 Y CA 1.537 59.606 58.100 -0.051 0.000 1.203 -194 Y CB -0.969 37.209 38.460 -0.470 0.000 0.980 -194 Y HN -0.197 nan 8.280 nan 0.000 0.530 -193 F N -1.164 119.012 119.950 0.376 0.000 2.416 -193 F HA -0.033 4.494 4.527 0.000 0.000 0.296 -193 F C 2.417 178.406 175.800 0.316 0.000 1.099 -193 F CA 1.316 59.501 58.000 0.307 0.000 1.427 -193 F CB -0.614 38.685 39.000 0.498 0.000 1.079 -193 F HN 0.041 nan 8.300 nan 0.000 0.536 -192 T N -3.586 111.313 114.554 0.575 0.000 3.037 -192 T HA -0.136 4.215 4.350 0.000 0.000 0.251 -192 T C 1.862 176.715 174.700 0.255 0.000 1.079 -192 T CA -0.074 62.278 62.100 0.420 0.000 1.067 -192 T CB -0.715 68.392 68.868 0.398 0.000 0.948 -192 T HN 0.495 nan 8.240 nan 0.000 0.496 -191 W N 2.966 124.375 121.300 0.182 0.000 2.321 -191 W HA -0.103 4.557 4.660 0.000 0.000 0.306 -191 W C -1.682 174.833 176.519 -0.008 0.000 1.217 -191 W CA 1.296 58.716 57.345 0.124 0.000 1.257 -191 W CB -1.159 28.486 29.460 0.309 0.000 1.145 -191 W HN 0.282 nan 8.180 nan 0.000 0.509 -190 P HA -0.232 nan 4.420 nan 0.000 0.216 -190 P C 1.762 178.888 177.300 -0.289 0.000 1.150 -190 P CA 1.810 64.815 63.100 -0.158 0.000 0.843 -190 P CB -0.472 31.226 31.700 -0.004 0.000 0.787 -189 L N -1.175 119.837 121.223 -0.351 0.000 2.095 -189 L HA -0.010 4.330 4.340 0.000 0.000 0.204 -189 L C 2.141 178.647 176.870 -0.607 0.000 1.080 -189 L CA 1.494 55.953 54.840 -0.634 0.000 0.759 -189 L CB -1.122 40.323 42.059 -1.024 0.000 0.914 -189 L HN -0.149 nan 8.230 nan 0.000 0.439 -188 I N 0.030 120.275 120.570 -0.542 0.000 2.208 -188 I HA -0.279 3.891 4.170 0.000 0.000 0.245 -188 I C 2.476 178.161 176.117 -0.720 0.000 1.097 -188 I CA 1.326 62.289 61.300 -0.562 0.000 1.363 -188 I CB -0.586 37.145 38.000 -0.449 0.000 1.051 -188 I HN 0.355 nan 8.210 nan 0.000 0.413 -187 A N 0.409 122.609 122.820 -1.034 0.000 2.067 -187 A HA 0.072 4.392 4.320 0.000 0.000 0.217 -187 A C 2.505 179.859 177.584 -0.383 0.000 1.156 -187 A CA 1.165 52.693 52.037 -0.848 0.000 0.683 -187 A CB -0.565 17.792 19.000 -1.071 0.000 0.808 -187 A HN 0.396 nan 8.150 nan 0.000 0.455 -186 A N 0.276 122.916 122.820 -0.301 0.000 1.873 -186 A HA -0.243 4.077 4.320 0.000 0.000 0.218 -186 A C 1.761 179.319 177.584 -0.043 0.000 1.193 -186 A CA 2.147 54.113 52.037 -0.117 0.000 0.629 -186 A CB -0.555 18.419 19.000 -0.042 0.000 0.826 -186 A HN 0.431 nan 8.150 nan 0.000 0.447 -185 D N -2.687 117.716 120.400 0.005 0.000 2.325 -185 D HA 0.340 4.980 4.640 0.000 0.000 0.225 -185 D C 0.915 177.208 176.300 -0.012 0.000 1.096 -185 D CA 1.094 55.099 54.000 0.009 0.000 0.844 -185 D CB 0.096 40.931 40.800 0.058 0.000 0.925 -185 D HN 0.509 nan 8.370 nan 0.000 0.513 -184 G N -1.330 107.449 108.800 -0.035 0.000 2.613 -184 G HA2 -0.058 3.902 3.960 0.000 0.000 0.199 -184 G HA3 -0.058 3.902 3.960 0.000 0.000 0.199 -184 G C 0.735 175.661 174.900 0.043 0.000 0.991 -184 G CA -0.225 44.889 45.100 0.024 0.000 0.756 -184 G HN 0.481 nan 8.290 nan 0.000 0.515 -183 G N 0.423 109.156 108.800 -0.111 0.000 2.491 -183 G HA2 0.599 4.559 3.960 0.000 0.000 0.238 -183 G HA3 0.599 4.559 3.960 0.000 0.000 0.238 -183 G C -0.203 174.694 174.900 -0.004 0.000 1.277 -183 G CA 0.774 45.765 45.100 -0.183 0.000 0.851 -183 G HN 1.473 nan 8.290 nan 0.000 0.573 -182 Y N -1.710 118.690 120.300 0.167 0.000 2.638 -182 Y HA 0.733 5.283 4.550 0.000 0.000 0.335 -182 Y C 0.599 176.658 175.900 0.265 0.000 1.155 -182 Y CA -0.807 57.461 58.100 0.280 0.000 1.046 -182 Y CB 0.811 39.362 38.460 0.151 0.000 1.303 -182 Y HN 0.662 nan 8.280 nan 0.000 0.460 -181 A N 1.146 124.064 122.820 0.164 0.000 1.865 -181 A HA 0.429 4.749 4.320 0.000 0.000 0.216 -181 A C -0.457 176.786 177.584 -0.567 0.000 1.315 -181 A CA 0.873 52.502 52.037 -0.681 0.000 0.605 -181 A CB -0.420 17.732 19.000 -1.415 0.000 0.984 -181 A HN 0.548 nan 8.150 nan 0.000 0.470 -180 F N -0.648 119.431 119.950 0.215 0.000 2.532 -180 F HA 0.537 5.064 4.527 0.000 0.000 0.321 -180 F C 0.067 176.139 175.800 0.454 0.000 1.089 -180 F CA -0.896 57.313 58.000 0.349 0.000 0.926 -180 F CB 1.761 40.890 39.000 0.215 0.000 1.168 -180 F HN 0.110 nan 8.300 nan 0.000 0.459 -179 K N 1.702 122.394 120.400 0.487 0.000 2.249 -179 K HA 0.190 4.510 4.320 0.000 0.000 0.280 -179 K C -1.290 175.411 176.600 0.170 0.000 1.033 -179 K CA -0.401 55.966 56.287 0.133 0.000 0.946 -179 K CB 0.503 32.971 32.500 -0.053 0.000 1.005 -179 K HN 0.697 nan 8.250 nan 0.000 0.469 -178 Y N 4.410 124.661 120.300 -0.082 0.000 2.585 -178 Y HA 0.101 4.651 4.550 0.000 0.000 0.354 -178 Y C -0.678 175.129 175.900 -0.156 0.000 1.024 -178 Y CA 0.227 58.159 58.100 -0.279 0.000 1.321 -178 Y CB 0.465 38.697 38.460 -0.381 0.000 1.151 -178 Y HN 0.519 nan 8.280 nan 0.000 0.525 -177 E N 4.590 124.628 120.200 -0.271 0.000 2.234 -177 E HA 0.166 4.516 4.350 0.000 0.000 0.266 -177 E C -0.521 175.944 176.600 -0.224 0.000 0.877 -177 E CA -0.996 55.312 56.400 -0.153 0.000 0.758 -177 E CB 1.449 31.107 29.700 -0.071 0.000 1.170 -177 E HN 0.749 nan 8.360 nan 0.000 0.415 -176 N N 1.416 120.036 118.700 -0.134 0.000 2.705 -176 N HA -0.280 4.460 4.740 0.000 0.000 0.255 -176 N C 0.622 176.018 175.510 -0.190 0.000 1.008 -176 N CA 0.516 53.496 53.050 -0.118 0.000 0.742 -176 N CB -0.651 37.785 38.487 -0.085 0.000 0.906 -176 N HN 0.934 nan 8.380 nan 0.000 0.541 -175 G N -0.135 108.512 108.800 -0.254 0.000 2.168 -175 G HA2 -0.360 3.601 3.960 0.000 0.000 0.257 -175 G HA3 -0.360 3.601 3.960 0.000 0.000 0.257 -175 G C -0.129 174.416 174.900 -0.591 0.000 0.997 -175 G CA 1.200 46.140 45.100 -0.266 0.000 0.708 -175 G HN 0.811 nan 8.290 nan 0.000 0.520 -174 K N -1.807 118.035 120.400 -0.930 0.000 2.568 -174 K HA 0.558 4.878 4.320 0.000 0.000 0.273 -174 K C -0.770 175.409 176.600 -0.702 0.000 0.951 -174 K CA -1.402 54.453 56.287 -0.721 0.000 0.854 -174 K CB 0.988 33.330 32.500 -0.264 0.000 1.424 -174 K HN -0.008 nan 8.250 nan 0.000 0.427 -173 Y N 1.299 121.440 120.300 -0.264 0.000 2.569 -173 Y HA 0.007 4.557 4.550 0.000 0.000 0.332 -173 Y C 0.445 176.311 175.900 -0.057 0.000 1.120 -173 Y CA 0.274 58.338 58.100 -0.060 0.000 1.416 -173 Y CB 0.468 38.958 38.460 0.050 0.000 1.210 -173 Y HN 0.561 nan 8.280 nan 0.000 0.528 -172 D N 5.298 125.784 120.400 0.142 0.000 2.374 -172 D HA 0.047 4.687 4.640 0.000 0.000 0.240 -172 D C 1.048 177.471 176.300 0.205 0.000 1.229 -172 D CA -0.110 53.965 54.000 0.124 0.000 0.895 -172 D CB 0.409 41.274 40.800 0.110 0.000 1.046 -172 D HN 0.668 nan 8.370 nan 0.000 0.498 -171 I N 0.617 121.248 120.570 0.101 0.000 2.916 -171 I HA -0.092 4.078 4.170 0.000 0.000 0.267 -171 I C 1.348 177.666 176.117 0.335 0.000 1.263 -171 I CA 0.471 61.807 61.300 0.060 0.000 1.471 -171 I CB -0.022 37.951 38.000 -0.044 0.000 1.089 -171 I HN 0.038 nan 8.210 nan 0.000 0.468 -170 K N 0.572 121.120 120.400 0.246 0.000 2.356 -170 K HA 0.038 4.358 4.320 0.000 0.000 0.195 -170 K C 0.285 177.017 176.600 0.219 0.000 1.037 -170 K CA 0.217 56.605 56.287 0.169 0.000 1.014 -170 K CB 0.157 32.619 32.500 -0.063 0.000 0.815 -170 K HN 0.169 nan 8.250 nan 0.000 0.507 -169 D N 1.532 122.103 120.400 0.284 0.000 2.479 -169 D HA 0.103 4.744 4.640 0.000 0.000 0.218 -169 D C -1.254 175.318 176.300 0.453 0.000 1.131 -169 D CA -0.159 54.033 54.000 0.320 0.000 0.916 -169 D CB 0.553 41.520 40.800 0.279 0.000 1.022 -169 D HN -0.266 nan 8.370 nan 0.000 0.515 -168 V N 2.326 122.422 119.914 0.303 0.000 2.472 -168 V HA 0.599 4.720 4.120 0.000 0.000 0.290 -168 V C 1.286 177.279 176.094 -0.169 0.000 1.037 -168 V CA -0.573 61.800 62.300 0.122 0.000 0.908 -168 V CB 1.980 33.873 31.823 0.116 0.000 0.985 -168 V HN 0.605 nan 8.190 nan 0.000 0.454 -167 G N 2.117 110.542 108.800 -0.625 0.000 3.899 -167 G HA2 0.241 4.201 3.960 0.000 0.000 0.293 -167 G HA3 0.241 4.201 3.960 0.000 0.000 0.293 -167 G C 0.753 175.403 174.900 -0.417 0.000 1.054 -167 G CA 0.554 44.980 45.100 -1.123 0.000 0.846 -167 G HN 0.789 nan 8.290 nan 0.000 0.525 -166 V N -3.084 116.752 119.914 -0.130 0.000 3.623 -166 V HA 0.240 4.360 4.120 0.000 0.000 0.271 -166 V C 0.757 176.849 176.094 -0.004 0.000 1.248 -166 V CA 1.197 63.525 62.300 0.047 0.000 1.156 -166 V CB 0.506 32.387 31.823 0.097 0.000 0.870 -166 V HN 0.126 nan 8.190 nan 0.000 0.453 -165 D N 1.236 121.608 120.400 -0.047 0.000 2.740 -165 D HA 0.180 4.820 4.640 0.000 0.000 0.301 -165 D C 0.219 176.503 176.300 -0.027 0.000 1.408 -165 D CA -0.253 53.734 54.000 -0.022 0.000 0.808 -165 D CB -0.025 40.775 40.800 -0.001 0.000 1.128 -165 D HN 0.739 nan 8.370 nan 0.000 0.465 -164 N N -0.757 117.913 118.700 -0.050 0.000 2.491 -164 N HA 0.436 5.176 4.740 0.000 0.000 0.279 -164 N C 1.366 176.870 175.510 -0.009 0.000 1.236 -164 N CA -0.106 52.931 53.050 -0.023 0.000 0.982 -164 N CB 0.293 38.767 38.487 -0.022 0.000 1.194 -164 N HN -0.150 nan 8.380 nan 0.000 0.582 -163 A N -0.285 122.540 122.820 0.009 0.000 1.892 -163 A HA -0.067 4.253 4.320 0.000 0.000 0.218 -163 A C 2.006 179.600 177.584 0.016 0.000 1.188 -163 A CA 2.308 54.354 52.037 0.015 0.000 0.631 -163 A CB -1.813 17.198 19.000 0.018 0.000 0.822 -163 A HN 0.817 nan 8.150 nan 0.000 0.447 -162 G N -0.976 107.829 108.800 0.008 0.000 2.408 -162 G HA2 0.048 4.008 3.960 0.000 0.000 0.217 -162 G HA3 0.048 4.008 3.960 0.000 0.000 0.217 -162 G C 1.707 176.587 174.900 -0.033 0.000 1.150 -162 G CA 1.414 46.517 45.100 0.006 0.000 0.776 -162 G HN 0.834 nan 8.290 nan 0.000 0.542 -161 A N 0.795 123.572 122.820 -0.072 0.000 1.898 -161 A HA 0.058 4.378 4.320 0.000 0.000 0.216 -161 A C 2.289 179.836 177.584 -0.062 0.000 1.181 -161 A CA 1.853 53.824 52.037 -0.110 0.000 0.620 -161 A CB -0.321 18.627 19.000 -0.087 0.000 0.819 -161 A HN 0.353 nan 8.150 nan 0.000 0.442 -160 K N -0.249 120.138 120.400 -0.020 0.000 2.057 -160 K HA -0.091 4.229 4.320 0.000 0.000 0.207 -160 K C 2.322 178.940 176.600 0.028 0.000 1.049 -160 K CA 1.192 57.481 56.287 0.004 0.000 0.931 -160 K CB -0.326 32.183 32.500 0.015 0.000 0.714 -160 K HN 0.442 nan 8.250 nan 0.000 0.440 -159 A N 1.107 123.969 122.820 0.070 0.000 1.877 -159 A HA -0.093 4.228 4.320 0.000 0.000 0.216 -159 A C 2.427 180.092 177.584 0.136 0.000 1.186 -159 A CA 1.948 54.097 52.037 0.187 0.000 0.620 -159 A CB -1.256 17.901 19.000 0.262 0.000 0.822 -159 A HN 0.434 nan 8.150 nan 0.000 0.443 -158 G N -0.320 108.440 108.800 -0.067 0.000 2.446 -158 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 -158 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 -158 G C 1.490 176.189 174.900 -0.334 0.000 1.168 -158 G CA 1.286 46.079 45.100 -0.511 0.000 0.771 -158 G HN 0.475 nan 8.290 nan 0.000 0.551 -157 L N 0.802 121.931 121.223 -0.157 0.000 2.156 -157 L HA 0.092 4.432 4.340 0.000 0.000 0.208 -157 L C 2.890 179.739 176.870 -0.036 0.000 1.095 -157 L CA 2.201 56.991 54.840 -0.083 0.000 0.770 -157 L CB -0.830 41.206 42.059 -0.040 0.000 0.914 -157 L HN 0.167 nan 8.230 nan 0.000 0.439 -156 T N -0.631 113.923 114.554 -0.001 0.000 2.720 -156 T HA -0.231 4.119 4.350 0.000 0.000 0.268 -156 T C 1.645 176.371 174.700 0.044 0.000 1.037 -156 T CA 1.905 64.026 62.100 0.034 0.000 1.144 -156 T CB -0.538 68.374 68.868 0.073 0.000 0.864 -156 T HN 0.353 nan 8.240 nan 0.000 0.444 -155 F N 1.386 121.279 119.950 -0.096 0.000 2.095 -155 F HA -0.079 4.448 4.527 0.000 0.000 0.298 -155 F C 2.007 177.754 175.800 -0.089 0.000 1.104 -155 F CA 0.919 58.858 58.000 -0.101 0.000 1.232 -155 F CB -0.431 38.373 39.000 -0.327 0.000 0.987 -155 F HN 0.048 nan 8.300 nan 0.000 0.475 -154 L N -0.334 120.883 121.223 -0.009 0.000 2.017 -154 L HA -0.154 4.186 4.340 0.000 0.000 0.208 -154 L C 2.184 179.029 176.870 -0.041 0.000 1.073 -154 L CA 1.581 56.417 54.840 -0.006 0.000 0.745 -154 L CB -0.839 41.223 42.059 0.005 0.000 0.894 -154 L HN 0.030 nan 8.230 nan 0.000 0.432 -153 V N -0.080 119.807 119.914 -0.045 0.000 2.343 -153 V HA -0.288 3.832 4.120 0.000 0.000 0.247 -153 V C 2.260 178.313 176.094 -0.068 0.000 1.051 -153 V CA 1.949 64.223 62.300 -0.043 0.000 1.036 -153 V CB -0.838 30.968 31.823 -0.028 0.000 0.654 -153 V HN 0.463 nan 8.190 nan 0.000 0.451 -152 D N 0.094 120.430 120.400 -0.106 0.000 2.117 -152 D HA -0.129 4.511 4.640 0.000 0.000 0.197 -152 D C 2.164 178.383 176.300 -0.135 0.000 0.987 -152 D CA 1.111 55.032 54.000 -0.131 0.000 0.829 -152 D CB -0.340 40.357 40.800 -0.172 0.000 0.961 -152 D HN 0.314 nan 8.370 nan 0.000 0.460 -151 L N 0.365 121.477 121.223 -0.185 0.000 2.081 -151 L HA -0.199 4.141 4.340 0.000 0.000 0.212 -151 L C 2.416 179.284 176.870 -0.004 0.000 1.080 -151 L CA 0.923 55.745 54.840 -0.029 0.000 0.754 -151 L CB -0.320 41.749 42.059 0.016 0.000 0.893 -151 L HN 0.094 nan 8.230 nan 0.000 0.433 -150 I N -0.719 119.826 120.570 -0.041 0.000 2.277 -150 I HA -0.235 3.935 4.170 0.000 0.000 0.243 -150 I C 2.498 178.567 176.117 -0.080 0.000 1.094 -150 I CA 1.023 62.292 61.300 -0.052 0.000 1.393 -150 I CB -0.261 37.713 38.000 -0.043 0.000 1.078 -150 I HN 0.165 nan 8.210 nan 0.000 0.417 -149 K N 1.068 121.422 120.400 -0.076 0.000 2.103 -149 K HA -0.179 4.141 4.320 0.000 0.000 0.207 -149 K C 1.114 177.646 176.600 -0.113 0.000 1.048 -149 K CA 1.730 57.971 56.287 -0.077 0.000 0.930 -149 K CB -0.373 32.092 32.500 -0.059 0.000 0.716 -149 K HN 0.430 nan 8.250 nan 0.000 0.444 -148 N N 0.759 119.363 118.700 -0.161 0.000 2.313 -148 N HA 0.019 4.759 4.740 0.000 0.000 0.207 -148 N C -0.830 174.355 175.510 -0.541 0.000 1.141 -148 N CA -0.079 52.798 53.050 -0.289 0.000 0.830 -148 N CB 0.450 38.802 38.487 -0.225 0.000 1.008 -148 N HN -0.012 nan 8.380 nan 0.000 0.481 -147 K N 0.151 120.355 120.400 -0.327 0.000 3.071 -147 K HA -0.227 4.093 4.320 0.000 0.000 0.265 -147 K C -0.451 175.987 176.600 -0.270 0.000 1.060 -147 K CA 0.658 56.795 56.287 -0.249 0.000 0.767 -147 K CB -2.052 30.339 32.500 -0.182 0.000 1.241 -147 K HN 0.595 nan 8.250 nan 0.000 0.486 -146 H N -1.125 117.943 119.070 -0.003 0.000 2.562 -146 H HA 0.292 4.849 4.556 0.000 0.000 0.267 -146 H C 1.037 176.384 175.328 0.031 0.000 0.959 -146 H CA 0.494 56.554 56.048 0.020 0.000 1.204 -146 H CB 0.430 30.210 29.762 0.029 0.000 1.430 -146 H HN 0.254 nan 8.280 nan 0.000 0.545 -145 M N 0.178 119.826 119.600 0.080 0.000 2.569 -145 M HA 0.220 4.700 4.480 0.000 0.000 0.279 -145 M C -0.903 175.384 176.300 -0.022 0.000 1.253 -145 M CA -0.879 54.441 55.300 0.032 0.000 0.867 -145 M CB 2.894 35.513 32.600 0.031 0.000 1.727 -145 M HN -0.166 nan 8.290 nan 0.000 0.467 -144 N N 0.341 119.016 118.700 -0.042 0.000 2.408 -144 N HA 0.541 5.281 4.740 0.000 0.000 0.280 -144 N C 0.269 175.738 175.510 -0.069 0.000 1.002 -144 N CA -0.039 52.981 53.050 -0.051 0.000 0.907 -144 N CB 1.901 40.362 38.487 -0.044 0.000 1.161 -144 N HN 0.774 nan 8.380 nan 0.000 0.488 -143 A N 2.886 125.671 122.820 -0.057 0.000 1.986 -143 A HA -0.160 4.160 4.320 0.000 0.000 0.220 -143 A C 0.955 178.507 177.584 -0.054 0.000 1.171 -143 A CA 1.590 53.593 52.037 -0.055 0.000 0.640 -143 A CB -0.215 18.763 19.000 -0.038 0.000 0.811 -143 A HN 0.755 nan 8.150 nan 0.000 0.451 -142 D N -0.258 120.113 120.400 -0.048 0.000 2.340 -142 D HA 0.050 4.690 4.640 0.000 0.000 0.220 -142 D C 0.092 176.361 176.300 -0.052 0.000 1.039 -142 D CA 0.403 54.379 54.000 -0.039 0.000 0.866 -142 D CB -0.498 40.284 40.800 -0.030 0.000 0.913 -142 D HN 0.237 nan 8.370 nan 0.000 0.523 -141 T N 2.894 117.400 114.554 -0.079 0.000 2.829 -141 T HA 0.103 4.453 4.350 0.000 0.000 0.293 -141 T C 0.395 175.039 174.700 -0.092 0.000 0.970 -141 T CA -0.046 61.995 62.100 -0.098 0.000 1.168 -141 T CB 0.721 69.507 68.868 -0.136 0.000 0.911 -141 T HN 0.234 nan 8.240 nan 0.000 0.535 -140 D N 2.318 122.671 120.400 -0.079 0.000 2.627 -140 D HA 0.110 4.750 4.640 0.000 0.000 0.259 -140 D C 1.405 177.673 176.300 -0.054 0.000 1.164 -140 D CA -0.940 53.043 54.000 -0.027 0.000 1.087 -140 D CB 0.055 40.870 40.800 0.025 0.000 1.217 -140 D HN 0.487 nan 8.370 nan 0.000 0.630 -139 Y N -1.136 119.133 120.300 -0.051 0.000 2.224 -139 Y HA -0.068 4.482 4.550 0.000 0.000 0.289 -139 Y C 2.277 178.172 175.900 -0.009 0.000 1.146 -139 Y CA 1.777 59.846 58.100 -0.051 0.000 1.182 -139 Y CB -0.703 37.763 38.460 0.009 0.000 0.983 -139 Y HN 0.176 nan 8.280 nan 0.000 0.524 -138 S N 0.264 115.326 115.700 -1.062 0.000 2.421 -138 S HA 0.054 4.524 4.470 0.000 0.000 0.224 -138 S C 1.883 176.268 174.600 -0.359 0.000 1.035 -138 S CA 0.786 58.427 58.200 -0.930 0.000 0.953 -138 S CB -0.453 61.980 63.200 -1.278 0.000 0.810 -138 S HN 0.502 nan 8.310 nan 0.000 0.497 -137 I N 1.654 122.058 120.570 -0.277 0.000 2.163 -137 I HA -0.208 3.962 4.170 0.000 0.000 0.243 -137 I C 2.661 178.735 176.117 -0.072 0.000 1.085 -137 I CA 1.256 62.475 61.300 -0.136 0.000 1.347 -137 I CB -0.424 37.512 38.000 -0.106 0.000 1.044 -137 I HN 0.292 nan 8.210 nan 0.000 0.408 -136 A N 0.096 122.877 122.820 -0.065 0.000 1.858 -136 A HA -0.274 4.046 4.320 0.000 0.000 0.216 -136 A C 2.331 179.953 177.584 0.065 0.000 1.190 -136 A CA 1.954 53.997 52.037 0.011 0.000 0.617 -136 A CB -0.740 18.263 19.000 0.005 0.000 0.827 -136 A HN 0.470 nan 8.150 nan 0.000 0.443 -135 E N -0.299 119.926 120.200 0.042 0.000 2.058 -135 E HA -0.171 4.179 4.350 0.000 0.000 0.194 -135 E C 2.189 178.847 176.600 0.097 0.000 0.997 -135 E CA 1.119 57.576 56.400 0.095 0.000 0.801 -135 E CB -0.239 29.523 29.700 0.103 0.000 0.746 -135 E HN 0.544 nan 8.360 nan 0.000 0.450 -134 A N 1.119 123.958 122.820 0.030 0.000 1.898 -134 A HA -0.087 4.233 4.320 0.000 0.000 0.216 -134 A C 2.379 179.981 177.584 0.030 0.000 1.181 -134 A CA 1.773 53.821 52.037 0.018 0.000 0.620 -134 A CB -0.733 18.254 19.000 -0.022 0.000 0.819 -134 A HN 0.403 nan 8.150 nan 0.000 0.442 -133 A N -1.141 121.703 122.820 0.041 0.000 1.883 -133 A HA -0.098 4.222 4.320 0.000 0.000 0.217 -133 A C 2.103 179.730 177.584 0.072 0.000 1.186 -133 A CA 1.665 53.731 52.037 0.048 0.000 0.624 -133 A CB -0.777 18.258 19.000 0.059 0.000 0.822 -133 A HN 0.667 nan 8.150 nan 0.000 0.444 -132 F N 1.078 121.031 119.950 0.006 0.000 2.134 -132 F HA -0.164 4.364 4.527 0.000 0.000 0.299 -132 F C 2.114 177.911 175.800 -0.005 0.000 1.097 -132 F CA 1.979 59.985 58.000 0.009 0.000 1.264 -132 F CB -0.085 38.922 39.000 0.012 0.000 1.001 -132 F HN 0.211 nan 8.300 nan 0.000 0.479 -131 N N 0.390 119.112 118.700 0.036 0.000 2.409 -131 N HA -0.092 4.648 4.740 0.000 0.000 0.179 -131 N C 1.280 176.735 175.510 -0.091 0.000 1.032 -131 N CA 0.788 53.814 53.050 -0.040 0.000 0.898 -131 N CB -0.161 38.360 38.487 0.057 0.000 0.971 -131 N HN 0.411 nan 8.380 nan 0.000 0.441 -130 K N 0.054 120.410 120.400 -0.075 0.000 2.487 -130 K HA 0.094 4.414 4.320 0.000 0.000 0.192 -130 K C 0.695 177.232 176.600 -0.105 0.000 1.027 -130 K CA 0.213 56.458 56.287 -0.070 0.000 1.054 -130 K CB 0.366 32.843 32.500 -0.039 0.000 0.824 -130 K HN 0.138 nan 8.250 nan 0.000 0.510 -129 G N 1.865 110.554 108.800 -0.185 0.000 2.137 -129 G HA2 -0.281 3.679 3.960 0.000 0.000 0.237 -129 G HA3 -0.281 3.679 3.960 0.000 0.000 0.237 -129 G C 0.382 175.210 174.900 -0.120 0.000 1.002 -129 G CA 0.407 45.389 45.100 -0.196 0.000 0.702 -129 G HN 0.440 nan 8.290 nan 0.000 0.515 -128 E N -1.038 119.111 120.200 -0.085 0.000 2.276 -128 E HA 0.179 4.529 4.350 0.000 0.000 0.193 -128 E C 1.088 177.691 176.600 0.005 0.000 0.983 -128 E CA 0.989 57.372 56.400 -0.028 0.000 0.861 -128 E CB 0.511 30.205 29.700 -0.010 0.000 0.817 -128 E HN 0.308 nan 8.360 nan 0.000 0.485 -127 T N -1.310 113.259 114.554 0.024 0.000 2.876 -127 T HA 0.491 4.842 4.350 0.000 0.000 0.289 -127 T C 0.227 175.018 174.700 0.151 0.000 1.014 -127 T CA -0.287 61.877 62.100 0.107 0.000 0.986 -127 T CB 1.655 70.624 68.868 0.168 0.000 1.021 -127 T HN 0.004 nan 8.240 nan 0.000 0.458 -126 A N 4.281 127.204 122.820 0.171 0.000 2.123 -126 A HA 0.458 4.778 4.320 0.000 0.000 0.214 -126 A C 0.698 178.514 177.584 0.386 0.000 1.152 -126 A CA 0.625 52.786 52.037 0.207 0.000 0.728 -126 A CB -0.139 18.941 19.000 0.134 0.000 0.814 -126 A HN 0.732 nan 8.150 nan 0.000 0.464 -125 M N -1.776 118.043 119.600 0.364 0.000 2.470 -125 M HA 0.437 4.918 4.480 0.000 0.000 0.285 -125 M C -0.721 175.676 176.300 0.162 0.000 1.213 -125 M CA -0.194 55.257 55.300 0.253 0.000 0.901 -125 M CB 2.546 35.210 32.600 0.106 0.000 1.718 -125 M HN 0.058 nan 8.290 nan 0.000 0.469 -124 T N 1.346 115.853 114.554 -0.080 0.000 2.812 -124 T HA 0.816 5.166 4.350 0.000 0.000 0.294 -124 T C -1.914 172.733 174.700 -0.088 0.000 1.159 -124 T CA -0.524 61.541 62.100 -0.058 0.000 1.008 -124 T CB 1.524 70.302 68.868 -0.150 0.000 1.289 -124 T HN 0.579 nan 8.240 nan 0.000 0.514 -123 I N 3.324 123.900 120.570 0.010 0.000 2.418 -123 I HA 0.576 4.746 4.170 0.000 0.000 0.287 -123 I C -0.278 175.953 176.117 0.190 0.000 1.008 -123 I CA -0.685 60.627 61.300 0.020 0.000 1.104 -123 I CB 1.785 39.715 38.000 -0.117 0.000 1.264 -123 I HN 0.492 nan 8.210 nan 0.000 0.438 -122 N N 2.833 121.604 118.700 0.119 0.000 3.261 -122 N HA 0.490 5.231 4.740 0.000 0.000 0.248 -122 N C -0.890 174.496 175.510 -0.208 0.000 1.498 -122 N CA -0.352 52.781 53.050 0.138 0.000 0.884 -122 N CB 2.079 40.598 38.487 0.055 0.000 1.428 -122 N HN 0.633 nan 8.380 nan 0.000 0.517 -121 G N -0.012 108.315 108.800 -0.788 0.000 2.531 -121 G HA2 0.450 4.410 3.960 0.000 0.000 0.313 -121 G HA3 0.450 4.410 3.960 0.000 0.000 0.313 -121 G C -1.885 172.074 174.900 -1.570 0.000 1.238 -121 G CA -1.033 43.200 45.100 -1.446 0.000 0.994 -121 G HN 0.381 nan 8.290 nan 0.000 0.493 -120 P HA -0.078 nan 4.420 nan 0.000 0.220 -120 P C 1.352 177.894 177.300 -1.264 0.000 1.148 -120 P CA 1.335 63.222 63.100 -2.021 0.000 0.803 -120 P CB -0.008 30.855 31.700 -1.395 0.000 0.782 -119 W N 0.085 121.096 121.300 -0.482 0.000 2.364 -119 W HA -0.025 4.635 4.660 0.000 0.000 0.281 -119 W C 1.873 178.296 176.519 -0.159 0.000 1.219 -119 W CA 0.970 58.164 57.345 -0.251 0.000 1.220 -119 W CB -1.926 27.442 29.460 -0.153 0.000 1.127 -119 W HN -0.132 nan 8.180 nan 0.000 0.556 -118 A N 0.082 122.643 122.820 -0.432 0.000 2.119 -118 A HA 0.007 4.327 4.320 0.000 0.000 0.216 -118 A C 1.598 179.189 177.584 0.011 0.000 1.152 -118 A CA 0.918 52.883 52.037 -0.120 0.000 0.708 -118 A CB -1.159 17.733 19.000 -0.180 0.000 0.805 -118 A HN 0.406 nan 8.150 nan 0.000 0.460 -117 W N 0.119 121.329 121.300 -0.150 0.000 2.363 -117 W HA -0.094 4.566 4.660 0.000 0.000 0.296 -117 W C 2.709 179.177 176.519 -0.085 0.000 1.212 -117 W CA 0.635 57.888 57.345 -0.152 0.000 1.260 -117 W CB -1.518 27.951 29.460 0.016 0.000 1.131 -117 W HN 0.382 nan 8.180 nan 0.000 0.530 -116 S N 0.491 116.316 115.700 0.208 0.000 2.359 -116 S HA -0.190 4.280 4.470 0.000 0.000 0.224 -116 S C 1.793 176.448 174.600 0.092 0.000 1.035 -116 S CA 1.707 59.993 58.200 0.144 0.000 1.018 -116 S CB -0.349 62.912 63.200 0.102 0.000 0.876 -116 S HN 0.177 nan 8.310 nan 0.000 0.448 -115 N N 1.352 120.097 118.700 0.075 0.000 2.120 -115 N HA -0.034 4.707 4.740 0.000 0.000 0.188 -115 N C 1.742 177.272 175.510 0.033 0.000 1.024 -115 N CA 1.474 54.560 53.050 0.060 0.000 0.852 -115 N CB -0.567 37.967 38.487 0.079 0.000 1.003 -115 N HN 0.494 nan 8.380 nan 0.000 0.424 -114 I N 1.287 121.839 120.570 -0.029 0.000 2.226 -114 I HA -0.236 3.934 4.170 0.000 0.000 0.245 -114 I C 1.684 177.785 176.117 -0.026 0.000 1.100 -114 I CA 1.045 62.273 61.300 -0.120 0.000 1.374 -114 I CB -0.365 37.309 38.000 -0.542 0.000 1.057 -114 I HN -0.059 nan 8.210 nan 0.000 0.413 -113 D N 0.858 121.295 120.400 0.062 0.000 2.133 -113 D HA -0.198 4.442 4.640 0.000 0.000 0.192 -113 D C 2.251 178.618 176.300 0.113 0.000 1.001 -113 D CA 2.060 56.174 54.000 0.190 0.000 0.844 -113 D CB -0.565 40.344 40.800 0.182 0.000 0.944 -113 D HN 0.297 nan 8.370 nan 0.000 0.447 -112 T N 0.129 114.728 114.554 0.076 0.000 2.746 -112 T HA -0.153 4.197 4.350 0.000 0.000 0.267 -112 T C 2.094 176.819 174.700 0.041 0.000 1.039 -112 T CA 1.852 63.984 62.100 0.053 0.000 1.142 -112 T CB -0.292 68.603 68.868 0.046 0.000 0.866 -112 T HN 0.271 nan 8.240 nan 0.000 0.444 -111 S N 1.091 116.813 115.700 0.036 0.000 2.423 -111 S HA -0.072 4.398 4.470 0.000 0.000 0.231 -111 S C 0.975 175.582 174.600 0.012 0.000 1.014 -111 S CA 0.882 59.092 58.200 0.016 0.000 0.965 -111 S CB -0.446 62.755 63.200 0.002 0.000 0.785 -111 S HN 0.590 nan 8.310 nan 0.000 0.495 -110 K N 0.014 120.437 120.400 0.037 0.000 3.129 -110 K HA -0.103 4.217 4.320 0.000 0.000 0.273 -110 K C -0.687 175.918 176.600 0.007 0.000 1.123 -110 K CA 0.440 56.747 56.287 0.034 0.000 0.800 -110 K CB -2.468 30.044 32.500 0.019 0.000 1.238 -110 K HN 0.364 nan 8.250 nan 0.000 0.492 -109 V N 2.040 121.951 119.914 -0.005 0.000 2.637 -109 V HA 0.006 4.126 4.120 0.000 0.000 0.296 -109 V C 0.861 176.984 176.094 0.048 0.000 1.046 -109 V CA -0.356 61.913 62.300 -0.052 0.000 1.066 -109 V CB 0.984 32.687 31.823 -0.201 0.000 0.968 -109 V HN 0.224 nan 8.190 nan 0.000 0.483 -108 N N 4.924 123.627 118.700 0.005 0.000 2.415 -108 N HA 0.191 4.931 4.740 0.000 0.000 0.250 -108 N C -0.694 174.819 175.510 0.005 0.000 1.127 -108 N CA -0.038 53.012 53.050 -0.001 0.000 0.945 -108 N CB 0.420 38.882 38.487 -0.041 0.000 1.196 -108 N HN 0.701 nan 8.380 nan 0.000 0.499 -107 Y N -0.541 119.688 120.300 -0.118 0.000 2.457 -107 Y HA 0.824 5.374 4.550 0.000 0.000 0.333 -107 Y C 0.337 176.005 175.900 -0.387 0.000 1.119 -107 Y CA -1.394 56.607 58.100 -0.165 0.000 1.143 -107 Y CB 0.941 39.430 38.460 0.049 0.000 1.230 -107 Y HN 0.262 nan 8.280 nan 0.000 0.469 -106 G N 1.226 109.593 108.800 -0.723 0.000 2.537 -106 G HA2 0.626 4.587 3.960 0.000 0.000 0.308 -106 G HA3 0.626 4.587 3.960 0.000 0.000 0.308 -106 G C -1.991 172.587 174.900 -0.537 0.000 1.237 -106 G CA -1.167 43.410 45.100 -0.871 0.000 0.968 -106 G HN 0.703 nan 8.290 nan 0.000 0.481 -105 V N -0.084 119.671 119.914 -0.265 0.000 2.588 -105 V HA 0.823 4.943 4.120 0.000 0.000 0.304 -105 V C 0.111 176.236 176.094 0.053 0.000 1.042 -105 V CA -0.472 61.776 62.300 -0.086 0.000 0.877 -105 V CB 1.601 33.271 31.823 -0.255 0.000 0.996 -105 V HN 0.996 nan 8.190 nan 0.000 0.425 -104 T N 2.235 116.859 114.554 0.117 0.000 2.731 -104 T HA 0.502 4.852 4.350 0.000 0.000 0.300 -104 T C -1.103 173.616 174.700 0.032 0.000 1.283 -104 T CA -0.264 61.882 62.100 0.077 0.000 1.005 -104 T CB 1.954 70.874 68.868 0.085 0.000 1.420 -104 T HN 0.500 nan 8.240 nan 0.000 0.503 -103 V N 2.816 122.731 119.914 0.001 0.000 2.843 -103 V HA 0.384 4.504 4.120 0.000 0.000 0.305 -103 V C 0.389 176.457 176.094 -0.042 0.000 1.065 -103 V CA -0.141 62.153 62.300 -0.010 0.000 1.116 -103 V CB 0.238 32.053 31.823 -0.012 0.000 0.968 -103 V HN 0.722 nan 8.190 nan 0.000 0.487 -102 L N 8.210 129.413 121.223 -0.033 0.000 2.483 -102 L HA 0.241 4.581 4.340 0.000 0.000 0.276 -102 L C -1.778 175.043 176.870 -0.081 0.000 1.213 -102 L CA -1.199 53.601 54.840 -0.067 0.000 0.843 -102 L CB 0.165 42.235 42.059 0.019 0.000 1.107 -102 L HN 0.575 nan 8.230 nan 0.000 0.487 -101 P HA 0.110 nan 4.420 nan 0.000 0.274 -101 P C -0.649 176.702 177.300 0.084 0.000 1.256 -101 P CA -0.519 62.469 63.100 -0.186 0.000 0.795 -101 P CB 0.431 31.855 31.700 -0.460 0.000 1.038 -100 T N -2.041 112.574 114.554 0.103 0.000 2.904 -100 T HA 0.487 4.837 4.350 0.000 0.000 0.290 -100 T C -0.653 174.241 174.700 0.324 0.000 1.018 -100 T CA -0.360 61.842 62.100 0.169 0.000 1.075 -100 T CB 0.155 69.054 68.868 0.051 0.000 0.986 -100 T HN 0.267 nan 8.240 nan 0.000 0.523 -99 F N 2.119 122.088 119.950 0.030 0.000 2.518 -99 F HA 0.462 4.989 4.527 0.000 0.000 0.323 -99 F C 0.575 176.299 175.800 -0.126 0.000 1.129 -99 F CA -1.380 56.545 58.000 -0.125 0.000 0.920 -99 F CB 1.342 40.135 39.000 -0.345 0.000 1.160 -99 F HN 0.878 nan 8.300 nan 0.000 0.440 -98 K N 4.402 124.344 120.400 -0.763 0.000 3.012 -98 K HA -0.227 4.093 4.320 0.000 0.000 0.259 -98 K C 0.919 177.365 176.600 -0.257 0.000 0.989 -98 K CA 0.860 56.817 56.287 -0.550 0.000 0.728 -98 K CB -1.884 30.209 32.500 -0.678 0.000 1.260 -98 K HN 1.405 nan 8.250 nan 0.000 0.480 -97 G N -0.480 108.227 108.800 -0.155 0.000 2.162 -97 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 -97 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 -97 G C -0.159 174.708 174.900 -0.056 0.000 0.976 -97 G CA 0.495 45.545 45.100 -0.084 0.000 0.655 -97 G HN 0.330 nan 8.290 nan 0.000 0.533 -96 Q N 0.650 120.419 119.800 -0.053 0.000 2.293 -96 Q HA 0.424 4.764 4.340 0.000 0.000 0.261 -96 Q C -2.374 173.636 176.000 0.016 0.000 0.960 -96 Q CA -2.101 53.687 55.803 -0.025 0.000 0.882 -96 Q CB 2.131 30.847 28.738 -0.036 0.000 1.275 -96 Q HN 0.246 nan 8.270 nan 0.000 0.445 -95 P HA -0.037 nan 4.420 nan 0.000 0.265 -95 P C -0.193 177.129 177.300 0.037 0.000 1.187 -95 P CA 0.263 63.379 63.100 0.027 0.000 0.766 -95 P CB 0.577 32.282 31.700 0.008 0.000 0.820 -94 S N 2.267 118.013 115.700 0.077 0.000 2.566 -94 S HA 0.024 4.494 4.470 0.000 0.000 0.280 -94 S C 0.605 175.207 174.600 0.004 0.000 1.343 -94 S CA 0.179 58.416 58.200 0.062 0.000 1.036 -94 S CB -0.052 63.242 63.200 0.157 0.000 0.866 -94 S HN 0.327 nan 8.310 nan 0.000 0.526 -93 K N 2.608 122.975 120.400 -0.054 0.000 2.842 -93 K HA 0.250 4.570 4.320 0.000 0.000 0.176 -93 K C -2.733 173.855 176.600 -0.020 0.000 1.080 -93 K CA -1.507 54.749 56.287 -0.052 0.000 0.954 -93 K CB 1.319 33.750 32.500 -0.114 0.000 1.203 -93 K HN 0.397 nan 8.250 nan 0.000 0.611 -92 P HA 0.054 nan 4.420 nan 0.000 0.275 -92 P C -0.469 177.016 177.300 0.309 0.000 1.227 -92 P CA -0.354 62.826 63.100 0.133 0.000 0.781 -92 P CB 0.514 32.246 31.700 0.054 0.000 0.906 -91 F N 2.158 122.334 119.950 0.376 0.000 2.506 -91 F HA 0.069 4.596 4.527 0.000 0.000 0.371 -91 F C 0.564 176.572 175.800 0.347 0.000 1.078 -91 F CA -0.543 57.698 58.000 0.402 0.000 1.195 -91 F CB 0.170 39.478 39.000 0.513 0.000 1.099 -91 F HN -0.011 nan 8.300 nan 0.000 0.548 -90 V N 4.485 124.724 119.914 0.541 0.000 2.465 -90 V HA 0.569 4.690 4.120 0.000 0.000 0.279 -90 V C 0.610 176.964 176.094 0.435 0.000 1.045 -90 V CA -0.623 61.920 62.300 0.406 0.000 0.938 -90 V CB 1.078 33.078 31.823 0.296 0.000 0.986 -90 V HN 0.850 nan 8.190 nan 0.000 0.467 -89 G N 3.042 112.080 108.800 0.397 0.000 2.400 -89 G HA2 0.581 4.542 3.960 0.000 0.000 0.333 -89 G HA3 0.581 4.542 3.960 0.000 0.000 0.333 -89 G C -1.046 174.037 174.900 0.305 0.000 1.143 -89 G CA -0.481 44.844 45.100 0.377 0.000 0.914 -89 G HN 0.550 nan 8.290 nan 0.000 0.480 -88 V N 3.147 123.278 119.914 0.362 0.000 2.311 -88 V HA 0.198 4.319 4.120 0.000 0.000 0.275 -88 V C 0.184 176.319 176.094 0.069 0.000 1.022 -88 V CA -0.777 61.574 62.300 0.085 0.000 0.830 -88 V CB 0.952 32.672 31.823 -0.172 0.000 1.012 -88 V HN 0.690 nan 8.190 nan 0.000 0.452 -87 L N 5.848 127.085 121.223 0.023 0.000 2.513 -87 L HA 0.320 4.660 4.340 0.000 0.000 0.272 -87 L C 0.351 177.213 176.870 -0.013 0.000 1.187 -87 L CA 1.349 56.191 54.840 0.004 0.000 0.895 -87 L CB 0.447 42.518 42.059 0.019 0.000 1.147 -87 L HN 0.754 nan 8.230 nan 0.000 0.483 -86 S N 3.130 118.790 115.700 -0.068 0.000 2.595 -86 S HA 0.896 5.366 4.470 0.000 0.000 0.281 -86 S C -0.942 173.464 174.600 -0.324 0.000 1.117 -86 S CA -0.355 57.682 58.200 -0.272 0.000 0.873 -86 S CB 1.847 64.693 63.200 -0.591 0.000 1.108 -86 S HN 0.901 nan 8.310 nan 0.000 0.477 -85 A N 1.141 123.728 122.820 -0.388 0.000 2.310 -85 A HA 0.777 5.097 4.320 0.000 0.000 0.304 -85 A C 0.176 177.676 177.584 -0.140 0.000 1.231 -85 A CA -0.560 51.135 52.037 -0.570 0.000 0.799 -85 A CB 0.396 18.831 19.000 -0.941 0.000 1.162 -85 A HN 0.917 nan 8.150 nan 0.000 0.486 -84 G N 1.125 109.979 108.800 0.091 0.000 2.410 -84 G HA2 0.589 4.549 3.960 0.000 0.000 0.330 -84 G HA3 0.589 4.549 3.960 0.000 0.000 0.330 -84 G C -0.546 174.387 174.900 0.056 0.000 1.142 -84 G CA -0.616 44.630 45.100 0.244 0.000 0.902 -84 G HN 0.675 nan 8.290 nan 0.000 0.491 -83 I N 1.534 122.155 120.570 0.084 0.000 2.354 -83 I HA 0.139 4.309 4.170 0.000 0.000 0.292 -83 I C -0.070 176.078 176.117 0.052 0.000 0.989 -83 I CA -0.968 60.359 61.300 0.046 0.000 1.188 -83 I CB 1.678 39.723 38.000 0.075 0.000 1.342 -83 I HN 0.342 nan 8.210 nan 0.000 0.457 -82 N N 4.666 123.385 118.700 0.033 0.000 2.447 -82 N HA 0.056 4.796 4.740 0.000 0.000 0.263 -82 N C 0.861 176.391 175.510 0.034 0.000 1.226 -82 N CA 0.297 53.396 53.050 0.080 0.000 0.906 -82 N CB 1.582 40.096 38.487 0.044 0.000 1.060 -82 N HN 0.788 nan 8.380 nan 0.000 0.468 -81 A N 3.982 126.823 122.820 0.035 0.000 2.024 -81 A HA -0.086 4.235 4.320 0.000 0.000 0.220 -81 A C 1.754 179.330 177.584 -0.014 0.000 1.164 -81 A CA 1.829 53.873 52.037 0.013 0.000 0.643 -81 A CB -0.483 18.524 19.000 0.012 0.000 0.806 -81 A HN 0.755 nan 8.150 nan 0.000 0.451 -80 A N -0.697 122.100 122.820 -0.038 0.000 2.251 -80 A HA 0.378 4.698 4.320 0.000 0.000 0.209 -80 A C 1.246 178.800 177.584 -0.049 0.000 1.187 -80 A CA 0.634 52.639 52.037 -0.052 0.000 0.823 -80 A CB -0.489 18.463 19.000 -0.080 0.000 0.846 -80 A HN 0.436 nan 8.150 nan 0.000 0.486 -79 S N 1.302 116.979 115.700 -0.040 0.000 2.533 -79 S HA 0.293 4.763 4.470 0.000 0.000 0.282 -79 S C -1.542 173.043 174.600 -0.026 0.000 1.304 -79 S CA -0.960 57.217 58.200 -0.040 0.000 1.063 -79 S CB 0.715 63.893 63.200 -0.037 0.000 0.881 -79 S HN 0.292 nan 8.310 nan 0.000 0.493 -78 P HA 0.218 nan 4.420 nan 0.000 0.256 -78 P C -0.390 176.905 177.300 -0.008 0.000 1.384 -78 P CA 0.046 63.136 63.100 -0.016 0.000 0.879 -78 P CB -0.078 31.611 31.700 -0.018 0.000 1.403 -77 N N 0.120 118.815 118.700 -0.010 0.000 2.351 -77 N HA 0.116 4.856 4.740 0.000 0.000 0.254 -77 N C 1.000 176.515 175.510 0.008 0.000 1.241 -77 N CA -0.207 52.842 53.050 -0.001 0.000 0.883 -77 N CB 0.543 39.021 38.487 -0.015 0.000 1.202 -77 N HN 0.176 nan 8.380 nan 0.000 0.512 -76 K N 0.756 121.164 120.400 0.012 0.000 2.103 -76 K HA -0.074 4.246 4.320 0.000 0.000 0.207 -76 K C 1.237 177.860 176.600 0.038 0.000 1.048 -76 K CA 0.954 57.255 56.287 0.025 0.000 0.930 -76 K CB 0.298 32.814 32.500 0.027 0.000 0.716 -76 K HN 0.133 nan 8.250 nan 0.000 0.444 -75 E N 0.937 121.161 120.200 0.040 0.000 2.158 -75 E HA -0.070 4.281 4.350 0.000 0.000 0.191 -75 E C 2.139 178.784 176.600 0.075 0.000 0.982 -75 E CA 0.590 57.021 56.400 0.052 0.000 0.823 -75 E CB -0.053 29.675 29.700 0.048 0.000 0.766 -75 E HN 0.299 nan 8.360 nan 0.000 0.468 -74 L N 0.584 121.858 121.223 0.085 0.000 2.042 -74 L HA -0.197 4.143 4.340 0.000 0.000 0.210 -74 L C 2.522 179.417 176.870 0.042 0.000 1.076 -74 L CA 1.284 56.205 54.840 0.136 0.000 0.749 -74 L CB -0.471 41.665 42.059 0.129 0.000 0.893 -74 L HN 0.077 nan 8.230 nan 0.000 0.432 -73 A N -0.067 122.754 122.820 0.001 0.000 1.898 -73 A HA -0.252 4.069 4.320 0.000 0.000 0.216 -73 A C 2.377 179.955 177.584 -0.011 0.000 1.181 -73 A CA 1.907 53.932 52.037 -0.021 0.000 0.620 -73 A CB -0.433 18.562 19.000 -0.008 0.000 0.819 -73 A HN 0.352 nan 8.150 nan 0.000 0.442 -72 K N -0.202 120.202 120.400 0.008 0.000 2.057 -72 K HA -0.209 4.111 4.320 0.000 0.000 0.207 -72 K C 2.062 178.608 176.600 -0.090 0.000 1.049 -72 K CA 1.720 57.987 56.287 -0.033 0.000 0.931 -72 K CB -0.208 32.318 32.500 0.043 0.000 0.714 -72 K HN 0.599 nan 8.250 nan 0.000 0.440 -71 E N -0.297 119.916 120.200 0.021 0.000 2.051 -71 E HA -0.206 4.144 4.350 0.000 0.000 0.192 -71 E C 1.904 178.561 176.600 0.094 0.000 0.991 -71 E CA 1.177 57.644 56.400 0.112 0.000 0.799 -71 E CB -0.196 29.670 29.700 0.277 0.000 0.748 -71 E HN 0.396 nan 8.360 nan 0.000 0.449 -70 F N 1.238 121.014 119.950 -0.290 0.000 2.069 -70 F HA -0.217 4.311 4.527 0.000 0.000 0.298 -70 F C 2.015 177.688 175.800 -0.212 0.000 1.113 -70 F CA 1.471 59.144 58.000 -0.546 0.000 1.214 -70 F CB -0.166 38.279 39.000 -0.924 0.000 0.978 -70 F HN -0.022 nan 8.300 nan 0.000 0.474 -69 L N 0.113 121.144 121.223 -0.321 0.000 1.994 -69 L HA -0.213 4.127 4.340 0.000 0.000 0.208 -69 L C 2.442 179.037 176.870 -0.458 0.000 1.071 -69 L CA 1.901 56.462 54.840 -0.467 0.000 0.745 -69 L CB -0.845 40.848 42.059 -0.610 0.000 0.892 -69 L HN 0.193 nan 8.230 nan 0.000 0.431 -68 E N -0.189 119.719 120.200 -0.487 0.000 2.072 -68 E HA -0.124 4.226 4.350 0.000 0.000 0.190 -68 E C 1.543 178.116 176.600 -0.044 0.000 0.982 -68 E CA 0.965 57.121 56.400 -0.407 0.000 0.803 -68 E CB 0.033 29.299 29.700 -0.724 0.000 0.755 -68 E HN 0.463 nan 8.360 nan 0.000 0.453 -67 N N -1.066 117.620 118.700 -0.025 0.000 2.282 -67 N HA 0.029 4.770 4.740 0.000 0.000 0.185 -67 N C 0.637 176.081 175.510 -0.110 0.000 1.099 -67 N CA 0.544 53.607 53.050 0.021 0.000 0.878 -67 N CB 0.412 38.964 38.487 0.109 0.000 0.993 -67 N HN 0.173 nan 8.380 nan 0.000 0.481 -66 Y N -0.206 119.982 120.300 -0.187 0.000 2.697 -66 Y HA 0.218 4.769 4.550 0.000 0.000 0.268 -66 Y C 1.818 177.513 175.900 -0.343 0.000 1.092 -66 Y CA -0.199 57.761 58.100 -0.232 0.000 1.304 -66 Y CB -0.443 37.880 38.460 -0.229 0.000 1.446 -66 Y HN -0.143 nan 8.280 nan 0.000 0.491 -65 L N 0.293 121.263 121.223 -0.423 0.000 2.005 -65 L HA 0.011 4.351 4.340 0.000 0.000 0.207 -65 L C 0.875 177.650 176.870 -0.160 0.000 1.072 -65 L CA 1.831 56.474 54.840 -0.328 0.000 0.744 -65 L CB -0.695 41.134 42.059 -0.384 0.000 0.895 -65 L HN 0.144 nan 8.230 nan 0.000 0.433 -64 L N 1.245 122.405 121.223 -0.106 0.000 2.672 -64 L HA 0.167 4.508 4.340 0.000 0.000 0.238 -64 L C -0.050 176.809 176.870 -0.019 0.000 1.392 -64 L CA -0.088 54.749 54.840 -0.005 0.000 1.238 -64 L CB -1.246 40.908 42.059 0.159 0.000 1.548 -64 L HN 0.409 nan 8.230 nan 0.000 0.423 -63 T N -6.555 107.945 114.554 -0.090 0.000 2.901 -63 T HA 0.287 4.637 4.350 0.000 0.000 0.293 -63 T C 0.650 175.247 174.700 -0.172 0.000 1.084 -63 T CA -0.897 61.141 62.100 -0.105 0.000 1.008 -63 T CB 1.961 70.755 68.868 -0.124 0.000 1.170 -63 T HN -0.036 nan 8.240 nan 0.000 0.509 -62 D N 0.769 121.079 120.400 -0.150 0.000 2.133 -62 D HA -0.110 4.530 4.640 0.000 0.000 0.195 -62 D C 1.703 177.787 176.300 -0.360 0.000 0.997 -62 D CA 1.603 55.459 54.000 -0.240 0.000 0.840 -62 D CB -0.056 40.715 40.800 -0.047 0.000 0.947 -62 D HN 0.735 nan 8.370 nan 0.000 0.452 -61 E N 0.006 120.082 120.200 -0.206 0.000 2.107 -61 E HA -0.001 4.349 4.350 0.000 0.000 0.191 -61 E C 2.176 178.674 176.600 -0.170 0.000 0.982 -61 E CA 1.077 57.380 56.400 -0.161 0.000 0.809 -61 E CB -0.481 29.161 29.700 -0.098 0.000 0.756 -61 E HN 0.321 nan 8.360 nan 0.000 0.459 -60 G N 0.493 109.187 108.800 -0.176 0.000 2.394 -60 G HA2 -0.175 3.785 3.960 0.000 0.000 0.214 -60 G HA3 -0.175 3.785 3.960 0.000 0.000 0.214 -60 G C 1.512 176.309 174.900 -0.172 0.000 1.176 -60 G CA 0.321 45.339 45.100 -0.137 0.000 0.786 -60 G HN 0.125 nan 8.290 nan 0.000 0.533 -59 L N 0.236 121.292 121.223 -0.277 0.000 2.083 -59 L HA -0.052 4.288 4.340 0.000 0.000 0.209 -59 L C 2.745 179.400 176.870 -0.359 0.000 1.083 -59 L CA 1.412 56.070 54.840 -0.303 0.000 0.752 -59 L CB -0.363 41.484 42.059 -0.353 0.000 0.899 -59 L HN 0.365 nan 8.230 nan 0.000 0.433 -58 E N 0.472 120.330 120.200 -0.570 0.000 2.077 -58 E HA -0.252 4.098 4.350 0.000 0.000 0.193 -58 E C 2.220 178.784 176.600 -0.059 0.000 0.989 -58 E CA 1.217 57.471 56.400 -0.244 0.000 0.800 -58 E CB 0.037 29.627 29.700 -0.183 0.000 0.746 -58 E HN 0.462 nan 8.360 nan 0.000 0.452 -57 A N 0.425 123.198 122.820 -0.078 0.000 1.902 -57 A HA -0.151 4.170 4.320 0.000 0.000 0.217 -57 A C 2.387 179.963 177.584 -0.014 0.000 1.181 -57 A CA 1.566 53.588 52.037 -0.024 0.000 0.623 -57 A CB -0.641 18.351 19.000 -0.013 0.000 0.818 -57 A HN 0.227 nan 8.150 nan 0.000 0.443 -56 V N 0.502 120.401 119.914 -0.025 0.000 2.307 -56 V HA -0.234 3.886 4.120 0.000 0.000 0.245 -56 V C 2.391 178.492 176.094 0.012 0.000 1.045 -56 V CA 2.271 64.560 62.300 -0.018 0.000 1.024 -56 V CB -1.108 30.699 31.823 -0.027 0.000 0.651 -56 V HN 0.711 nan 8.190 nan 0.000 0.449 -55 N N 0.213 118.946 118.700 0.055 0.000 2.166 -55 N HA -0.171 4.569 4.740 0.000 0.000 0.186 -55 N C 1.801 177.369 175.510 0.097 0.000 1.019 -55 N CA 1.324 54.442 53.050 0.114 0.000 0.856 -55 N CB -0.160 38.471 38.487 0.240 0.000 0.993 -55 N HN 0.381 nan 8.380 nan 0.000 0.426 -54 K N -0.265 120.182 120.400 0.077 0.000 2.147 -54 K HA -0.139 4.181 4.320 0.000 0.000 0.205 -54 K C 1.147 177.769 176.600 0.038 0.000 1.049 -54 K CA 1.174 57.500 56.287 0.065 0.000 0.936 -54 K CB -0.111 32.419 32.500 0.049 0.000 0.722 -54 K HN 0.316 nan 8.250 nan 0.000 0.446 -53 D N 0.702 121.106 120.400 0.006 0.000 2.087 -53 D HA -0.032 4.608 4.640 0.000 0.000 0.201 -53 D C -0.076 176.216 176.300 -0.014 0.000 0.980 -53 D CA 1.335 55.314 54.000 -0.035 0.000 0.849 -53 D CB 0.400 41.142 40.800 -0.097 0.000 1.001 -53 D HN -0.093 nan 8.370 nan 0.000 0.452 -52 K N 0.133 120.531 120.400 -0.004 0.000 2.507 -52 K HA 0.405 4.725 4.320 0.000 0.000 0.251 -52 K C -2.665 173.960 176.600 0.042 0.000 0.943 -52 K CA -1.962 54.344 56.287 0.032 0.000 0.794 -52 K CB 2.577 35.099 32.500 0.038 0.000 1.188 -52 K HN -0.033 nan 8.250 nan 0.000 0.428 -51 P HA 0.004 nan 4.420 nan 0.000 0.265 -51 P C 0.181 177.449 177.300 -0.054 0.000 1.193 -51 P CA 0.127 63.228 63.100 0.002 0.000 0.765 -51 P CB 0.561 32.244 31.700 -0.029 0.000 0.823 -50 L N 1.844 123.073 121.223 0.010 0.000 2.446 -50 L HA 0.128 4.468 4.340 0.000 0.000 0.219 -50 L C 1.921 178.782 176.870 -0.015 0.000 1.116 -50 L CA 1.111 55.973 54.840 0.036 0.000 0.844 -50 L CB -0.711 41.406 42.059 0.096 0.000 0.970 -50 L HN 0.743 nan 8.230 nan 0.000 0.457 -49 G N 0.364 109.110 108.800 -0.091 0.000 4.886 -49 G HA2 -0.329 3.631 3.960 0.000 0.000 0.305 -49 G HA3 -0.329 3.631 3.960 0.000 0.000 0.305 -49 G C 0.217 175.144 174.900 0.045 0.000 1.483 -49 G CA 0.065 45.119 45.100 -0.076 0.000 1.029 -49 G HN 0.597 nan 8.290 nan 0.000 0.746 -48 A N -0.259 122.595 122.820 0.056 0.000 2.413 -48 A HA 0.975 5.295 4.320 0.000 0.000 0.307 -48 A C -0.052 177.586 177.584 0.089 0.000 1.087 -48 A CA 0.375 52.454 52.037 0.070 0.000 0.750 -48 A CB 2.024 21.068 19.000 0.075 0.000 1.296 -48 A HN 2.223 nan 8.150 nan 0.000 0.423 -47 V N -1.333 118.647 119.914 0.110 0.000 2.960 -47 V HA 0.835 4.956 4.120 0.000 0.000 0.315 -47 V C 0.817 176.995 176.094 0.140 0.000 1.087 -47 V CA 0.014 62.391 62.300 0.128 0.000 0.982 -47 V CB 1.347 33.288 31.823 0.198 0.000 1.039 -47 V HN 1.639 nan 8.190 nan 0.000 0.437 -46 A N 2.443 125.289 122.820 0.042 0.000 1.968 -46 A HA 0.182 4.502 4.320 0.000 0.000 0.217 -46 A C 1.140 178.696 177.584 -0.046 0.000 1.169 -46 A CA 1.034 53.047 52.037 -0.039 0.000 0.638 -46 A CB -0.501 18.348 19.000 -0.252 0.000 0.812 -46 A HN 1.103 nan 8.150 nan 0.000 0.446 -45 L N 0.887 122.088 121.223 -0.036 0.000 2.369 -45 L HA 0.169 4.509 4.340 0.000 0.000 0.279 -45 L C 1.057 177.875 176.870 -0.088 0.000 1.108 -45 L CA 0.128 54.907 54.840 -0.101 0.000 0.852 -45 L CB 0.387 42.426 42.059 -0.033 0.000 1.169 -45 L HN 0.278 nan 8.230 nan 0.000 0.452 -44 K N 1.664 121.873 120.400 -0.318 0.000 2.020 -44 K HA -0.208 4.112 4.320 0.000 0.000 0.212 -44 K C 2.022 178.579 176.600 -0.072 0.000 1.050 -44 K CA 1.963 58.036 56.287 -0.356 0.000 0.929 -44 K CB -0.291 31.938 32.500 -0.451 0.000 0.714 -44 K HN 0.902 nan 8.250 nan 0.000 0.443 -43 S N 0.359 116.030 115.700 -0.048 0.000 2.383 -43 S HA -0.233 4.237 4.470 0.000 0.000 0.229 -43 S C 2.080 176.744 174.600 0.108 0.000 1.030 -43 S CA 1.217 59.430 58.200 0.022 0.000 1.002 -43 S CB -0.602 62.606 63.200 0.012 0.000 0.829 -43 S HN 0.370 nan 8.310 nan 0.000 0.467 -42 Y N 2.274 122.567 120.300 -0.012 0.000 2.314 -42 Y HA 0.166 4.716 4.550 0.000 0.000 0.294 -42 Y C 2.447 178.378 175.900 0.052 0.000 1.119 -42 Y CA 1.245 59.355 58.100 0.016 0.000 1.179 -42 Y CB -0.535 37.930 38.460 0.008 0.000 1.025 -42 Y HN 0.306 nan 8.280 nan 0.000 0.541 -41 E N 0.894 121.123 120.200 0.050 0.000 2.160 -41 E HA -0.209 4.141 4.350 0.000 0.000 0.195 -41 E C 1.783 178.388 176.600 0.008 0.000 0.991 -41 E CA 1.852 58.275 56.400 0.037 0.000 0.810 -41 E CB -0.208 29.654 29.700 0.270 0.000 0.742 -41 E HN 0.628 nan 8.360 nan 0.000 0.466 -40 E N -0.020 120.200 120.200 0.033 0.000 2.110 -40 E HA -0.194 4.156 4.350 0.000 0.000 0.193 -40 E C 1.995 178.579 176.600 -0.028 0.000 0.988 -40 E CA 1.292 57.706 56.400 0.023 0.000 0.804 -40 E CB -0.080 29.643 29.700 0.037 0.000 0.745 -40 E HN 0.466 nan 8.360 nan 0.000 0.458 -39 E N 0.743 120.895 120.200 -0.081 0.000 2.046 -39 E HA -0.124 4.226 4.350 0.000 0.000 0.190 -39 E C 2.220 178.725 176.600 -0.159 0.000 0.982 -39 E CA 0.679 57.012 56.400 -0.112 0.000 0.800 -39 E CB -0.054 29.573 29.700 -0.121 0.000 0.756 -39 E HN 0.206 nan 8.360 nan 0.000 0.449 -38 L N 0.764 121.821 121.223 -0.277 0.000 2.131 -38 L HA -0.127 4.213 4.340 0.000 0.000 0.210 -38 L C 2.500 179.326 176.870 -0.073 0.000 1.092 -38 L CA 0.722 55.437 54.840 -0.208 0.000 0.759 -38 L CB -0.473 41.419 42.059 -0.278 0.000 0.903 -38 L HN 0.162 nan 8.230 nan 0.000 0.435 -37 A N 0.183 122.973 122.820 -0.050 0.000 2.186 -37 A HA -0.195 4.125 4.320 0.000 0.000 0.219 -37 A C 2.156 179.733 177.584 -0.012 0.000 1.159 -37 A CA 1.338 53.367 52.037 -0.013 0.000 0.680 -37 A CB -0.325 18.676 19.000 0.001 0.000 0.787 -37 A HN 0.395 nan 8.150 nan 0.000 0.467 -36 K N -0.013 120.374 120.400 -0.021 0.000 2.366 -36 K HA -0.030 4.290 4.320 0.000 0.000 0.198 -36 K C 0.154 176.742 176.600 -0.020 0.000 1.044 -36 K CA 0.355 56.630 56.287 -0.019 0.000 0.973 -36 K CB 0.009 32.497 32.500 -0.020 0.000 0.767 -36 K HN 0.347 nan 8.250 nan 0.000 0.475 -35 D N 1.433 121.825 120.400 -0.014 0.000 2.401 -35 D HA 0.010 4.650 4.640 0.000 0.000 0.254 -35 D C -1.831 174.452 176.300 -0.027 0.000 1.192 -35 D CA -1.933 52.060 54.000 -0.012 0.000 0.885 -35 D CB 1.375 42.196 40.800 0.034 0.000 1.147 -35 D HN -0.113 nan 8.370 nan 0.000 0.478 -34 P HA -0.082 nan 4.420 nan 0.000 0.216 -34 P C 1.210 178.449 177.300 -0.102 0.000 1.153 -34 P CA 1.055 64.108 63.100 -0.079 0.000 0.848 -34 P CB 0.271 31.908 31.700 -0.105 0.000 0.787 -33 R N -0.868 119.516 120.500 -0.194 0.000 2.105 -33 R HA -0.051 4.289 4.340 0.000 0.000 0.239 -33 R C 1.361 177.645 176.300 -0.026 0.000 1.135 -33 R CA 0.741 56.649 56.100 -0.321 0.000 0.967 -33 R CB -0.894 28.889 30.300 -0.861 0.000 0.861 -33 R HN 0.261 nan 8.270 nan 0.000 0.442 -21 E N 2.078 122.426 120.200 0.247 0.000 2.212 -21 E HA 0.381 4.732 4.350 0.000 0.000 0.268 -21 E C 0.288 177.132 176.600 0.407 0.000 0.902 -21 E CA -1.053 55.526 56.400 0.298 0.000 0.779 -21 E CB 2.263 32.177 29.700 0.357 0.000 1.172 -21 E HN 0.349 nan 8.360 nan 0.000 0.409 -20 I N 3.190 123.936 120.570 0.294 0.000 2.668 -20 I HA -0.043 4.127 4.170 0.000 0.000 0.285 -20 I C 0.861 177.173 176.117 0.325 0.000 1.168 -20 I CA 0.637 62.123 61.300 0.311 0.000 1.424 -20 I CB -0.293 37.844 38.000 0.228 0.000 1.377 -20 I HN 0.565 nan 8.210 nan 0.000 0.560 -19 M N 8.027 127.762 119.600 0.226 0.000 2.252 -19 M HA 0.118 4.598 4.480 0.000 0.000 0.333 -19 M C -1.982 174.307 176.300 -0.018 0.000 1.111 -19 M CA -1.070 54.074 55.300 -0.261 0.000 1.140 -19 M CB -0.158 32.151 32.600 -0.485 0.000 1.538 -19 M HN 0.302 nan 8.290 nan 0.000 0.448 -18 P HA 0.045 nan 4.420 nan 0.000 0.271 -18 P C -0.502 176.715 177.300 -0.139 0.000 1.233 -18 P CA -0.054 62.853 63.100 -0.322 0.000 0.789 -18 P CB 0.296 31.501 31.700 -0.826 0.000 0.951 -17 N N 0.589 119.304 118.700 0.025 0.000 2.203 -17 N HA 0.045 4.786 4.740 0.000 0.000 0.207 -17 N C 0.498 176.003 175.510 -0.009 0.000 1.130 -17 N CA -0.282 52.797 53.050 0.048 0.000 0.861 -17 N CB -0.894 37.725 38.487 0.220 0.000 1.005 -17 N HN 0.419 nan 8.380 nan 0.000 0.507 -16 I N -2.659 117.892 120.570 -0.030 0.000 2.892 -16 I HA 0.205 4.375 4.170 0.000 0.000 0.287 -16 I C -1.559 174.507 176.117 -0.085 0.000 1.205 -16 I CA -1.432 59.863 61.300 -0.009 0.000 1.409 -16 I CB 0.452 38.405 38.000 -0.078 0.000 1.367 -16 I HN -0.261 nan 8.210 nan 0.000 0.597 -15 P HA -0.146 nan 4.420 nan 0.000 0.221 -15 P C 0.953 178.209 177.300 -0.074 0.000 1.145 -15 P CA 1.331 64.371 63.100 -0.101 0.000 0.795 -15 P CB 0.046 31.709 31.700 -0.062 0.000 0.775 -14 Q N -1.967 117.776 119.800 -0.095 0.000 2.472 -14 Q HA 0.046 4.387 4.340 0.000 0.000 0.208 -14 Q C 1.824 177.911 176.000 0.145 0.000 0.958 -14 Q CA 0.788 56.566 55.803 -0.042 0.000 0.932 -14 Q CB -0.718 27.871 28.738 -0.249 0.000 1.007 -14 Q HN 0.212 nan 8.270 nan 0.000 0.508 -13 M N -0.228 119.430 119.600 0.097 0.000 2.213 -13 M HA -0.135 4.345 4.480 0.000 0.000 0.263 -13 M C 2.015 178.484 176.300 0.282 0.000 1.062 -13 M CA 1.736 57.138 55.300 0.170 0.000 1.105 -13 M CB -1.102 31.532 32.600 0.056 0.000 1.385 -13 M HN 0.336 nan 8.290 nan 0.000 0.417 -12 S N 0.348 116.168 115.700 0.200 0.000 2.387 -12 S HA 0.007 4.477 4.470 0.000 0.000 0.226 -12 S C 2.147 176.883 174.600 0.226 0.000 1.026 -12 S CA 0.978 59.307 58.200 0.216 0.000 0.972 -12 S CB -0.630 62.608 63.200 0.063 0.000 0.814 -12 S HN 0.415 nan 8.310 nan 0.000 0.477 -11 A N 1.768 124.696 122.820 0.181 0.000 1.883 -11 A HA 0.013 4.333 4.320 0.000 0.000 0.217 -11 A C 1.977 179.731 177.584 0.284 0.000 1.186 -11 A CA 1.616 53.779 52.037 0.211 0.000 0.624 -11 A CB -1.255 17.849 19.000 0.173 0.000 0.822 -11 A HN 0.619 nan 8.150 nan 0.000 0.444 -10 F N -0.811 119.206 119.950 0.111 0.000 2.069 -10 F HA -0.232 4.295 4.527 0.000 0.000 0.298 -10 F C 2.071 177.811 175.800 -0.100 0.000 1.113 -10 F CA 1.966 59.903 58.000 -0.104 0.000 1.214 -10 F CB -0.635 38.143 39.000 -0.370 0.000 0.978 -10 F HN 0.399 nan 8.300 nan 0.000 0.474 -9 W N -1.078 120.170 121.300 -0.087 0.000 2.358 -9 W HA -0.224 4.436 4.660 0.000 0.000 0.303 -9 W C 2.521 178.975 176.519 -0.109 0.000 1.208 -9 W CA 1.334 58.553 57.345 -0.210 0.000 1.274 -9 W CB -0.910 28.573 29.460 0.039 0.000 1.138 -9 W HN 0.257 nan 8.180 nan 0.000 0.515 -8 Y N 1.171 121.549 120.300 0.130 0.000 2.181 -8 Y HA -0.245 4.305 4.550 0.000 0.000 0.288 -8 Y C 2.294 178.202 175.900 0.012 0.000 1.146 -8 Y CA 2.138 60.281 58.100 0.071 0.000 1.164 -8 Y CB -0.887 37.614 38.460 0.069 0.000 0.982 -8 Y HN -0.093 nan 8.280 nan 0.000 0.515 -7 A N -0.079 122.723 122.820 -0.029 0.000 1.865 -7 A HA -0.211 4.109 4.320 0.000 0.000 0.217 -7 A C 2.307 179.775 177.584 -0.193 0.000 1.191 -7 A CA 2.593 54.545 52.037 -0.141 0.000 0.623 -7 A CB -1.431 17.542 19.000 -0.045 0.000 0.826 -7 A HN 0.365 nan 8.150 nan 0.000 0.444 -6 V N 0.095 119.850 119.914 -0.264 0.000 2.358 -6 V HA -0.254 3.866 4.120 0.000 0.000 0.246 -6 V C 2.613 178.691 176.094 -0.027 0.000 1.047 -6 V CA 2.240 64.438 62.300 -0.170 0.000 1.035 -6 V CB -0.943 30.695 31.823 -0.308 0.000 0.658 -6 V HN 0.679 nan 8.190 nan 0.000 0.452 -5 R N 0.273 120.774 120.500 0.001 0.000 2.097 -5 R HA -0.218 4.122 4.340 0.000 0.000 0.236 -5 R C 2.401 178.680 176.300 -0.036 0.000 1.135 -5 R CA 2.511 58.633 56.100 0.037 0.000 0.934 -5 R CB -0.744 29.588 30.300 0.053 0.000 0.846 -5 R HN 0.529 nan 8.270 nan 0.000 0.431 -4 T N 0.685 115.147 114.554 -0.153 0.000 2.684 -4 T HA -0.178 4.172 4.350 0.000 0.000 0.267 -4 T C 1.842 176.488 174.700 -0.090 0.000 1.036 -4 T CA 1.556 63.554 62.100 -0.171 0.000 1.148 -4 T CB -0.421 68.252 68.868 -0.325 0.000 0.863 -4 T HN 0.526 nan 8.240 nan 0.000 0.436 -3 A N 0.898 123.672 122.820 -0.076 0.000 1.877 -3 A HA -0.049 4.271 4.320 0.000 0.000 0.216 -3 A C 2.623 180.204 177.584 -0.005 0.000 1.186 -3 A CA 1.475 53.491 52.037 -0.034 0.000 0.620 -3 A CB -1.058 17.927 19.000 -0.024 0.000 0.822 -3 A HN 0.349 nan 8.150 nan 0.000 0.443 -2 V N 0.339 120.264 119.914 0.018 0.000 2.261 -2 V HA -0.287 3.833 4.120 0.000 0.000 0.246 -2 V C 2.452 178.560 176.094 0.023 0.000 1.047 -2 V CA 2.140 64.465 62.300 0.042 0.000 1.015 -2 V CB -0.725 31.156 31.823 0.096 0.000 0.642 -2 V HN 0.578 nan 8.190 nan 0.000 0.446 -1 I N 0.504 121.084 120.570 0.016 0.000 2.208 -1 I HA -0.257 3.913 4.170 0.000 0.000 0.245 -1 I C 2.350 178.464 176.117 -0.005 0.000 1.097 -1 I CA 1.634 62.938 61.300 0.006 0.000 1.363 -1 I CB -0.552 37.450 38.000 0.004 0.000 1.051 -1 I HN 0.370 nan 8.210 nan 0.000 0.413 0 N N 1.044 119.737 118.700 -0.012 0.000 2.142 0 N HA -0.101 4.640 4.740 0.000 0.000 0.186 0 N C 1.882 177.386 175.510 -0.009 0.000 1.023 0 N CA 1.599 54.641 53.050 -0.013 0.000 0.852 0 N CB -0.417 38.059 38.487 -0.019 0.000 0.998 0 N HN 0.352 nan 8.380 nan 0.000 0.424 1 A N 0.779 123.596 122.820 -0.006 0.000 1.873 1 A HA 0.081 4.401 4.320 0.000 0.000 0.215 1 A C 2.300 179.878 177.584 -0.009 0.000 1.186 1 A CA 1.845 53.878 52.037 -0.006 0.000 0.616 1 A CB -0.947 18.052 19.000 -0.002 0.000 0.823 1 A HN 0.294 nan 8.150 nan 0.000 0.442 2 A N 0.152 122.967 122.820 -0.008 0.000 1.972 2 A HA -0.072 4.248 4.320 0.000 0.000 0.219 2 A C 2.329 179.901 177.584 -0.020 0.000 1.169 2 A CA 2.201 54.229 52.037 -0.016 0.000 0.635 2 A CB -0.746 18.244 19.000 -0.016 0.000 0.810 2 A HN 1.070 nan 8.150 nan 0.000 0.446 3 S N -2.110 113.581 115.700 -0.015 0.000 2.575 3 S HA 0.391 4.861 4.470 0.000 0.000 0.215 3 S C 1.402 175.993 174.600 -0.015 0.000 0.966 3 S CA 1.034 59.225 58.200 -0.016 0.000 0.911 3 S CB -0.262 62.931 63.200 -0.012 0.000 0.780 3 S HN 1.896 nan 8.310 nan 0.000 0.514 4 G N 2.169 110.960 108.800 -0.014 0.000 2.189 4 G HA2 -0.399 3.562 3.960 0.000 0.000 0.267 4 G HA3 -0.399 3.562 3.960 0.000 0.000 0.267 4 G C 0.912 175.806 174.900 -0.010 0.000 0.975 4 G CA 0.507 45.600 45.100 -0.013 0.000 0.644 4 G HN 0.568 nan 8.290 nan 0.000 0.537 5 R N 0.047 120.542 120.500 -0.009 0.000 2.127 5 R HA 0.005 4.345 4.340 0.000 0.000 0.238 5 R C 1.034 177.331 176.300 -0.005 0.000 1.134 5 R CA 1.791 57.887 56.100 -0.007 0.000 0.975 5 R CB -0.033 30.263 30.300 -0.007 0.000 0.865 5 R HN 0.607 nan 8.270 nan 0.000 0.447 6 Q N -0.818 118.978 119.800 -0.006 0.000 2.456 6 Q HA 0.190 4.530 4.340 0.000 0.000 0.283 6 Q C -0.902 175.096 176.000 -0.004 0.000 1.084 6 Q CA -0.661 55.140 55.803 -0.004 0.000 0.801 6 Q CB 2.416 31.152 28.738 -0.004 0.000 1.434 6 Q HN 0.178 nan 8.270 nan 0.000 0.419 7 T N -2.529 112.025 114.554 -0.001 0.000 2.766 7 T HA 0.147 4.497 4.350 0.000 0.000 0.295 7 T C 1.285 175.985 174.700 0.001 0.000 1.024 7 T CA -0.617 61.483 62.100 -0.000 0.000 1.018 7 T CB 0.505 69.375 68.868 0.002 0.000 1.002 7 T HN 0.318 nan 8.240 nan 0.000 0.532 8 V N 1.389 121.304 119.914 0.002 0.000 2.295 8 V HA -0.160 3.960 4.120 0.000 0.000 0.246 8 V C 2.637 178.734 176.094 0.005 0.000 1.049 8 V CA 2.489 64.791 62.300 0.003 0.000 1.024 8 V CB -1.220 30.606 31.823 0.005 0.000 0.648 8 V HN 1.128 nan 8.190 nan 0.000 0.447 9 D N 0.348 120.753 120.400 0.008 0.000 2.127 9 D HA -0.264 4.376 4.640 0.000 0.000 0.190 9 D C 1.997 178.302 176.300 0.009 0.000 1.000 9 D CA 2.320 56.325 54.000 0.009 0.000 0.839 9 D CB -0.239 40.568 40.800 0.011 0.000 0.955 9 D HN 0.598 nan 8.370 nan 0.000 0.446 10 E N 0.026 120.230 120.200 0.007 0.000 2.038 10 E HA -0.192 4.158 4.350 0.000 0.000 0.195 10 E C 2.300 178.904 176.600 0.006 0.000 1.000 10 E CA 1.244 57.649 56.400 0.007 0.000 0.803 10 E CB -0.363 29.340 29.700 0.005 0.000 0.750 10 E HN 0.437 nan 8.360 nan 0.000 0.448 11 A N 1.164 123.985 122.820 0.001 0.000 1.892 11 A HA -0.201 4.119 4.320 0.000 0.000 0.218 11 A C 2.211 179.794 177.584 -0.002 0.000 1.188 11 A CA 1.418 53.453 52.037 -0.004 0.000 0.631 11 A CB -0.728 18.269 19.000 -0.005 0.000 0.822 11 A HN 0.162 nan 8.150 nan 0.000 0.447 12 L N -1.118 120.108 121.223 0.004 0.000 2.240 12 L HA -0.086 4.254 4.340 0.000 0.000 0.211 12 L C 2.539 179.416 176.870 0.013 0.000 1.106 12 L CA 1.387 56.231 54.840 0.007 0.000 0.793 12 L CB -0.340 41.724 42.059 0.007 0.000 0.927 12 L HN 0.487 nan 8.230 nan 0.000 0.446 13 K N 0.445 120.854 120.400 0.015 0.000 2.026 13 K HA -0.202 4.118 4.320 0.000 0.000 0.208 13 K C 1.587 178.204 176.600 0.029 0.000 1.048 13 K CA 1.748 58.049 56.287 0.023 0.000 0.929 13 K CB 0.063 32.576 32.500 0.022 0.000 0.713 13 K HN 0.170 nan 8.250 nan 0.000 0.439 14 D N 0.408 120.822 120.400 0.022 0.000 2.144 14 D HA -0.135 4.505 4.640 0.000 0.000 0.199 14 D C 1.753 178.069 176.300 0.026 0.000 0.984 14 D CA 1.303 55.318 54.000 0.025 0.000 0.834 14 D CB -0.197 40.610 40.800 0.012 0.000 0.955 14 D HN 0.379 nan 8.370 nan 0.000 0.465 15 A N 0.647 123.473 122.820 0.010 0.000 1.902 15 A HA -0.236 4.084 4.320 0.000 0.000 0.217 15 A C 2.136 179.741 177.584 0.036 0.000 1.181 15 A CA 1.660 53.698 52.037 0.001 0.000 0.623 15 A CB -0.668 18.321 19.000 -0.019 0.000 0.818 15 A HN 0.226 nan 8.150 nan 0.000 0.443 16 Q N -0.780 119.047 119.800 0.044 0.000 2.061 16 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 16 Q C 2.103 178.166 176.000 0.104 0.000 0.984 16 Q CA 2.271 58.114 55.803 0.068 0.000 0.846 16 Q CB -0.281 28.489 28.738 0.054 0.000 0.902 16 Q HN 0.647 nan 8.270 nan 0.000 0.421 17 T N 1.187 115.798 114.554 0.095 0.000 2.708 17 T HA -0.112 4.238 4.350 0.000 0.000 0.266 17 T C 1.508 176.291 174.700 0.139 0.000 1.037 17 T CA 1.388 63.557 62.100 0.115 0.000 1.146 17 T CB -0.261 68.663 68.868 0.094 0.000 0.865 17 T HN 0.318 nan 8.240 nan 0.000 0.435 18 N N 1.282 120.062 118.700 0.132 0.000 2.270 18 N HA 0.073 4.813 4.740 0.000 0.000 0.181 18 N C 2.069 177.701 175.510 0.204 0.000 1.016 18 N CA 1.105 54.262 53.050 0.178 0.000 0.870 18 N CB -0.459 38.139 38.487 0.184 0.000 0.979 18 N HN 0.424 nan 8.380 nan 0.000 0.431 19 A N 0.504 123.435 122.820 0.185 0.000 1.969 19 A HA 0.162 4.482 4.320 0.000 0.000 0.218 19 A C 1.696 179.475 177.584 0.326 0.000 1.169 19 A CA 1.435 53.620 52.037 0.246 0.000 0.635 19 A CB -0.245 18.869 19.000 0.190 0.000 0.810 19 A HN 0.251 nan 8.150 nan 0.000 0.445 20 A N -0.781 122.208 122.820 0.282 0.000 2.684 20 A HA 0.638 4.958 4.320 0.000 0.000 0.288 20 A C 1.558 179.280 177.584 0.230 0.000 1.337 20 A CA 0.662 52.889 52.037 0.317 0.000 0.946 20 A CB -0.682 18.529 19.000 0.351 0.000 1.093 20 A HN 0.764 nan 8.150 nan 0.000 0.543 21 A N 0.790 123.702 122.820 0.153 0.000 2.067 21 A HA -0.126 4.194 4.320 0.000 0.000 0.219 21 A C 1.838 179.430 177.584 0.013 0.000 1.158 21 A CA 1.369 53.465 52.037 0.098 0.000 0.661 21 A CB -0.370 18.685 19.000 0.093 0.000 0.801 21 A HN 0.788 nan 8.150 nan 0.000 0.452 22 E N -1.262 118.874 120.200 -0.107 0.000 2.333 22 E HA -0.076 4.275 4.350 0.000 0.000 0.198 22 E C 0.167 176.510 176.600 -0.429 0.000 1.007 22 E CA 0.312 56.524 56.400 -0.313 0.000 0.845 22 E CB -0.254 29.142 29.700 -0.507 0.000 0.766 22 E HN 0.595 nan 8.360 nan 0.000 0.507 28 Q N -0.680 119.188 119.800 0.113 0.000 2.046 28 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 28 Q C 1.797 177.860 176.000 0.105 0.000 0.975 28 Q CA 1.640 57.505 55.803 0.103 0.000 0.836 28 Q CB -0.230 28.564 28.738 0.094 0.000 0.896 28 Q HN 0.470 nan 8.270 nan 0.000 0.428 29 H N -0.247 118.842 119.070 0.032 0.000 2.387 29 H HA -0.137 4.419 4.556 0.000 0.000 0.299 29 H C 2.046 177.385 175.328 0.019 0.000 1.090 29 H CA 1.527 57.587 56.048 0.021 0.000 1.332 29 H CB -0.317 29.453 29.762 0.012 0.000 1.386 29 H HN 0.348 nan 8.280 nan 0.000 0.516 30 c N 0.634 119.278 118.600 0.074 0.000 2.440 30 c HA -0.071 4.499 4.570 0.000 0.000 0.278 30 c C 2.462 176.555 174.090 0.006 0.000 1.295 30 c CA 1.317 57.661 56.329 0.026 0.000 1.738 30 c CB -0.758 41.790 42.510 0.063 0.000 1.987 30 c HN 0.703 nan 8.230 nan 0.000 0.492 31 E N 0.801 121.018 120.200 0.028 0.000 2.106 31 E HA -0.159 4.191 4.350 0.000 0.000 0.192 31 E C 2.312 178.910 176.600 -0.004 0.000 0.984 31 E CA 1.657 58.078 56.400 0.036 0.000 0.806 31 E CB -0.169 29.565 29.700 0.058 0.000 0.750 31 E HN 0.838 nan 8.360 nan 0.000 0.458 32 S N 1.137 116.806 115.700 -0.051 0.000 2.383 32 S HA -0.087 4.383 4.470 0.000 0.000 0.227 32 S C 1.631 176.170 174.600 -0.102 0.000 1.026 32 S CA 0.572 58.724 58.200 -0.080 0.000 0.981 32 S CB -0.371 62.760 63.200 -0.116 0.000 0.818 32 S HN 0.156 nan 8.310 nan 0.000 0.472 33 L N 2.254 123.388 121.223 -0.148 0.000 2.930 33 L HA 0.290 4.630 4.340 0.000 0.000 0.250 33 L C 0.831 177.670 176.870 -0.052 0.000 1.320 33 L CA 0.137 54.901 54.840 -0.127 0.000 1.163 33 L CB -0.496 41.463 42.059 -0.167 0.000 1.542 33 L HN 0.474 nan 8.230 nan 0.000 0.428 34 S N -0.197 115.488 115.700 -0.026 0.000 4.489 34 S HA 0.017 4.487 4.470 0.000 0.000 0.054 34 S C -0.137 174.471 174.600 0.014 0.000 0.861 34 S CA -0.534 57.669 58.200 0.005 0.000 0.867 34 S CB -0.572 62.646 63.200 0.030 0.000 0.619 34 S HN 0.258 nan 8.310 nan 0.000 0.781 35 L N 1.902 123.127 121.223 0.003 0.000 2.653 35 L HA 0.684 5.025 4.340 0.000 0.000 0.231 35 L C 1.680 178.554 176.870 0.007 0.000 1.153 35 L CA 1.087 55.931 54.840 0.008 0.000 0.933 35 L CB 0.099 42.159 42.059 0.001 0.000 1.175 35 L HN 0.591 nan 8.230 nan 0.000 0.473 36 A N -1.340 121.485 122.820 0.007 0.000 2.275 36 A HA 0.235 4.555 4.320 0.000 0.000 0.212 36 A C 1.072 178.662 177.584 0.011 0.000 1.201 36 A CA 0.385 52.426 52.037 0.007 0.000 0.843 36 A CB -0.509 18.494 19.000 0.005 0.000 0.873 36 A HN 0.445 nan 8.150 nan 0.000 0.492 37 S N 2.016 117.725 115.700 0.016 0.000 2.545 37 S HA 0.432 4.902 4.470 0.000 0.000 0.275 37 S C -0.463 174.145 174.600 0.013 0.000 1.299 37 S CA -0.677 57.534 58.200 0.018 0.000 1.048 37 S CB 0.602 63.818 63.200 0.027 0.000 0.938 37 S HN 0.476 nan 8.310 nan 0.000 0.496 38 N N 2.975 121.680 118.700 0.009 0.000 2.576 38 N HA 0.376 5.116 4.740 0.000 0.000 0.269 38 N C -1.331 174.180 175.510 0.002 0.000 1.058 38 N CA -0.534 52.519 53.050 0.006 0.000 0.860 38 N CB 0.527 39.016 38.487 0.004 0.000 1.249 38 N HN 0.645 nan 8.380 nan 0.000 0.525 39 I N 0.694 121.264 120.570 -0.001 0.000 2.404 39 I HA 0.298 4.468 4.170 0.000 0.000 0.293 39 I C 0.108 176.218 176.117 -0.012 0.000 0.992 39 I CA -0.689 60.606 61.300 -0.008 0.000 1.149 39 I CB 1.776 39.768 38.000 -0.014 0.000 1.315 39 I HN 0.293 nan 8.210 nan 0.000 0.446 40 S N 3.676 119.368 115.700 -0.014 0.000 2.508 40 S HA 0.794 5.264 4.470 0.000 0.000 0.284 40 S C 0.461 175.047 174.600 -0.023 0.000 1.192 40 S CA 0.036 58.227 58.200 -0.016 0.000 1.070 40 S CB 1.548 64.740 63.200 -0.013 0.000 1.004 40 S HN 1.127 nan 8.310 nan 0.000 0.493 41 G N 1.726 110.511 108.800 -0.025 0.000 2.568 41 G HA2 -0.181 3.779 3.960 0.000 0.000 0.222 41 G HA3 -0.181 3.779 3.960 0.000 0.000 0.222 41 G C -0.795 174.080 174.900 -0.043 0.000 1.321 41 G CA -0.824 44.257 45.100 -0.032 0.000 0.893 41 G HN 0.721 nan 8.290 nan 0.000 0.569 42 L N 0.653 121.843 121.223 -0.054 0.000 2.456 42 L HA 0.513 4.854 4.340 0.000 0.000 0.272 42 L C 0.841 177.653 176.870 -0.096 0.000 1.189 42 L CA 0.275 55.072 54.840 -0.073 0.000 0.846 42 L CB 0.651 42.663 42.059 -0.079 0.000 1.111 42 L HN 0.665 nan 8.230 nan 0.000 0.475 43 Q N 1.626 121.358 119.800 -0.114 0.000 2.416 43 Q HA 0.446 4.786 4.340 0.000 0.000 0.281 43 Q C -1.566 174.302 176.000 -0.220 0.000 1.067 43 Q CA -0.784 54.930 55.803 -0.148 0.000 0.809 43 Q CB 2.535 31.222 28.738 -0.086 0.000 1.418 43 Q HN 0.582 nan 8.270 nan 0.000 0.411 44 c N 2.027 120.402 118.600 -0.376 0.000 2.369 44 c HA 0.376 4.946 4.570 0.000 0.000 0.358 44 c C 0.373 174.370 174.090 -0.154 0.000 1.274 44 c CA -0.894 55.112 56.329 -0.538 0.000 1.935 44 c CB -0.524 41.041 42.510 -1.575 0.000 2.431 44 c HN 0.691 nan 8.230 nan 0.000 0.545 45 N N 1.413 120.137 118.700 0.040 0.000 2.371 45 N HA 0.291 5.031 4.740 0.000 0.000 0.243 45 N C 0.182 175.922 175.510 0.384 0.000 1.287 45 N CA 0.002 53.159 53.050 0.178 0.000 0.911 45 N CB 0.576 39.150 38.487 0.144 0.000 1.142 45 N HN 0.847 nan 8.380 nan 0.000 0.451 46 A N 0.568 123.556 122.820 0.281 0.000 2.546 46 A HA 0.222 4.542 4.320 0.000 0.000 0.243 46 A C 0.381 178.118 177.584 0.256 0.000 1.063 46 A CA 0.470 52.672 52.037 0.276 0.000 0.757 46 A CB -0.037 19.060 19.000 0.161 0.000 0.991 46 A HN 0.465 nan 8.150 nan 0.000 0.503 47 S N 1.384 117.215 115.700 0.218 0.000 2.546 47 S HA 0.501 4.971 4.470 0.000 0.000 0.272 47 S C -0.957 173.687 174.600 0.074 0.000 1.140 47 S CA -0.510 57.764 58.200 0.124 0.000 0.920 47 S CB 1.303 64.550 63.200 0.078 0.000 1.083 47 S HN 0.814 nan 8.310 nan 0.000 0.476 48 V N 5.207 125.164 119.914 0.071 0.000 2.432 48 V HA 0.313 4.433 4.120 0.000 0.000 0.275 48 V C 0.214 176.359 176.094 0.086 0.000 1.043 48 V CA -0.635 61.702 62.300 0.061 0.000 0.925 48 V CB 1.164 33.017 31.823 0.050 0.000 0.985 48 V HN 0.966 nan 8.190 nan 0.000 0.466 49 D N 4.294 124.783 120.400 0.148 0.000 2.414 49 D HA 0.146 4.786 4.640 0.000 0.000 0.251 49 D C 1.041 177.397 176.300 0.094 0.000 1.252 49 D CA -0.478 53.608 54.000 0.143 0.000 0.999 49 D CB 0.752 41.725 40.800 0.289 0.000 1.093 49 D HN 0.253 nan 8.370 nan 0.000 0.515 50 L N -0.731 120.541 121.223 0.082 0.000 2.275 50 L HA -0.012 4.328 4.340 0.000 0.000 0.215 50 L C 2.141 179.046 176.870 0.059 0.000 1.119 50 L CA 0.668 55.549 54.840 0.067 0.000 0.790 50 L CB -0.353 41.745 42.059 0.065 0.000 0.919 50 L HN 0.409 nan 8.230 nan 0.000 0.443 51 I N -0.762 119.809 120.570 0.001 0.000 3.059 51 I HA 0.005 4.175 4.170 0.000 0.000 0.270 51 I C 1.575 177.672 176.117 -0.033 0.000 1.238 51 I CA 0.834 62.057 61.300 -0.128 0.000 1.478 51 I CB -0.115 37.538 38.000 -0.578 0.000 1.097 51 I HN 0.456 nan 8.210 nan 0.000 0.455 52 G N 1.051 109.853 108.800 0.003 0.000 2.163 52 G HA2 -0.201 3.759 3.960 0.000 0.000 0.213 52 G HA3 -0.201 3.759 3.960 0.000 0.000 0.213 52 G C 0.324 175.192 174.900 -0.052 0.000 0.991 52 G CA -0.064 45.037 45.100 0.001 0.000 0.653 52 G HN 0.256 nan 8.290 nan 0.000 0.518 53 T N 0.872 115.376 114.554 -0.082 0.000 2.851 53 T HA 0.403 4.753 4.350 0.000 0.000 0.298 53 T C 0.595 175.076 174.700 -0.366 0.000 0.977 53 T CA 0.475 62.430 62.100 -0.242 0.000 1.126 53 T CB 1.597 70.305 68.868 -0.267 0.000 0.916 53 T HN 0.797 nan 8.240 nan 0.000 0.529 54 c N 6.355 124.708 118.600 -0.410 0.000 2.303 54 c HA 0.524 5.094 4.570 0.000 0.000 0.341 54 c C -0.541 173.223 174.090 -0.544 0.000 1.244 54 c CA -1.231 54.909 56.329 -0.315 0.000 1.765 54 c CB -1.575 40.852 42.510 -0.138 0.000 2.379 54 c HN 0.893 nan 8.230 nan 0.000 0.530 55 W N 8.289 129.468 121.300 -0.202 0.000 2.335 55 W HA 0.404 5.064 4.660 0.000 0.000 0.307 55 W C -1.870 174.636 176.519 -0.022 0.000 1.117 55 W CA -2.396 54.777 57.345 -0.286 0.000 1.228 55 W CB 0.656 29.576 29.460 -0.900 0.000 1.240 55 W HN 0.591 nan 8.180 nan 0.000 0.468 56 P HA 0.089 nan 4.420 nan 0.000 0.276 56 P C -0.327 177.217 177.300 0.406 0.000 1.244 56 P CA -0.693 62.560 63.100 0.255 0.000 0.801 56 P CB 0.780 32.573 31.700 0.155 0.000 1.006 57 R N 1.402 122.061 120.500 0.265 0.000 2.501 57 R HA 0.134 4.475 4.340 0.000 0.000 0.319 57 R C -0.629 175.758 176.300 0.145 0.000 0.913 57 R CA 0.832 57.050 56.100 0.197 0.000 1.104 57 R CB -0.461 29.906 30.300 0.112 0.000 0.901 57 R HN 0.453 nan 8.270 nan 0.000 0.407 58 S N 5.629 121.366 115.700 0.063 0.000 2.570 58 S HA 0.493 4.963 4.470 0.000 0.000 0.286 58 S C -2.648 171.881 174.600 -0.118 0.000 1.099 58 S CA -1.408 56.789 58.200 -0.005 0.000 0.913 58 S CB 2.337 65.557 63.200 0.034 0.000 1.085 58 S HN 0.531 nan 8.310 nan 0.000 0.480 59 P HA 0.294 nan 4.420 nan 0.000 0.271 59 P C -0.975 176.236 177.300 -0.149 0.000 1.218 59 P CA -0.311 62.732 63.100 -0.095 0.000 0.780 59 P CB 0.234 31.903 31.700 -0.051 0.000 0.901 60 A N 2.472 125.201 122.820 -0.152 0.000 2.462 60 A HA 0.454 4.774 4.320 0.000 0.000 0.243 60 A C 1.396 178.912 177.584 -0.114 0.000 1.076 60 A CA 0.692 52.630 52.037 -0.165 0.000 0.773 60 A CB -1.300 17.616 19.000 -0.140 0.000 1.010 60 A HN 0.877 nan 8.150 nan 0.000 0.493 61 G N 0.652 109.386 108.800 -0.111 0.000 2.141 61 G HA2 -0.175 3.785 3.960 0.000 0.000 0.231 61 G HA3 -0.175 3.785 3.960 0.000 0.000 0.231 61 G C 0.011 174.880 174.900 -0.052 0.000 0.984 61 G CA 0.484 45.540 45.100 -0.073 0.000 0.660 61 G HN 0.953 nan 8.290 nan 0.000 0.525 62 Q N -0.748 119.018 119.800 -0.056 0.000 2.365 62 Q HA 0.678 5.018 4.340 0.000 0.000 0.269 62 Q C -0.504 175.506 176.000 0.016 0.000 1.061 62 Q CA -1.083 54.710 55.803 -0.016 0.000 0.816 62 Q CB 2.252 30.986 28.738 -0.006 0.000 1.325 62 Q HN 0.313 nan 8.270 nan 0.000 0.446 63 L N 2.998 124.251 121.223 0.049 0.000 2.349 63 L HA 0.374 4.715 4.340 0.000 0.000 0.275 63 L C -1.236 175.731 176.870 0.162 0.000 1.115 63 L CA 0.072 54.971 54.840 0.097 0.000 0.820 63 L CB 1.090 43.205 42.059 0.093 0.000 1.135 63 L HN 0.368 nan 8.230 nan 0.000 0.445 64 V N 5.413 125.466 119.914 0.231 0.000 2.581 64 V HA 0.592 4.712 4.120 0.000 0.000 0.303 64 V C -0.517 175.791 176.094 0.357 0.000 1.041 64 V CA -0.747 61.746 62.300 0.322 0.000 0.907 64 V CB 1.846 33.977 31.823 0.513 0.000 0.994 64 V HN 0.526 nan 8.190 nan 0.000 0.442 65 V N 4.949 125.015 119.914 0.254 0.000 2.443 65 V HA 0.645 4.765 4.120 0.000 0.000 0.293 65 V C -0.265 175.808 176.094 -0.036 0.000 1.021 65 V CA -0.685 61.654 62.300 0.067 0.000 0.848 65 V CB 1.724 33.553 31.823 0.010 0.000 0.998 65 V HN 0.787 nan 8.190 nan 0.000 0.424 66 R N 4.010 124.393 120.500 -0.195 0.000 2.750 66 R HA 0.587 4.927 4.340 0.000 0.000 0.281 66 R C -2.913 173.200 176.300 -0.311 0.000 0.972 66 R CA -2.308 53.583 56.100 -0.349 0.000 0.912 66 R CB 2.678 32.512 30.300 -0.776 0.000 1.187 66 R HN 0.353 nan 8.270 nan 0.000 0.464 67 P HA 0.119 nan 4.420 nan 0.000 0.270 67 P C -0.210 177.001 177.300 -0.148 0.000 1.223 67 P CA -0.355 62.650 63.100 -0.158 0.000 0.785 67 P CB 0.477 32.113 31.700 -0.107 0.000 0.923 68 c N 3.189 121.740 118.600 -0.082 0.000 2.644 68 c HA 0.212 4.782 4.570 0.000 0.000 0.417 68 c C -1.675 172.378 174.090 -0.062 0.000 1.304 68 c CA -0.785 55.511 56.329 -0.055 0.000 2.035 68 c CB -0.821 41.669 42.510 -0.032 0.000 2.673 68 c HN 0.526 nan 8.230 nan 0.000 0.602 69 P HA 0.086 nan 4.420 nan 0.000 0.265 69 P C 0.274 177.612 177.300 0.064 0.000 1.193 69 P CA 0.484 63.550 63.100 -0.057 0.000 0.765 69 P CB 0.520 32.151 31.700 -0.115 0.000 0.823 70 A N 2.959 125.820 122.820 0.068 0.000 1.883 70 A HA 0.108 4.428 4.320 0.000 0.000 0.217 70 A C 1.191 178.874 177.584 0.164 0.000 1.186 70 A CA 1.727 53.825 52.037 0.101 0.000 0.624 70 A CB -1.161 17.870 19.000 0.053 0.000 0.822 70 A HN 0.585 nan 8.150 nan 0.000 0.444 71 F N -2.225 117.824 119.950 0.164 0.000 2.551 71 F HA 0.677 5.204 4.527 0.000 0.000 0.316 71 F C -1.038 174.946 175.800 0.306 0.000 1.089 71 F CA -1.443 56.682 58.000 0.207 0.000 0.915 71 F CB 1.041 40.101 39.000 0.100 0.000 1.186 71 F HN 0.274 nan 8.300 nan 0.000 0.456 72 F N 3.632 123.694 119.950 0.187 0.000 2.745 72 F HA 0.519 5.046 4.527 0.000 0.000 0.343 72 F C -0.009 175.856 175.800 0.108 0.000 1.196 72 F CA -0.874 57.195 58.000 0.116 0.000 1.021 72 F CB 0.552 39.583 39.000 0.053 0.000 1.297 72 F HN 2.248 nan 8.300 nan 0.000 0.486 73 Y N 1.695 121.790 120.300 -0.343 0.000 3.234 73 Y HA 0.075 4.625 4.550 0.000 0.000 0.207 73 Y C 1.610 177.411 175.900 -0.165 0.000 1.316 73 Y CA 0.516 58.408 58.100 -0.347 0.000 1.309 73 Y CB -2.086 36.019 38.460 -0.591 0.000 1.408 73 Y HN 2.501 nan 8.280 nan 0.000 0.544 74 G N -1.505 107.252 108.800 -0.072 0.000 2.295 74 G HA2 0.198 4.159 3.960 0.000 0.000 0.287 74 G HA3 0.198 4.159 3.960 0.000 0.000 0.287 74 G C -0.137 174.735 174.900 -0.048 0.000 1.055 74 G CA 0.402 45.476 45.100 -0.044 0.000 0.922 74 G HN 2.256 nan 8.290 nan 0.000 0.503 75 V N -0.557 119.347 119.914 -0.018 0.000 2.577 75 V HA 0.874 4.995 4.120 0.000 0.000 0.303 75 V C 0.757 176.782 176.094 -0.114 0.000 1.042 75 V CA -0.418 61.827 62.300 -0.091 0.000 0.872 75 V CB 1.528 33.282 31.823 -0.115 0.000 0.998 75 V HN 0.987 nan 8.190 nan 0.000 0.423 76 R N 3.038 123.418 120.500 -0.201 0.000 2.537 76 R HA 0.567 4.907 4.340 0.000 0.000 0.280 76 R C -1.105 174.958 176.300 -0.396 0.000 1.058 76 R CA 0.370 56.371 56.100 -0.165 0.000 1.057 76 R CB -0.022 30.207 30.300 -0.118 0.000 0.973 76 R HN 0.720 nan 8.270 nan 0.000 0.438 77 Y N 0.523 120.839 120.300 0.028 0.000 2.524 77 Y HA 0.323 4.873 4.550 0.000 0.000 0.347 77 Y C 0.228 176.138 175.900 0.016 0.000 1.005 77 Y CA -1.101 57.015 58.100 0.027 0.000 1.025 77 Y CB 2.456 40.934 38.460 0.029 0.000 1.275 77 Y HN 0.748 nan 8.280 nan 0.000 0.460 78 N N 1.190 120.009 118.700 0.198 0.000 2.420 78 N HA 0.011 4.751 4.740 0.000 0.000 0.262 78 N C 0.769 176.337 175.510 0.097 0.000 1.144 78 N CA 0.313 53.431 53.050 0.113 0.000 0.952 78 N CB 1.073 39.613 38.487 0.088 0.000 1.081 78 N HN 0.845 nan 8.380 nan 0.000 0.480 79 T N -0.510 114.082 114.554 0.063 0.000 3.160 79 T HA -0.019 4.331 4.350 0.000 0.000 0.257 79 T C 1.275 175.982 174.700 0.012 0.000 1.147 79 T CA 0.591 62.709 62.100 0.030 0.000 1.064 79 T CB -0.187 68.690 68.868 0.016 0.000 0.949 79 T HN 0.351 nan 8.240 nan 0.000 0.526 80 T N 2.118 116.687 114.554 0.025 0.000 2.985 80 T HA 0.056 4.407 4.350 0.000 0.000 0.266 80 T C 0.911 175.622 174.700 0.019 0.000 1.076 80 T CA 0.210 62.322 62.100 0.019 0.000 1.135 80 T CB -0.183 68.702 68.868 0.027 0.000 0.890 80 T HN 0.486 nan 8.240 nan 0.000 0.480 81 N N 2.638 121.356 118.700 0.031 0.000 2.467 81 N HA 0.217 4.957 4.740 0.000 0.000 0.262 81 N C -0.344 175.148 175.510 -0.030 0.000 1.234 81 N CA 0.089 53.157 53.050 0.030 0.000 0.952 81 N CB 0.390 38.916 38.487 0.065 0.000 1.158 81 N HN 0.253 nan 8.380 nan 0.000 0.463 82 N N -0.924 117.725 118.700 -0.085 0.000 2.328 82 N HA 0.494 5.234 4.740 0.000 0.000 0.299 82 N C -0.162 175.126 175.510 -0.369 0.000 1.179 82 N CA -0.530 52.358 53.050 -0.270 0.000 0.793 82 N CB 2.120 40.343 38.487 -0.441 0.000 1.366 82 N HN 0.518 nan 8.380 nan 0.000 0.493 83 G N -0.116 108.445 108.800 -0.399 0.000 2.441 83 G HA2 0.636 4.596 3.960 0.000 0.000 0.334 83 G HA3 0.636 4.596 3.960 0.000 0.000 0.334 83 G C -1.574 173.077 174.900 -0.415 0.000 1.161 83 G CA -0.193 44.682 45.100 -0.376 0.000 0.935 83 G HN 0.391 nan 8.290 nan 0.000 0.488 84 Y N -0.457 119.834 120.300 -0.015 0.000 2.406 84 Y HA 0.673 5.223 4.550 0.000 0.000 0.340 84 Y C 0.351 176.131 175.900 -0.200 0.000 0.975 84 Y CA -0.916 57.187 58.100 0.004 0.000 1.056 84 Y CB 2.581 41.025 38.460 -0.027 0.000 1.210 84 Y HN 0.515 nan 8.280 nan 0.000 0.448 85 R N 1.873 122.273 120.500 -0.167 0.000 2.564 85 R HA 0.373 4.713 4.340 0.000 0.000 0.284 85 R C -1.568 174.688 176.300 -0.073 0.000 1.031 85 R CA -0.855 54.984 56.100 -0.434 0.000 0.904 85 R CB 1.821 31.260 30.300 -1.436 0.000 1.199 85 R HN 0.768 nan 8.270 nan 0.000 0.443 86 E N 2.761 122.951 120.200 -0.016 0.000 2.229 86 E HA 0.113 4.463 4.350 0.000 0.000 0.283 86 E C -1.102 175.537 176.600 0.065 0.000 1.030 86 E CA -0.316 56.105 56.400 0.035 0.000 0.836 86 E CB 0.985 30.678 29.700 -0.011 0.000 1.068 86 E HN 0.538 nan 8.360 nan 0.000 0.401 87 c N 7.556 126.115 118.600 -0.069 0.000 2.349 87 c HA 0.370 4.940 4.570 0.000 0.000 0.348 87 c C 0.129 174.077 174.090 -0.236 0.000 1.223 87 c CA -0.739 55.349 56.329 -0.402 0.000 1.746 87 c CB -1.698 40.398 42.510 -0.690 0.000 2.360 87 c HN 0.730 nan 8.230 nan 0.000 0.533 88 L N 5.983 127.085 121.223 -0.202 0.000 2.476 88 L HA 0.247 4.587 4.340 0.000 0.000 0.264 88 L C 1.824 178.615 176.870 -0.132 0.000 1.224 88 L CA 0.091 54.855 54.840 -0.126 0.000 0.821 88 L CB 0.189 42.192 42.059 -0.093 0.000 1.101 88 L HN 0.851 nan 8.230 nan 0.000 0.488 89 A N 1.677 124.441 122.820 -0.093 0.000 2.032 89 A HA -0.203 4.117 4.320 0.000 0.000 0.221 89 A C 1.670 179.201 177.584 -0.087 0.000 1.165 89 A CA 1.981 53.968 52.037 -0.083 0.000 0.645 89 A CB -0.780 18.184 19.000 -0.061 0.000 0.807 89 A HN 0.947 nan 8.150 nan 0.000 0.453 90 N N -1.286 117.361 118.700 -0.089 0.000 2.398 90 N HA 0.225 4.965 4.740 0.000 0.000 0.188 90 N C 0.992 176.438 175.510 -0.106 0.000 1.122 90 N CA 1.136 54.136 53.050 -0.083 0.000 0.866 90 N CB -0.427 38.019 38.487 -0.067 0.000 0.970 90 N HN 0.833 nan 8.380 nan 0.000 0.462 91 G N -1.143 107.566 108.800 -0.151 0.000 2.141 91 G HA2 -0.249 3.711 3.960 0.000 0.000 0.242 91 G HA3 -0.249 3.711 3.960 0.000 0.000 0.242 91 G C -0.348 174.409 174.900 -0.237 0.000 0.982 91 G CA 0.304 45.283 45.100 -0.202 0.000 0.662 91 G HN 0.458 nan 8.290 nan 0.000 0.527 92 S N -0.639 114.944 115.700 -0.194 0.000 2.565 92 S HA 0.617 5.087 4.470 0.000 0.000 0.290 92 S C -0.000 174.485 174.600 -0.191 0.000 1.150 92 S CA -0.593 57.515 58.200 -0.153 0.000 1.058 92 S CB 0.886 64.052 63.200 -0.058 0.000 1.032 92 S HN 0.347 nan 8.310 nan 0.000 0.510 93 W N 1.850 123.104 121.300 -0.077 0.000 2.190 93 W HA 0.454 5.114 4.660 0.000 0.000 0.330 93 W C 0.752 177.193 176.519 -0.131 0.000 1.299 93 W CA -0.495 56.773 57.345 -0.129 0.000 1.215 93 W CB 0.317 29.682 29.460 -0.158 0.000 1.147 93 W HN 0.735 nan 8.180 nan 0.000 0.563 94 A N 2.641 125.540 122.820 0.131 0.000 2.561 94 A HA 0.312 4.633 4.320 0.000 0.000 0.234 94 A C 1.324 178.909 177.584 0.002 0.000 1.055 94 A CA 0.483 52.535 52.037 0.026 0.000 0.756 94 A CB 0.271 19.260 19.000 -0.018 0.000 0.986 94 A HN 0.986 nan 8.150 nan 0.000 0.505 95 A N 2.366 125.181 122.820 -0.009 0.000 2.019 95 A HA -0.009 4.311 4.320 0.000 0.000 0.219 95 A C 1.483 179.039 177.584 -0.047 0.000 1.164 95 A CA 1.477 53.504 52.037 -0.017 0.000 0.644 95 A CB -0.097 18.899 19.000 -0.007 0.000 0.805 95 A HN 0.797 nan 8.150 nan 0.000 0.449 96 R N -0.583 119.880 120.500 -0.062 0.000 2.589 96 R HA 0.547 4.887 4.340 0.000 0.000 0.293 96 R C -1.704 174.514 176.300 -0.136 0.000 0.963 96 R CA -0.425 55.636 56.100 -0.066 0.000 0.905 96 R CB 1.692 31.972 30.300 -0.034 0.000 1.144 96 R HN 0.074 nan 8.270 nan 0.000 0.459 97 V N 3.584 123.413 119.914 -0.142 0.000 2.483 97 V HA 0.198 4.318 4.120 0.000 0.000 0.295 97 V C -0.104 175.873 176.094 -0.194 0.000 1.035 97 V CA -0.975 61.161 62.300 -0.272 0.000 0.896 97 V CB 1.631 33.227 31.823 -0.379 0.000 0.986 97 V HN 0.677 nan 8.190 nan 0.000 0.447 98 N N 2.776 121.376 118.700 -0.167 0.000 2.415 98 N HA 0.196 4.936 4.740 0.000 0.000 0.246 98 N C -0.291 175.163 175.510 -0.093 0.000 1.078 98 N CA 0.136 53.160 53.050 -0.044 0.000 0.942 98 N CB 0.217 38.731 38.487 0.045 0.000 1.140 98 N HN 0.657 nan 8.380 nan 0.000 0.501 99 Y N 0.861 121.189 120.300 0.047 0.000 2.485 99 Y HA 0.016 4.566 4.550 0.000 0.000 0.260 99 Y C 2.172 178.077 175.900 0.009 0.000 1.173 99 Y CA -0.193 57.903 58.100 -0.007 0.000 1.252 99 Y CB 0.371 38.765 38.460 -0.109 0.000 1.123 99 Y HN 0.618 nan 8.280 nan 0.000 0.524 100 S N -0.212 115.588 115.700 0.166 0.000 2.402 100 S HA -0.252 4.218 4.470 0.000 0.000 0.233 100 S C 1.450 176.129 174.600 0.131 0.000 1.030 100 S CA 1.672 59.949 58.200 0.128 0.000 1.003 100 S CB -0.184 63.072 63.200 0.093 0.000 0.813 100 S HN 0.567 nan 8.310 nan 0.000 0.477 101 E N 0.161 120.454 120.200 0.156 0.000 2.371 101 E HA 0.066 4.416 4.350 0.000 0.000 0.194 101 E C -0.062 176.616 176.600 0.130 0.000 1.012 101 E CA 0.229 56.717 56.400 0.148 0.000 0.860 101 E CB -0.145 29.674 29.700 0.200 0.000 0.811 101 E HN 0.539 nan 8.360 nan 0.000 0.502 102 c N 2.930 121.601 118.600 0.119 0.000 2.551 102 c HA 0.120 4.690 4.570 0.000 0.000 0.369 102 c C 0.616 174.837 174.090 0.219 0.000 1.154 102 c CA -0.571 55.821 56.329 0.104 0.000 1.456 102 c CB -1.802 40.661 42.510 -0.078 0.000 2.037 102 c HN 0.342 nan 8.230 nan 0.000 0.547 103 Q N 1.842 121.779 119.800 0.228 0.000 2.299 103 Q HA 0.234 4.574 4.340 0.000 0.000 0.246 103 Q C 0.167 176.317 176.000 0.250 0.000 0.935 103 Q CA -0.040 55.892 55.803 0.216 0.000 0.887 103 Q CB 0.945 29.760 28.738 0.129 0.000 1.223 103 Q HN 0.710 nan 8.270 nan 0.000 0.439 104 E N 0.000 120.299 120.200 0.165 0.000 2.725 104 E HA 0.000 4.350 4.350 0.000 0.000 0.291 104 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 104 E CB 0.000 29.705 29.700 0.008 0.000 0.812 104 E HN 0.000 nan 8.360 nan 0.000 0.440