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 3n95_1_D DATA FIRST_RESID -369 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 LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGXXXX DATA SEQUENCE XXXXXXYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP ILD 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 -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.566 176.600 -0.057 0.000 0.988 -369 K CA 0.000 56.254 56.287 -0.055 0.000 0.838 -369 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 -368 I N 2.963 123.491 120.570 -0.070 0.000 2.519 -368 I HA 0.106 4.276 4.170 0.000 0.000 0.287 -368 I C 0.936 177.023 176.117 -0.051 0.000 1.047 -368 I CA -0.208 61.049 61.300 -0.072 0.000 1.381 -368 I CB 0.745 38.688 38.000 -0.095 0.000 1.417 -368 I HN 0.322 nan 8.210 nan 0.000 0.540 -367 E N 5.012 125.186 120.200 -0.044 0.000 2.384 -367 E HA 0.031 4.382 4.350 0.000 0.000 0.266 -367 E C -0.329 176.254 176.600 -0.028 0.000 1.012 -367 E CA -0.021 56.360 56.400 -0.031 0.000 0.901 -367 E CB 0.787 30.472 29.700 -0.024 0.000 0.967 -367 E HN 0.484 nan 8.360 nan 0.000 0.435 -366 E N 0.366 120.554 120.200 -0.020 0.000 2.259 -366 E HA 0.317 4.667 4.350 0.000 0.000 0.281 -366 E C 0.382 176.978 176.600 -0.006 0.000 1.027 -366 E CA 0.146 56.538 56.400 -0.013 0.000 0.838 -366 E CB 0.551 30.245 29.700 -0.010 0.000 1.066 -366 E HN 0.689 nan 8.360 nan 0.000 0.401 -365 G N 3.939 112.741 108.800 0.002 0.000 2.131 -365 G HA2 -0.248 3.712 3.960 0.000 0.000 0.223 -365 G HA3 -0.248 3.712 3.960 0.000 0.000 0.223 -365 G C -0.265 174.645 174.900 0.017 0.000 0.990 -365 G CA 0.507 45.614 45.100 0.013 0.000 0.671 -365 G HN 0.617 nan 8.290 nan 0.000 0.521 -364 K N -1.163 119.239 120.400 0.004 0.000 2.533 -364 K HA 0.851 5.171 4.320 0.000 0.000 0.284 -364 K C -1.187 175.386 176.600 -0.045 0.000 1.025 -364 K CA -1.356 54.928 56.287 -0.005 0.000 0.900 -364 K CB 1.436 33.930 32.500 -0.011 0.000 1.519 -364 K HN 0.195 nan 8.250 nan 0.000 0.432 -363 L N 1.698 122.867 121.223 -0.091 0.000 2.376 -363 L HA 0.482 4.822 4.340 0.000 0.000 0.275 -363 L C -1.108 175.671 176.870 -0.152 0.000 0.987 -363 L CA -1.297 53.442 54.840 -0.167 0.000 0.828 -363 L CB 2.158 44.019 42.059 -0.330 0.000 1.249 -363 L HN 0.397 nan 8.230 nan 0.000 0.409 -362 V N 4.889 124.727 119.914 -0.127 0.000 2.398 -362 V HA 0.480 4.600 4.120 0.000 0.000 0.286 -362 V C 0.051 176.093 176.094 -0.087 0.000 1.026 -362 V CA -0.280 61.972 62.300 -0.079 0.000 0.868 -362 V CB 1.917 33.705 31.823 -0.058 0.000 0.982 -362 V HN 0.502 nan 8.190 nan 0.000 0.443 -361 I N 3.890 124.476 120.570 0.026 0.000 2.433 -361 I HA 0.449 4.620 4.170 0.000 0.000 0.292 -361 I C -1.104 175.247 176.117 0.391 0.000 1.001 -361 I CA -0.427 60.950 61.300 0.128 0.000 1.119 -361 I CB 2.069 40.136 38.000 0.112 0.000 1.289 -361 I HN 0.503 nan 8.210 nan 0.000 0.438 -360 W N 7.160 128.534 121.300 0.123 0.000 2.529 -360 W HA 0.692 5.352 4.660 0.000 0.000 0.321 -360 W C -0.337 176.321 176.519 0.231 0.000 1.047 -360 W CA -0.919 56.496 57.345 0.117 0.000 1.216 -360 W CB 1.283 30.786 29.460 0.072 0.000 1.357 -360 W HN 0.218 nan 8.180 nan 0.000 0.489 -359 I N 2.704 123.472 120.570 0.331 0.000 3.095 -359 I HA 0.330 4.501 4.170 0.000 0.000 0.310 -359 I C -0.371 175.823 176.117 0.129 0.000 1.196 -359 I CA -1.029 60.413 61.300 0.237 0.000 0.985 -359 I CB 1.968 39.968 38.000 0.000 0.000 1.250 -359 I HN 0.189 nan 8.210 nan 0.000 0.446 -358 N N 2.373 121.121 118.700 0.079 0.000 2.518 -358 N HA 0.200 4.940 4.740 0.000 0.000 0.266 -358 N C 0.927 176.381 175.510 -0.093 0.000 1.196 -358 N CA 0.935 53.979 53.050 -0.011 0.000 0.947 -358 N CB 1.603 39.965 38.487 -0.208 0.000 1.098 -358 N HN 0.732 nan 8.380 nan 0.000 0.450 -357 G N 1.264 109.998 108.800 -0.110 0.000 2.498 -357 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 -357 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 -357 G C 0.800 175.668 174.900 -0.054 0.000 1.119 -357 G CA 0.902 45.899 45.100 -0.171 0.000 0.766 -357 G HN 0.808 nan 8.290 nan 0.000 0.552 -356 D N -0.015 120.281 120.400 -0.174 0.000 2.323 -356 D HA 0.010 4.651 4.640 0.000 0.000 0.209 -356 D C 1.038 177.261 176.300 -0.129 0.000 0.973 -356 D CA 0.451 54.330 54.000 -0.201 0.000 0.874 -356 D CB 0.103 40.602 40.800 -0.501 0.000 0.930 -356 D HN 0.102 nan 8.370 nan 0.000 0.521 -355 K N 0.277 120.602 120.400 -0.125 0.000 2.148 -355 K HA 0.476 4.796 4.320 0.000 0.000 0.239 -355 K C 0.887 177.468 176.600 -0.032 0.000 1.018 -355 K CA -0.613 55.623 56.287 -0.086 0.000 0.923 -355 K CB 0.688 33.093 32.500 -0.158 0.000 1.117 -355 K HN 0.033 nan 8.250 nan 0.000 0.477 -354 G N 1.793 110.548 108.800 -0.074 0.000 3.102 -354 G HA2 0.057 4.017 3.960 0.000 0.000 0.264 -354 G HA3 0.057 4.017 3.960 0.000 0.000 0.264 -354 G C 0.743 175.556 174.900 -0.144 0.000 0.788 -354 G CA -0.099 44.920 45.100 -0.135 0.000 2.029 -354 G HN 0.622 nan 8.290 nan 0.000 0.608 -353 Y N -0.694 119.530 120.300 -0.127 0.000 2.373 -353 Y HA 0.020 4.571 4.550 0.001 0.000 0.293 -353 Y C 2.060 177.926 175.900 -0.056 0.000 1.129 -353 Y CA 0.878 58.912 58.100 -0.111 0.000 1.226 -353 Y CB -0.365 38.025 38.460 -0.118 0.000 1.000 -353 Y HN 0.368 nan 8.280 nan 0.000 0.549 -352 N N 0.700 119.187 118.700 -0.355 0.000 2.216 -352 N HA -0.061 4.679 4.740 0.000 0.000 0.183 -352 N C 2.188 177.657 175.510 -0.068 0.000 1.017 -352 N CA 0.853 53.805 53.050 -0.164 0.000 0.861 -352 N CB -0.396 37.943 38.487 -0.248 0.000 0.986 -352 N HN 0.553 nan 8.380 nan 0.000 0.428 -351 G N 1.391 110.137 108.800 -0.090 0.000 2.446 -351 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 -351 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 -351 G C 1.438 176.342 174.900 0.007 0.000 1.168 -351 G CA 0.462 45.541 45.100 -0.035 0.000 0.771 -351 G HN 0.146 nan 8.290 nan 0.000 0.551 -350 L N 1.447 122.673 121.223 0.004 0.000 2.012 -350 L HA 0.099 4.439 4.340 0.000 0.000 0.210 -350 L C 3.072 180.016 176.870 0.124 0.000 1.073 -350 L CA 2.184 57.059 54.840 0.058 0.000 0.748 -350 L CB -0.737 41.318 42.059 -0.007 0.000 0.891 -350 L HN 0.242 nan 8.230 nan 0.000 0.431 -349 A N -1.111 121.768 122.820 0.098 0.000 2.019 -349 A HA -0.164 4.157 4.320 0.000 0.000 0.219 -349 A C 2.087 179.733 177.584 0.103 0.000 1.164 -349 A CA 1.527 53.626 52.037 0.103 0.000 0.644 -349 A CB -0.486 18.577 19.000 0.105 0.000 0.805 -349 A HN 0.531 nan 8.150 nan 0.000 0.449 -348 E N -0.054 120.198 120.200 0.086 0.000 2.047 -348 E HA -0.105 4.245 4.350 0.000 0.000 0.191 -348 E C 2.217 178.893 176.600 0.126 0.000 0.987 -348 E CA 1.365 57.815 56.400 0.085 0.000 0.799 -348 E CB -0.775 28.957 29.700 0.053 0.000 0.752 -348 E HN 0.409 nan 8.360 nan 0.000 0.449 -347 V N 0.986 120.989 119.914 0.148 0.000 2.407 -347 V HA -0.172 3.948 4.120 0.000 0.000 0.248 -347 V C 2.392 178.696 176.094 0.350 0.000 1.055 -347 V CA 1.901 64.321 62.300 0.201 0.000 1.049 -347 V CB -1.161 30.740 31.823 0.129 0.000 0.662 -347 V HN 0.320 nan 8.190 nan 0.000 0.455 -346 G N -0.380 108.639 108.800 0.364 0.000 2.432 -346 G HA2 -0.206 3.755 3.960 0.000 0.000 0.219 -346 G HA3 -0.206 3.755 3.960 0.000 0.000 0.219 -346 G C 1.675 176.701 174.900 0.210 0.000 1.135 -346 G CA 0.472 45.741 45.100 0.281 0.000 0.767 -346 G HN 0.338 nan 8.290 nan 0.000 0.550 -345 K N 0.522 121.020 120.400 0.163 0.000 2.097 -345 K HA 0.002 4.322 4.320 0.000 0.000 0.205 -345 K C 2.286 178.965 176.600 0.131 0.000 1.050 -345 K CA 0.927 57.288 56.287 0.123 0.000 0.938 -345 K CB -0.260 32.296 32.500 0.093 0.000 0.718 -345 K HN 0.378 nan 8.250 nan 0.000 0.442 -344 K N -0.234 120.266 120.400 0.167 0.000 2.097 -344 K HA -0.106 4.215 4.320 0.000 0.000 0.205 -344 K C 2.082 178.768 176.600 0.142 0.000 1.050 -344 K CA 0.811 57.205 56.287 0.179 0.000 0.938 -344 K CB -0.159 32.489 32.500 0.247 0.000 0.718 -344 K HN -0.032 nan 8.250 nan 0.000 0.442 -343 F N 2.097 121.986 119.950 -0.102 0.000 2.134 -343 F HA -0.157 4.370 4.527 0.000 0.000 0.299 -343 F C 2.254 177.958 175.800 -0.160 0.000 1.097 -343 F CA 1.747 59.517 58.000 -0.385 0.000 1.264 -343 F CB -0.012 38.844 39.000 -0.240 0.000 1.001 -343 F HN 0.150 nan 8.300 nan 0.000 0.479 -342 E N 0.033 120.285 120.200 0.086 0.000 2.072 -342 E HA -0.204 4.146 4.350 0.000 0.000 0.190 -342 E C 2.211 178.797 176.600 -0.023 0.000 0.982 -342 E CA 0.975 57.394 56.400 0.031 0.000 0.803 -342 E CB -0.017 29.729 29.700 0.076 0.000 0.755 -342 E HN 0.381 nan 8.360 nan 0.000 0.453 -341 K N 0.426 120.828 120.400 0.003 0.000 2.009 -341 K HA -0.179 4.141 4.320 0.000 0.000 0.210 -341 K C 1.811 178.395 176.600 -0.028 0.000 1.049 -341 K CA 1.870 58.159 56.287 0.003 0.000 0.929 -341 K CB -0.067 32.453 32.500 0.033 0.000 0.714 -341 K HN 0.112 nan 8.250 nan 0.000 0.440 -340 D N -0.434 119.936 120.400 -0.050 0.000 2.077 -340 D HA -0.132 4.508 4.640 0.000 0.000 0.193 -340 D C 1.979 178.189 176.300 -0.150 0.000 0.989 -340 D CA 2.064 56.024 54.000 -0.066 0.000 0.831 -340 D CB -0.546 40.259 40.800 0.009 0.000 0.979 -340 D HN 0.343 nan 8.370 nan 0.000 0.449 -339 T N -3.523 110.841 114.554 -0.317 0.000 3.081 -339 T HA 0.333 4.683 4.350 0.000 0.000 0.250 -339 T C 1.665 176.264 174.700 -0.169 0.000 1.100 -339 T CA 0.698 62.613 62.100 -0.308 0.000 1.038 -339 T CB 0.373 68.889 68.868 -0.586 0.000 0.962 -339 T HN 0.283 nan 8.240 nan 0.000 0.516 -338 G N 1.687 110.416 108.800 -0.118 0.000 2.168 -338 G HA2 -0.198 3.762 3.960 0.000 0.000 0.263 -338 G HA3 -0.198 3.762 3.960 0.000 0.000 0.263 -338 G C 0.055 174.942 174.900 -0.021 0.000 0.977 -338 G CA 0.132 45.202 45.100 -0.050 0.000 0.659 -338 G HN 0.579 nan 8.290 nan 0.000 0.533 -337 I N 1.325 121.884 120.570 -0.019 0.000 2.291 -337 I HA 0.210 4.380 4.170 0.000 0.000 0.292 -337 I C 0.962 177.155 176.117 0.127 0.000 1.064 -337 I CA -0.922 60.426 61.300 0.079 0.000 1.269 -337 I CB 0.967 39.083 38.000 0.193 0.000 1.418 -337 I HN 0.185 nan 8.210 nan 0.000 0.485 -336 K N 5.900 126.338 120.400 0.064 0.000 2.430 -336 K HA 0.152 4.472 4.320 0.000 0.000 0.280 -336 K C -0.854 175.756 176.600 0.016 0.000 1.063 -336 K CA 0.040 56.353 56.287 0.043 0.000 1.071 -336 K CB 0.447 32.961 32.500 0.022 0.000 0.899 -336 K HN 0.369 nan 8.250 nan 0.000 0.473 -335 V N 4.929 124.842 119.914 -0.001 0.000 2.370 -335 V HA 0.178 4.298 4.120 0.000 0.000 0.283 -335 V C -0.285 175.774 176.094 -0.059 0.000 1.023 -335 V CA -0.633 61.602 62.300 -0.107 0.000 0.857 -335 V CB 1.687 33.367 31.823 -0.239 0.000 0.985 -335 V HN 0.816 nan 8.190 nan 0.000 0.443 -334 T N 4.786 119.307 114.554 -0.054 0.000 2.771 -334 T HA 0.529 4.879 4.350 0.000 0.000 0.281 -334 T C -0.278 174.436 174.700 0.023 0.000 0.982 -334 T CA -0.376 61.725 62.100 0.001 0.000 0.978 -334 T CB 1.566 70.445 68.868 0.018 0.000 0.930 -334 T HN 0.311 nan 8.240 nan 0.000 0.447 -333 V N 4.077 124.027 119.914 0.060 0.000 2.370 -333 V HA 0.417 4.537 4.120 0.000 0.000 0.283 -333 V C 0.140 176.300 176.094 0.110 0.000 1.023 -333 V CA -0.653 61.710 62.300 0.104 0.000 0.857 -333 V CB 1.265 33.162 31.823 0.123 0.000 0.985 -333 V HN 0.844 nan 8.190 nan 0.000 0.443 -332 E N 2.422 122.698 120.200 0.126 0.000 2.263 -332 E HA 0.620 4.970 4.350 0.000 0.000 0.264 -332 E C -1.058 175.469 176.600 -0.123 0.000 0.923 -332 E CA -0.812 55.563 56.400 -0.042 0.000 0.802 -332 E CB 1.923 31.589 29.700 -0.056 0.000 1.228 -332 E HN 0.983 nan 8.360 nan 0.000 0.417 -331 H N -0.554 118.295 119.070 -0.369 0.000 2.488 -331 H HA 0.413 4.970 4.556 0.001 0.000 0.237 -331 H C -2.757 172.328 175.328 -0.404 0.000 1.395 -331 H CA -2.239 53.560 56.048 -0.414 0.000 1.491 -331 H CB -0.224 29.178 29.762 -0.600 0.000 1.567 -331 H HN 0.156 nan 8.280 nan 0.000 0.508 -330 P HA 0.089 nan 4.420 nan 0.000 0.274 -330 P C 0.021 177.138 177.300 -0.305 0.000 1.237 -330 P CA -0.369 62.422 63.100 -0.514 0.000 0.793 -330 P CB 0.909 32.132 31.700 -0.795 0.000 0.977 -329 D N 1.472 121.735 120.400 -0.228 0.000 2.414 -329 D HA 0.020 4.661 4.640 0.000 0.000 0.242 -329 D C 0.312 176.529 176.300 -0.137 0.000 1.129 -329 D CA 0.288 54.206 54.000 -0.138 0.000 0.885 -329 D CB 0.269 41.006 40.800 -0.105 0.000 1.198 -329 D HN 0.337 nan 8.370 nan 0.000 0.437 -328 K N 0.755 121.105 120.400 -0.083 0.000 3.096 -328 K HA -0.229 4.091 4.320 0.000 0.000 0.266 -328 K C 1.212 177.729 176.600 -0.139 0.000 1.043 -328 K CA 0.040 56.273 56.287 -0.089 0.000 0.758 -328 K CB -1.334 31.123 32.500 -0.071 0.000 1.260 -328 K HN 0.376 nan 8.250 nan 0.000 0.481 -327 L N 0.275 121.409 121.223 -0.148 0.000 2.141 -327 L HA -0.118 4.223 4.340 0.000 0.000 0.209 -327 L C 2.225 179.023 176.870 -0.121 0.000 1.094 -327 L CA 2.022 56.779 54.840 -0.139 0.000 0.763 -327 L CB -0.303 41.713 42.059 -0.071 0.000 0.908 -327 L HN 0.347 nan 8.230 nan 0.000 0.437 -326 E N 0.349 120.264 120.200 -0.474 0.000 2.409 -326 E HA -0.239 4.112 4.350 0.000 0.000 0.198 -326 E C 1.444 177.945 176.600 -0.165 0.000 1.024 -326 E CA 1.510 57.559 56.400 -0.586 0.000 0.861 -326 E CB -0.222 28.566 29.700 -1.520 0.000 0.788 -326 E HN 0.828 nan 8.360 nan 0.000 0.521 -325 E N 0.396 120.526 120.200 -0.117 0.000 2.244 -325 E HA 0.088 4.438 4.350 0.000 0.000 0.196 -325 E C 1.919 178.525 176.600 0.009 0.000 0.939 -325 E CA 0.035 56.414 56.400 -0.035 0.000 0.884 -325 E CB 0.314 29.983 29.700 -0.052 0.000 0.850 -325 E HN 0.129 nan 8.360 nan 0.000 0.481 -324 K N 0.405 120.819 120.400 0.024 0.000 2.097 -324 K HA -0.116 4.204 4.320 0.000 0.000 0.205 -324 K C 1.938 178.650 176.600 0.187 0.000 1.050 -324 K CA 0.893 57.230 56.287 0.083 0.000 0.938 -324 K CB -0.160 32.367 32.500 0.045 0.000 0.718 -324 K HN 0.044 nan 8.250 nan 0.000 0.442 -323 F N 3.253 123.274 119.950 0.119 0.000 2.065 -323 F HA -0.172 4.355 4.527 0.001 0.000 0.298 -323 F C -1.103 174.561 175.800 -0.228 0.000 1.112 -323 F CA 1.358 59.328 58.000 -0.049 0.000 1.212 -323 F CB -0.967 37.880 39.000 -0.256 0.000 0.975 -323 F HN -0.004 nan 8.300 nan 0.000 0.476 -322 P HA -0.154 nan 4.420 nan 0.000 0.223 -322 P C 1.249 178.393 177.300 -0.259 0.000 1.151 -322 P CA 1.533 64.424 63.100 -0.349 0.000 0.787 -322 P CB -0.186 31.508 31.700 -0.010 0.000 0.788 -321 Q N 0.023 119.728 119.800 -0.158 0.000 1.990 -321 Q HA -0.098 4.243 4.340 0.000 0.000 0.200 -321 Q C 2.309 178.219 176.000 -0.150 0.000 0.980 -321 Q CA 2.125 57.859 55.803 -0.116 0.000 0.832 -321 Q CB -0.594 28.110 28.738 -0.057 0.000 0.897 -321 Q HN 0.198 nan 8.270 nan 0.000 0.427 -320 V N -2.405 117.414 119.914 -0.159 0.000 2.488 -320 V HA 0.031 4.151 4.120 0.000 0.000 0.246 -320 V C 2.056 177.973 176.094 -0.295 0.000 1.046 -320 V CA 1.446 63.648 62.300 -0.163 0.000 1.053 -320 V CB -0.978 30.815 31.823 -0.050 0.000 0.679 -320 V HN 0.278 nan 8.190 nan 0.000 0.458 -319 A N 0.885 123.388 122.820 -0.529 0.000 2.019 -319 A HA 0.110 4.430 4.320 0.000 0.000 0.219 -319 A C 2.433 179.772 177.584 -0.408 0.000 1.164 -319 A CA 1.944 53.595 52.037 -0.644 0.000 0.644 -319 A CB -1.007 17.209 19.000 -1.306 0.000 0.805 -319 A HN 1.050 nan 8.150 nan 0.000 0.449 -318 A N -0.337 122.285 122.820 -0.330 0.000 2.131 -318 A HA -0.046 4.274 4.320 0.000 0.000 0.220 -318 A C 2.026 179.521 177.584 -0.148 0.000 1.158 -318 A CA 2.101 54.017 52.037 -0.203 0.000 0.665 -318 A CB -0.866 18.042 19.000 -0.154 0.000 0.795 -318 A HN 0.832 nan 8.150 nan 0.000 0.460 -317 T N -5.377 109.084 114.554 -0.155 0.000 3.085 -317 T HA 0.448 4.799 4.350 0.000 0.000 0.264 -317 T C 1.018 175.652 174.700 -0.110 0.000 1.019 -317 T CA 0.873 62.907 62.100 -0.110 0.000 0.910 -317 T CB 0.118 68.932 68.868 -0.090 0.000 1.059 -317 T HN 1.695 nan 8.240 nan 0.000 0.542 -316 G N 0.981 109.697 108.800 -0.141 0.000 2.212 -316 G HA2 -0.154 3.806 3.960 0.000 0.000 0.255 -316 G HA3 -0.154 3.806 3.960 0.000 0.000 0.255 -316 G C -0.518 174.301 174.900 -0.136 0.000 1.062 -316 G CA 0.117 45.140 45.100 -0.128 0.000 0.815 -316 G HN 0.685 nan 8.290 nan 0.000 0.497 -315 D N -0.956 119.337 120.400 -0.180 0.000 2.592 -315 D HA 0.680 5.320 4.640 0.000 0.000 0.263 -315 D C 0.671 176.815 176.300 -0.259 0.000 1.132 -315 D CA 1.026 54.923 54.000 -0.171 0.000 0.996 -315 D CB 1.843 42.570 40.800 -0.122 0.000 1.442 -315 D HN 1.417 nan 8.370 nan 0.000 0.486 -314 G N 0.837 109.485 108.800 -0.253 0.000 2.472 -314 G HA2 -0.084 3.877 3.960 0.000 0.000 0.205 -314 G HA3 -0.084 3.877 3.960 0.000 0.000 0.205 -314 G C -2.786 171.779 174.900 -0.559 0.000 1.270 -314 G CA -0.499 44.317 45.100 -0.473 0.000 0.974 -314 G HN 0.445 nan 8.290 nan 0.000 0.542 -313 P HA 0.336 nan 4.420 nan 0.000 0.276 -313 P C -0.087 177.005 177.300 -0.347 0.000 1.252 -313 P CA -0.142 62.530 63.100 -0.713 0.000 0.802 -313 P CB 1.007 32.064 31.700 -1.073 0.000 1.035 -312 D N 0.025 120.279 120.400 -0.242 0.000 2.162 -312 D HA 0.065 4.705 4.640 0.000 0.000 0.203 -312 D C 0.719 176.936 176.300 -0.138 0.000 0.967 -312 D CA 1.365 55.270 54.000 -0.158 0.000 0.840 -312 D CB 0.342 41.059 40.800 -0.138 0.000 0.972 -312 D HN 0.350 nan 8.370 nan 0.000 0.482 -311 I N 0.892 121.369 120.570 -0.155 0.000 2.608 -311 I HA 0.352 4.522 4.170 0.000 0.000 0.295 -311 I C -0.583 175.441 176.117 -0.155 0.000 1.049 -311 I CA -0.754 60.465 61.300 -0.135 0.000 1.063 -311 I CB 3.310 41.264 38.000 -0.077 0.000 1.248 -311 I HN -0.196 nan 8.210 nan 0.000 0.424 -310 I N 4.606 125.024 120.570 -0.253 0.000 2.509 -310 I HA 0.471 4.641 4.170 0.000 0.000 0.293 -310 I C -1.580 174.497 176.117 -0.068 0.000 1.020 -310 I CA -0.567 60.609 61.300 -0.206 0.000 1.088 -310 I CB 1.987 39.539 38.000 -0.747 0.000 1.267 -310 I HN 0.391 nan 8.210 nan 0.000 0.430 -309 F N 7.400 127.489 119.950 0.232 0.000 2.444 -309 F HA 0.514 5.042 4.527 0.000 0.000 0.342 -309 F C -0.379 175.699 175.800 0.463 0.000 1.121 -309 F CA -0.120 58.062 58.000 0.303 0.000 0.997 -309 F CB 1.303 40.414 39.000 0.185 0.000 1.130 -309 F HN 0.415 nan 8.300 nan 0.000 0.454 -308 W N 1.863 123.366 121.300 0.338 0.000 2.989 -308 W HA 0.620 5.280 4.660 0.001 0.000 0.344 -308 W C -1.350 175.158 176.519 -0.019 0.000 1.233 -308 W CA -1.286 56.180 57.345 0.202 0.000 1.187 -308 W CB 1.510 31.184 29.460 0.357 0.000 1.443 -308 W HN 0.592 nan 8.180 nan 0.000 0.573 -307 A N 2.381 124.992 122.820 -0.348 0.000 2.498 -307 A HA 0.033 4.353 4.320 0.000 0.000 0.239 -307 A C 1.392 178.930 177.584 -0.077 0.000 1.068 -307 A CA 0.862 52.779 52.037 -0.201 0.000 0.766 -307 A CB -0.130 18.681 19.000 -0.315 0.000 1.003 -307 A HN 0.771 nan 8.150 nan 0.000 0.497 -306 H N 1.871 120.785 119.070 -0.259 0.000 2.489 -306 H HA -0.185 4.372 4.556 0.001 0.000 0.295 -306 H C 1.079 176.373 175.328 -0.056 0.000 1.082 -306 H CA 1.567 57.416 56.048 -0.331 0.000 1.295 -306 H CB -0.463 29.158 29.762 -0.235 0.000 1.380 -306 H HN 0.834 nan 8.280 nan 0.000 0.548 -305 D N 1.452 121.537 120.400 -0.525 0.000 2.182 -305 D HA -0.188 4.452 4.640 0.000 0.000 0.201 -305 D C 1.834 178.069 176.300 -0.109 0.000 0.986 -305 D CA 0.624 54.418 54.000 -0.344 0.000 0.847 -305 D CB -0.327 40.337 40.800 -0.228 0.000 0.942 -305 D HN 0.327 nan 8.370 nan 0.000 0.467 -304 R N -0.733 119.764 120.500 -0.005 0.000 2.200 -304 R HA 0.049 4.389 4.340 0.000 0.000 0.208 -304 R C 2.008 177.982 176.300 -0.542 0.000 1.033 -304 R CA 0.057 55.980 56.100 -0.294 0.000 1.000 -304 R CB -0.476 29.555 30.300 -0.448 0.000 0.906 -304 R HN 0.231 nan 8.270 nan 0.000 0.462 -303 F N 0.644 120.351 119.950 -0.405 0.000 2.234 -303 F HA 0.009 4.536 4.527 0.001 0.000 0.299 -303 F C 2.482 178.125 175.800 -0.261 0.000 1.087 -303 F CA 1.043 58.911 58.000 -0.219 0.000 1.340 -303 F CB -0.992 38.015 39.000 0.012 0.000 1.031 -303 F HN 0.099 nan 8.300 nan 0.000 0.500 -302 G N -0.160 108.512 108.800 -0.214 0.000 2.446 -302 G HA2 -0.207 3.754 3.960 0.000 0.000 0.217 -302 G HA3 -0.207 3.754 3.960 0.000 0.000 0.217 -302 G C 2.115 176.657 174.900 -0.596 0.000 1.168 -302 G CA 0.867 45.561 45.100 -0.676 0.000 0.771 -302 G HN 0.492 nan 8.290 nan 0.000 0.551 -301 G N -0.281 108.286 108.800 -0.389 0.000 2.450 -301 G HA2 -0.197 3.764 3.960 0.000 0.000 0.220 -301 G HA3 -0.197 3.764 3.960 0.000 0.000 0.220 -301 G C 1.626 176.475 174.900 -0.085 0.000 1.130 -301 G CA 1.101 46.051 45.100 -0.250 0.000 0.760 -301 G HN 0.406 nan 8.290 nan 0.000 0.557 -300 Y N 1.044 121.276 120.300 -0.113 0.000 2.184 -300 Y HA 0.172 4.722 4.550 0.000 0.000 0.290 -300 Y C 3.091 178.959 175.900 -0.054 0.000 1.129 -300 Y CA 0.026 58.083 58.100 -0.072 0.000 1.144 -300 Y CB -1.139 37.254 38.460 -0.113 0.000 0.995 -300 Y HN 0.250 nan 8.280 nan 0.000 0.513 -299 A N -0.211 122.662 122.820 0.087 0.000 1.933 -299 A HA -0.198 4.122 4.320 0.000 0.000 0.218 -299 A C 2.238 179.908 177.584 0.144 0.000 1.175 -299 A CA 1.492 53.598 52.037 0.116 0.000 0.628 -299 A CB -0.598 18.501 19.000 0.164 0.000 0.814 -299 A HN 0.331 nan 8.150 nan 0.000 0.444 -298 Q N 0.288 120.143 119.800 0.091 0.000 2.096 -298 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 -298 Q C 2.083 178.143 176.000 0.099 0.000 0.982 -298 Q CA 1.948 57.844 55.803 0.155 0.000 0.850 -298 Q CB -0.408 28.382 28.738 0.086 0.000 0.901 -298 Q HN 0.636 nan 8.270 nan 0.000 0.422 -297 S N -0.939 114.802 115.700 0.069 0.000 2.607 -297 S HA 0.144 4.614 4.470 0.000 0.000 0.224 -297 S C 1.057 175.675 174.600 0.030 0.000 0.969 -297 S CA 0.583 58.810 58.200 0.045 0.000 0.927 -297 S CB 0.168 63.388 63.200 0.034 0.000 0.772 -297 S HN 0.587 nan 8.310 nan 0.000 0.533 -296 G N 1.409 110.240 108.800 0.052 0.000 2.198 -296 G HA2 -0.243 3.718 3.960 0.000 0.000 0.257 -296 G HA3 -0.243 3.718 3.960 0.000 0.000 0.257 -296 G C 0.426 175.329 174.900 0.005 0.000 1.042 -296 G CA 0.382 45.504 45.100 0.037 0.000 0.791 -296 G HN 0.532 nan 8.290 nan 0.000 0.502 -295 L N -1.298 119.929 121.223 0.006 0.000 2.513 -295 L HA 0.387 4.728 4.340 0.000 0.000 0.222 -295 L C 1.377 178.254 176.870 0.012 0.000 1.096 -295 L CA 0.240 55.048 54.840 -0.053 0.000 0.857 -295 L CB 0.055 42.024 42.059 -0.151 0.000 1.026 -295 L HN 0.212 nan 8.230 nan 0.000 0.469 -294 L N 0.488 121.743 121.223 0.054 0.000 2.295 -294 L HA 0.551 4.892 4.340 0.000 0.000 0.285 -294 L C 0.349 177.251 176.870 0.052 0.000 1.035 -294 L CA -0.611 54.262 54.840 0.054 0.000 0.806 -294 L CB 1.580 43.678 42.059 0.065 0.000 1.214 -294 L HN -0.060 nan 8.230 nan 0.000 0.426 -293 A N 2.707 125.552 122.820 0.042 0.000 2.425 -293 A HA 0.169 4.489 4.320 0.000 0.000 0.249 -293 A C 0.123 177.738 177.584 0.052 0.000 1.084 -293 A CA -0.279 51.782 52.037 0.041 0.000 0.781 -293 A CB 0.289 19.310 19.000 0.035 0.000 1.019 -293 A HN 0.787 nan 8.150 nan 0.000 0.490 -292 E N 1.012 121.239 120.200 0.046 0.000 2.376 -292 E HA 0.291 4.641 4.350 0.000 0.000 0.266 -292 E C -0.278 176.337 176.600 0.024 0.000 1.009 -292 E CA -0.146 56.277 56.400 0.039 0.000 0.902 -292 E CB 0.269 29.989 29.700 0.033 0.000 0.972 -292 E HN 0.558 nan 8.360 nan 0.000 0.439 -291 I N 1.158 121.723 120.570 -0.008 0.000 2.499 -291 I HA 0.368 4.538 4.170 0.000 0.000 0.296 -291 I C 0.037 176.130 176.117 -0.040 0.000 0.992 -291 I CA -0.550 60.723 61.300 -0.045 0.000 1.297 -291 I CB 1.799 39.634 38.000 -0.275 0.000 1.410 -291 I HN 0.317 nan 8.210 nan 0.000 0.507 -290 T N 2.004 116.564 114.554 0.010 0.000 3.514 -290 T HA 0.466 4.817 4.350 0.000 0.000 0.259 -290 T C -2.378 172.336 174.700 0.025 0.000 1.466 -290 T CA -1.226 60.876 62.100 0.004 0.000 1.562 -290 T CB -0.198 68.679 68.868 0.015 0.000 0.924 -290 T HN 0.564 nan 8.240 nan 0.000 0.678 -289 P HA 0.338 nan 4.420 nan 0.000 0.279 -289 P C -0.349 176.973 177.300 0.036 0.000 1.239 -289 P CA -0.253 62.896 63.100 0.081 0.000 0.789 -289 P CB 0.968 32.833 31.700 0.276 0.000 0.933 -288 D N 1.286 121.726 120.400 0.068 0.000 2.384 -288 D HA 0.021 4.661 4.640 0.000 0.000 0.244 -288 D C 1.233 177.564 176.300 0.051 0.000 1.251 -288 D CA -0.405 53.624 54.000 0.047 0.000 0.961 -288 D CB 0.543 41.374 40.800 0.052 0.000 1.116 -288 D HN 0.155 nan 8.370 nan 0.000 0.484 -287 K N 0.465 120.873 120.400 0.014 0.000 2.034 -287 K HA -0.235 4.086 4.320 0.000 0.000 0.214 -287 K C 1.966 178.587 176.600 0.034 0.000 1.051 -287 K CA 2.333 58.618 56.287 -0.003 0.000 0.931 -287 K CB -0.950 31.547 32.500 -0.006 0.000 0.715 -287 K HN 0.490 nan 8.250 nan 0.000 0.446 -286 A N -0.387 122.473 122.820 0.067 0.000 1.940 -286 A HA -0.154 4.166 4.320 0.000 0.000 0.219 -286 A C 2.234 179.897 177.584 0.131 0.000 1.176 -286 A CA 1.708 53.794 52.037 0.083 0.000 0.631 -286 A CB -0.884 18.166 19.000 0.084 0.000 0.814 -286 A HN 0.536 nan 8.150 nan 0.000 0.446 -285 F N 0.239 120.217 119.950 0.048 0.000 2.293 -285 F HA -0.094 4.434 4.527 0.000 0.000 0.297 -285 F C 2.495 178.404 175.800 0.181 0.000 1.089 -285 F CA 1.631 59.697 58.000 0.110 0.000 1.377 -285 F CB -0.073 39.013 39.000 0.144 0.000 1.051 -285 F HN 0.284 nan 8.300 nan 0.000 0.511 -284 Q N -0.128 119.754 119.800 0.136 0.000 2.167 -284 Q HA -0.181 4.160 4.340 0.000 0.000 0.202 -284 Q C 1.467 177.521 176.000 0.090 0.000 0.970 -284 Q CA 1.431 57.245 55.803 0.018 0.000 0.855 -284 Q CB -0.209 28.336 28.738 -0.321 0.000 0.911 -284 Q HN 0.381 nan 8.270 nan 0.000 0.438 -283 D N 0.889 121.299 120.400 0.018 0.000 2.218 -283 D HA -0.112 4.529 4.640 0.000 0.000 0.204 -283 D C 1.318 177.588 176.300 -0.050 0.000 0.976 -283 D CA 1.035 55.036 54.000 0.002 0.000 0.853 -283 D CB -0.002 40.795 40.800 -0.004 0.000 0.939 -283 D HN 0.182 nan 8.370 nan 0.000 0.481 -282 K N -0.290 120.043 120.400 -0.112 0.000 2.288 -282 K HA 0.049 4.369 4.320 0.000 0.000 0.201 -282 K C 0.629 177.076 176.600 -0.256 0.000 1.048 -282 K CA 0.447 56.608 56.287 -0.210 0.000 0.956 -282 K CB 0.356 32.659 32.500 -0.328 0.000 0.746 -282 K HN 0.149 nan 8.250 nan 0.000 0.461 -281 L N 0.523 121.657 121.223 -0.148 0.000 2.334 -281 L HA 0.324 4.664 4.340 0.000 0.000 0.273 -281 L C -0.353 176.450 176.870 -0.112 0.000 1.013 -281 L CA -1.358 53.361 54.840 -0.203 0.000 0.816 -281 L CB 0.732 42.627 42.059 -0.274 0.000 1.278 -281 L HN -0.084 nan 8.230 nan 0.000 0.431 -280 Y N 1.790 122.029 120.300 -0.102 0.000 2.620 -280 Y HA 0.016 4.566 4.550 0.000 0.000 0.330 -280 Y C -1.399 174.500 175.900 -0.002 0.000 1.186 -280 Y CA -1.086 56.991 58.100 -0.038 0.000 1.467 -280 Y CB -0.040 38.353 38.460 -0.113 0.000 1.262 -280 Y HN 0.437 nan 8.280 nan 0.000 0.550 -279 P HA -0.245 nan 4.420 nan 0.000 0.216 -279 P C 1.464 178.927 177.300 0.272 0.000 1.153 -279 P CA 1.698 65.005 63.100 0.346 0.000 0.858 -279 P CB -0.131 31.736 31.700 0.279 0.000 0.789 -278 F N -0.154 119.892 119.950 0.160 0.000 2.365 -278 F HA -0.109 4.418 4.527 0.000 0.000 0.300 -278 F C 1.771 177.585 175.800 0.024 0.000 1.090 -278 F CA 1.555 59.601 58.000 0.077 0.000 1.408 -278 F CB -2.147 36.869 39.000 0.028 0.000 1.060 -278 F HN -0.096 nan 8.300 nan 0.000 0.534 -277 T N -3.581 110.516 114.554 -0.760 0.000 2.942 -277 T HA -0.139 4.211 4.350 0.000 0.000 0.265 -277 T C 1.573 176.048 174.700 -0.376 0.000 1.062 -277 T CA 0.909 62.599 62.100 -0.683 0.000 1.139 -277 T CB -1.118 67.285 68.868 -0.775 0.000 0.883 -277 T HN 0.561 nan 8.240 nan 0.000 0.468 -276 W N 2.057 123.268 121.300 -0.148 0.000 2.388 -276 W HA 0.056 4.716 4.660 0.000 0.000 0.294 -276 W C 2.140 178.634 176.519 -0.041 0.000 1.212 -276 W CA 0.336 57.640 57.345 -0.068 0.000 1.271 -276 W CB -0.163 29.280 29.460 -0.027 0.000 1.126 -276 W HN 0.186 nan 8.180 nan 0.000 0.535 -275 D N 0.187 120.708 120.400 0.201 0.000 2.158 -275 D HA -0.195 4.445 4.640 0.000 0.000 0.197 -275 D C 2.152 178.505 176.300 0.087 0.000 0.995 -275 D CA 1.871 55.959 54.000 0.147 0.000 0.846 -275 D CB -0.784 40.105 40.800 0.148 0.000 0.941 -275 D HN 0.150 nan 8.370 nan 0.000 0.456 -274 A N 0.390 123.191 122.820 -0.032 0.000 2.119 -274 A HA -0.042 4.278 4.320 0.000 0.000 0.217 -274 A C 2.038 179.576 177.584 -0.076 0.000 1.153 -274 A CA 1.133 53.052 52.037 -0.196 0.000 0.692 -274 A CB -0.139 18.498 19.000 -0.606 0.000 0.799 -274 A HN 0.239 nan 8.150 nan 0.000 0.458 -273 V N -3.442 116.479 119.914 0.011 0.000 3.376 -273 V HA 0.362 4.482 4.120 0.000 0.000 0.313 -273 V C 0.535 176.742 176.094 0.189 0.000 1.393 -273 V CA -0.290 62.066 62.300 0.093 0.000 1.125 -273 V CB -0.765 31.087 31.823 0.047 0.000 1.037 -273 V HN 0.376 nan 8.190 nan 0.000 0.440 -272 R N 0.969 121.585 120.500 0.195 0.000 2.202 -272 R HA 0.423 4.763 4.340 0.000 0.000 0.334 -272 R C -1.587 174.873 176.300 0.267 0.000 1.036 -272 R CA -0.633 55.587 56.100 0.200 0.000 0.878 -272 R CB 0.752 31.145 30.300 0.155 0.000 1.067 -272 R HN 0.489 nan 8.270 nan 0.000 0.457 -271 Y N 4.885 125.247 120.300 0.103 0.000 2.331 -271 Y HA 0.207 4.757 4.550 0.000 0.000 0.334 -271 Y C -0.173 175.771 175.900 0.073 0.000 0.960 -271 Y CA -1.012 57.145 58.100 0.094 0.000 1.130 -271 Y CB 0.981 39.503 38.460 0.104 0.000 1.164 -271 Y HN 0.883 nan 8.280 nan 0.000 0.458 -270 N N 4.174 122.605 118.700 -0.447 0.000 2.747 -270 N HA -0.251 4.489 4.740 0.000 0.000 0.249 -270 N C 0.924 176.362 175.510 -0.119 0.000 1.107 -270 N CA 0.847 53.695 53.050 -0.337 0.000 0.707 -270 N CB -0.897 37.352 38.487 -0.396 0.000 1.054 -270 N HN 1.255 nan 8.380 nan 0.000 0.555 -269 G N -0.467 108.304 108.800 -0.049 0.000 2.284 -269 G HA2 -0.367 3.593 3.960 0.000 0.000 0.261 -269 G HA3 -0.367 3.593 3.960 0.000 0.000 0.261 -269 G C 0.105 175.010 174.900 0.009 0.000 0.997 -269 G CA 1.095 46.189 45.100 -0.009 0.000 0.621 -269 G HN 0.463 nan 8.290 nan 0.000 0.534 -268 K N 0.357 120.769 120.400 0.021 0.000 2.174 -268 K HA 0.594 4.914 4.320 0.000 0.000 0.275 -268 K C 0.398 177.049 176.600 0.085 0.000 1.015 -268 K CA -0.574 55.738 56.287 0.043 0.000 0.933 -268 K CB 1.162 33.695 32.500 0.055 0.000 1.025 -268 K HN 0.203 nan 8.250 nan 0.000 0.463 -267 L N 4.762 126.020 121.223 0.058 0.000 2.290 -267 L HA 0.233 4.574 4.340 0.000 0.000 0.284 -267 L C 0.939 177.863 176.870 0.090 0.000 1.078 -267 L CA -0.104 54.789 54.840 0.087 0.000 0.815 -267 L CB 0.380 42.457 42.059 0.031 0.000 1.162 -267 L HN 0.688 nan 8.230 nan 0.000 0.435 -266 I N 0.089 120.747 120.570 0.147 0.000 4.154 -266 I HA 0.640 4.810 4.170 0.000 0.000 0.334 -266 I C 0.407 176.641 176.117 0.197 0.000 1.371 -266 I CA -0.149 61.252 61.300 0.168 0.000 1.110 -266 I CB 0.587 38.728 38.000 0.236 0.000 1.085 -266 I HN 0.471 nan 8.210 nan 0.000 0.398 -265 A N -0.011 122.891 122.820 0.137 0.000 2.597 -265 A HA 0.683 5.003 4.320 0.000 0.000 0.292 -265 A C -1.971 175.595 177.584 -0.030 0.000 1.057 -265 A CA -0.473 51.639 52.037 0.125 0.000 0.674 -265 A CB 0.524 19.691 19.000 0.277 0.000 1.278 -265 A HN 0.130 nan 8.150 nan 0.000 0.416 -264 Y N 0.977 121.326 120.300 0.081 0.000 2.327 -264 Y HA 0.456 5.006 4.550 0.000 0.000 0.336 -264 Y C -2.113 173.675 175.900 -0.187 0.000 1.035 -264 Y CA -1.721 56.370 58.100 -0.014 0.000 1.165 -264 Y CB 1.014 39.517 38.460 0.070 0.000 1.181 -264 Y HN 0.388 nan 8.280 nan 0.000 0.494 -263 P HA 0.104 nan 4.420 nan 0.000 0.276 -263 P C -0.089 177.107 177.300 -0.173 0.000 1.230 -263 P CA 0.071 62.987 63.100 -0.305 0.000 0.776 -263 P CB 1.216 32.582 31.700 -0.557 0.000 0.888 -262 I N 0.865 121.389 120.570 -0.077 0.000 3.366 -262 I HA 0.407 4.577 4.170 0.000 0.000 0.267 -262 I C 0.852 176.973 176.117 0.007 0.000 1.149 -262 I CA 0.294 61.606 61.300 0.020 0.000 1.436 -262 I CB -0.936 37.156 38.000 0.153 0.000 1.379 -262 I HN 0.313 nan 8.210 nan 0.000 0.460 -261 A N 0.490 123.308 122.820 -0.004 0.000 2.605 -261 A HA 0.627 4.948 4.320 0.000 0.000 0.294 -261 A C -1.276 176.318 177.584 0.016 0.000 1.062 -261 A CA -0.385 51.663 52.037 0.018 0.000 0.682 -261 A CB 1.314 20.348 19.000 0.056 0.000 1.278 -261 A HN -0.165 nan 8.150 nan 0.000 0.410 -260 V N 1.946 121.887 119.914 0.045 0.000 2.406 -260 V HA 0.363 4.483 4.120 0.000 0.000 0.272 -260 V C -0.091 176.073 176.094 0.116 0.000 1.043 -260 V CA -0.022 62.334 62.300 0.093 0.000 0.915 -260 V CB 0.830 32.744 31.823 0.153 0.000 0.988 -260 V HN 0.843 nan 8.190 nan 0.000 0.466 -259 E N 3.728 124.021 120.200 0.155 0.000 2.158 -259 E HA 0.780 5.130 4.350 0.000 0.000 0.271 -259 E C -0.482 176.256 176.600 0.230 0.000 0.911 -259 E CA -0.580 55.941 56.400 0.202 0.000 0.767 -259 E CB 2.211 32.111 29.700 0.333 0.000 1.120 -259 E HN 0.769 nan 8.360 nan 0.000 0.405 -258 A N 3.334 126.252 122.820 0.163 0.000 2.435 -258 A HA 0.547 4.867 4.320 0.000 0.000 0.304 -258 A C -0.636 176.991 177.584 0.072 0.000 1.064 -258 A CA -0.779 51.349 52.037 0.153 0.000 0.727 -258 A CB 0.821 19.896 19.000 0.125 0.000 1.284 -258 A HN 0.603 nan 8.150 nan 0.000 0.415 -257 L N 1.485 122.728 121.223 0.032 0.000 2.461 -257 L HA 0.352 4.692 4.340 0.000 0.000 0.272 -257 L C 0.504 177.378 176.870 0.006 0.000 1.197 -257 L CA 0.259 55.085 54.840 -0.024 0.000 0.836 -257 L CB 0.898 42.899 42.059 -0.096 0.000 1.105 -257 L HN 0.747 nan 8.230 nan 0.000 0.477 -256 S N 1.742 117.451 115.700 0.016 0.000 2.667 -256 S HA 0.525 4.995 4.470 0.000 0.000 0.292 -256 S C -0.932 173.670 174.600 0.003 0.000 1.126 -256 S CA -0.720 57.502 58.200 0.036 0.000 0.881 -256 S CB 1.964 65.228 63.200 0.106 0.000 1.132 -256 S HN 0.361 nan 8.310 nan 0.000 0.492 -255 L N 2.208 123.424 121.223 -0.012 0.000 2.361 -255 L HA 0.486 4.826 4.340 0.000 0.000 0.278 -255 L C -1.181 175.721 176.870 0.053 0.000 1.113 -255 L CA 0.347 55.168 54.840 -0.032 0.000 0.849 -255 L CB -0.376 41.635 42.059 -0.079 0.000 1.155 -255 L HN 0.514 nan 8.230 nan 0.000 0.452 -254 I N 6.509 127.069 120.570 -0.018 0.000 2.377 -254 I HA 0.377 4.547 4.170 0.000 0.000 0.293 -254 I C -0.959 175.185 176.117 0.045 0.000 0.987 -254 I CA -0.749 60.526 61.300 -0.043 0.000 1.185 -254 I CB 1.184 39.009 38.000 -0.293 0.000 1.341 -254 I HN 0.613 nan 8.210 nan 0.000 0.455 -253 Y N 4.206 124.582 120.300 0.127 0.000 2.553 -253 Y HA 0.503 5.054 4.550 0.000 0.000 0.347 -253 Y C -0.912 175.234 175.900 0.410 0.000 1.019 -253 Y CA -1.462 56.808 58.100 0.284 0.000 1.032 -253 Y CB 0.950 39.472 38.460 0.105 0.000 1.284 -253 Y HN 0.443 nan 8.280 nan 0.000 0.466 -252 N N 2.911 121.828 118.700 0.361 0.000 2.406 -252 N HA 0.142 4.882 4.740 0.000 0.000 0.251 -252 N C 0.099 175.662 175.510 0.088 0.000 1.069 -252 N CA -0.043 53.046 53.050 0.065 0.000 0.947 -252 N CB 1.122 39.539 38.487 -0.117 0.000 1.111 -252 N HN 0.914 nan 8.380 nan 0.000 0.497 -251 K N 1.891 122.274 120.400 -0.029 0.000 2.288 -251 K HA -0.052 4.268 4.320 0.000 0.000 0.201 -251 K C 0.347 176.973 176.600 0.042 0.000 1.048 -251 K CA 0.840 57.149 56.287 0.036 0.000 0.956 -251 K CB 0.439 32.898 32.500 -0.068 0.000 0.746 -251 K HN 0.498 nan 8.250 nan 0.000 0.461 -250 D N 0.758 121.159 120.400 0.002 0.000 2.162 -250 D HA -0.049 4.592 4.640 0.000 0.000 0.205 -250 D C 1.882 178.186 176.300 0.008 0.000 0.964 -250 D CA 0.817 54.814 54.000 -0.004 0.000 0.847 -250 D CB 0.036 40.819 40.800 -0.028 0.000 0.988 -250 D HN 0.090 nan 8.370 nan 0.000 0.480 -249 L N -0.268 120.961 121.223 0.010 0.000 2.072 -249 L HA 0.037 4.377 4.340 0.000 0.000 0.205 -249 L C 0.863 177.761 176.870 0.047 0.000 1.079 -249 L CA 0.712 55.563 54.840 0.019 0.000 0.752 -249 L CB 0.183 42.247 42.059 0.008 0.000 0.906 -249 L HN -0.074 nan 8.230 nan 0.000 0.436 -248 L N -0.000 121.280 121.223 0.095 0.000 2.454 -248 L HA 0.227 4.567 4.340 0.000 0.000 0.258 -248 L C -1.863 175.098 176.870 0.152 0.000 1.025 -248 L CA -1.321 53.581 54.840 0.103 0.000 0.901 -248 L CB 1.954 44.085 42.059 0.119 0.000 1.210 -248 L HN -0.161 nan 8.230 nan 0.000 0.457 -247 P HA -0.026 nan 4.420 nan 0.000 0.221 -247 P C -0.117 177.217 177.300 0.056 0.000 1.150 -247 P CA 0.953 64.116 63.100 0.104 0.000 0.800 -247 P CB 0.264 31.991 31.700 0.046 0.000 0.787 -246 N N 0.438 119.123 118.700 -0.026 0.000 2.706 -246 N HA 0.218 4.958 4.740 0.000 0.000 0.240 -246 N C -2.571 172.822 175.510 -0.195 0.000 1.039 -246 N CA -1.618 51.365 53.050 -0.112 0.000 0.888 -246 N CB 0.559 39.001 38.487 -0.075 0.000 1.128 -246 N HN 0.143 nan 8.380 nan 0.000 0.512 -245 P HA 0.203 nan 4.420 nan 0.000 0.271 -245 P C -2.469 174.666 177.300 -0.275 0.000 1.218 -245 P CA -0.832 62.013 63.100 -0.424 0.000 0.780 -245 P CB 0.032 31.223 31.700 -0.848 0.000 0.901 -244 P HA 0.077 nan 4.420 nan 0.000 0.269 -244 P C 0.448 177.639 177.300 -0.182 0.000 1.209 -244 P CA -0.039 62.962 63.100 -0.165 0.000 0.776 -244 P CB 0.765 32.376 31.700 -0.149 0.000 0.876 -243 K N 0.207 120.526 120.400 -0.135 0.000 2.426 -243 K HA 0.085 4.405 4.320 0.000 0.000 0.193 -243 K C 0.935 177.470 176.600 -0.107 0.000 1.028 -243 K CA 0.704 56.919 56.287 -0.121 0.000 1.047 -243 K CB -0.125 32.322 32.500 -0.088 0.000 0.821 -243 K HN 0.702 nan 8.250 nan 0.000 0.513 -242 T N -4.539 109.953 114.554 -0.104 0.000 2.933 -242 T HA 0.264 4.615 4.350 0.000 0.000 0.305 -242 T C 0.389 175.062 174.700 -0.044 0.000 1.092 -242 T CA -0.878 61.194 62.100 -0.046 0.000 1.008 -242 T CB 0.735 69.600 68.868 -0.005 0.000 1.102 -242 T HN 0.094 nan 8.240 nan 0.000 0.469 -241 W N 1.178 122.443 121.300 -0.060 0.000 2.331 -241 W HA 0.004 4.664 4.660 0.001 0.000 0.291 -241 W C 2.042 178.580 176.519 0.032 0.000 1.214 -241 W CA 1.371 58.671 57.345 -0.076 0.000 1.228 -241 W CB -0.205 29.061 29.460 -0.323 0.000 1.135 -241 W HN 0.828 nan 8.180 nan 0.000 0.537 -240 E N 0.035 120.350 120.200 0.192 0.000 2.204 -240 E HA -0.190 4.160 4.350 0.000 0.000 0.195 -240 E C 1.619 178.360 176.600 0.234 0.000 0.990 -240 E CA 1.528 58.096 56.400 0.280 0.000 0.821 -240 E CB -0.389 29.397 29.700 0.143 0.000 0.750 -240 E HN 0.416 nan 8.360 nan 0.000 0.477 -239 E N 0.183 120.458 120.200 0.124 0.000 2.358 -239 E HA -0.058 4.292 4.350 0.000 0.000 0.195 -239 E C 1.794 178.426 176.600 0.052 0.000 1.010 -239 E CA 0.307 56.744 56.400 0.062 0.000 0.856 -239 E CB -0.074 29.629 29.700 0.005 0.000 0.795 -239 E HN 0.288 nan 8.360 nan 0.000 0.504 -238 I N 1.563 122.195 120.570 0.105 0.000 2.163 -238 I HA -0.214 3.956 4.170 0.000 0.000 0.243 -238 I C -0.706 175.377 176.117 -0.056 0.000 1.085 -238 I CA 1.159 62.496 61.300 0.061 0.000 1.347 -238 I CB -1.069 37.021 38.000 0.149 0.000 1.044 -238 I HN 0.056 nan 8.210 nan 0.000 0.408 -237 P HA -0.263 nan 4.420 nan 0.000 0.213 -237 P C 1.525 178.611 177.300 -0.356 0.000 1.176 -237 P CA 2.270 65.078 63.100 -0.486 0.000 0.919 -237 P CB -0.081 31.499 31.700 -0.201 0.000 0.791 -236 A N -1.060 121.690 122.820 -0.116 0.000 1.940 -236 A HA -0.192 4.128 4.320 0.000 0.000 0.219 -236 A C 2.146 179.706 177.584 -0.041 0.000 1.176 -236 A CA 1.532 53.540 52.037 -0.047 0.000 0.631 -236 A CB -1.677 17.320 19.000 -0.006 0.000 0.814 -236 A HN 0.160 nan 8.150 nan 0.000 0.446 -235 L N 0.214 121.409 121.223 -0.047 0.000 2.083 -235 L HA -0.135 4.205 4.340 0.000 0.000 0.209 -235 L C 1.801 178.660 176.870 -0.019 0.000 1.083 -235 L CA 2.651 57.475 54.840 -0.027 0.000 0.752 -235 L CB -0.788 41.255 42.059 -0.025 0.000 0.899 -235 L HN 0.475 nan 8.230 nan 0.000 0.433 -234 D N -0.817 119.552 120.400 -0.052 0.000 2.144 -234 D HA -0.222 4.418 4.640 0.000 0.000 0.200 -234 D C 2.257 178.592 176.300 0.058 0.000 0.978 -234 D CA 1.145 55.150 54.000 0.008 0.000 0.833 -234 D CB 0.003 40.811 40.800 0.013 0.000 0.961 -234 D HN 0.280 nan 8.370 nan 0.000 0.470 -233 K N 0.251 120.677 120.400 0.043 0.000 2.063 -233 K HA -0.183 4.138 4.320 0.000 0.000 0.208 -233 K C 1.914 178.542 176.600 0.046 0.000 1.048 -233 K CA 1.336 57.669 56.287 0.078 0.000 0.928 -233 K CB 0.012 32.560 32.500 0.079 0.000 0.713 -233 K HN 0.230 nan 8.250 nan 0.000 0.442 -232 E N 0.418 120.634 120.200 0.026 0.000 2.085 -232 E HA -0.202 4.148 4.350 0.000 0.000 0.194 -232 E C 2.077 178.690 176.600 0.022 0.000 0.994 -232 E CA 1.243 57.654 56.400 0.020 0.000 0.801 -232 E CB -0.052 29.654 29.700 0.011 0.000 0.743 -232 E HN 0.294 nan 8.360 nan 0.000 0.453 -231 L N 0.696 121.936 121.223 0.027 0.000 2.179 -231 L HA -0.094 4.246 4.340 0.000 0.000 0.208 -231 L C 2.309 179.199 176.870 0.032 0.000 1.096 -231 L CA 0.605 55.462 54.840 0.029 0.000 0.779 -231 L CB -0.095 41.984 42.059 0.034 0.000 0.922 -231 L HN -0.033 nan 8.230 nan 0.000 0.443 -230 K N 0.346 120.772 120.400 0.044 0.000 2.097 -230 K HA -0.087 4.234 4.320 0.000 0.000 0.206 -230 K C 2.091 178.708 176.600 0.028 0.000 1.049 -230 K CA 1.392 57.704 56.287 0.041 0.000 0.933 -230 K CB -0.365 32.168 32.500 0.056 0.000 0.717 -230 K HN 0.262 nan 8.250 nan 0.000 0.442 -229 A N 1.524 124.360 122.820 0.026 0.000 2.125 -229 A HA -0.136 4.185 4.320 0.000 0.000 0.219 -229 A C 1.486 179.077 177.584 0.013 0.000 1.156 -229 A CA 1.257 53.305 52.037 0.018 0.000 0.671 -229 A CB -0.165 18.845 19.000 0.018 0.000 0.794 -229 A HN 0.271 nan 8.150 nan 0.000 0.459 -228 K N -1.241 119.167 120.400 0.013 0.000 2.397 -228 K HA 0.320 4.640 4.320 0.000 0.000 0.202 -228 K C 0.838 177.442 176.600 0.007 0.000 1.022 -228 K CA 0.327 56.619 56.287 0.008 0.000 1.141 -228 K CB 0.193 32.697 32.500 0.007 0.000 0.857 -228 K HN 0.506 nan 8.250 nan 0.000 0.514 -227 G N 2.106 110.912 108.800 0.010 0.000 2.179 -227 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 -227 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 -227 G C -0.003 174.902 174.900 0.009 0.000 1.010 -227 G CA 0.534 45.639 45.100 0.008 0.000 0.736 -227 G HN 0.162 nan 8.290 nan 0.000 0.513 -226 K N -0.460 119.949 120.400 0.014 0.000 2.307 -226 K HA 0.849 5.170 4.320 0.000 0.000 0.239 -226 K C 0.387 177.007 176.600 0.033 0.000 1.083 -226 K CA 0.072 56.369 56.287 0.017 0.000 0.913 -226 K CB 1.621 34.127 32.500 0.011 0.000 1.322 -226 K HN 0.707 nan 8.250 nan 0.000 0.514 -225 S N -1.898 113.828 115.700 0.044 0.000 2.651 -225 S HA 0.614 5.085 4.470 0.000 0.000 0.279 -225 S C 0.434 175.080 174.600 0.077 0.000 1.148 -225 S CA -0.271 57.968 58.200 0.065 0.000 0.837 -225 S CB 1.631 64.873 63.200 0.070 0.000 1.138 -225 S HN 0.535 nan 8.310 nan 0.000 0.478 -224 A N 0.112 122.984 122.820 0.087 0.000 1.878 -224 A HA 0.553 4.874 4.320 0.000 0.000 0.213 -224 A C 0.520 178.175 177.584 0.119 0.000 1.192 -224 A CA 1.048 53.136 52.037 0.085 0.000 0.619 -224 A CB -0.598 18.436 19.000 0.057 0.000 0.837 -224 A HN 1.300 nan 8.150 nan 0.000 0.446 -223 L N -1.268 120.042 121.223 0.145 0.000 2.526 -223 L HA 0.719 5.059 4.340 0.000 0.000 0.263 -223 L C -1.416 175.580 176.870 0.210 0.000 0.943 -223 L CA -0.164 54.791 54.840 0.193 0.000 0.859 -223 L CB 1.775 43.958 42.059 0.206 0.000 1.313 -223 L HN 0.287 nan 8.230 nan 0.000 0.406 -222 M N 5.959 125.693 119.600 0.223 0.000 2.324 -222 M HA 0.643 5.123 4.480 0.000 0.000 0.288 -222 M C -1.474 174.948 176.300 0.204 0.000 1.097 -222 M CA -0.378 55.004 55.300 0.137 0.000 0.928 -222 M CB 2.030 34.673 32.600 0.072 0.000 1.648 -222 M HN 0.604 nan 8.290 nan 0.000 0.460 -221 F N -0.027 119.916 119.950 -0.012 0.000 2.715 -221 F HA 0.629 5.156 4.527 0.001 0.000 0.318 -221 F C -0.733 174.970 175.800 -0.162 0.000 1.141 -221 F CA -1.330 56.612 58.000 -0.096 0.000 0.950 -221 F CB 0.859 39.869 39.000 0.016 0.000 1.374 -221 F HN 0.437 nan 8.300 nan 0.000 0.477 -220 N N 1.540 120.079 118.700 -0.268 0.000 2.427 -220 N HA 0.157 4.898 4.740 0.000 0.000 0.269 -220 N C 0.082 175.486 175.510 -0.177 0.000 1.235 -220 N CA 0.077 52.912 53.050 -0.358 0.000 0.934 -220 N CB 0.491 38.569 38.487 -0.683 0.000 1.121 -220 N HN 0.809 nan 8.380 nan 0.000 0.480 -219 L N 2.221 123.327 121.223 -0.194 0.000 2.592 -219 L HA 0.102 4.443 4.340 0.000 0.000 0.227 -219 L C 1.347 178.230 176.870 0.022 0.000 1.127 -219 L CA 0.138 54.914 54.840 -0.108 0.000 0.884 -219 L CB 0.081 42.018 42.059 -0.203 0.000 1.065 -219 L HN 0.462 nan 8.230 nan 0.000 0.457 -218 Q N -0.262 119.561 119.800 0.038 0.000 2.402 -218 Q HA 0.147 4.487 4.340 0.000 0.000 0.206 -218 Q C 0.143 176.222 176.000 0.132 0.000 0.919 -218 Q CA 0.588 56.430 55.803 0.064 0.000 0.923 -218 Q CB 0.556 29.320 28.738 0.042 0.000 1.048 -218 Q HN 0.295 nan 8.270 nan 0.000 0.515 -217 E N 1.376 121.724 120.200 0.247 0.000 2.165 -217 E HA 0.186 4.537 4.350 0.000 0.000 0.266 -217 E C -1.851 175.011 176.600 0.437 0.000 0.889 -217 E CA -2.036 54.565 56.400 0.335 0.000 0.756 -217 E CB 2.035 32.016 29.700 0.468 0.000 1.131 -217 E HN -0.112 nan 8.360 nan 0.000 0.411 -216 P HA -0.168 nan 4.420 nan 0.000 0.225 -216 P C 1.293 178.921 177.300 0.547 0.000 1.148 -216 P CA 0.769 64.120 63.100 0.417 0.000 0.779 -216 P CB 0.161 32.114 31.700 0.421 0.000 0.780 -215 Y N 0.395 120.791 120.300 0.159 0.000 2.241 -215 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 -215 Y C 1.890 177.851 175.900 0.101 0.000 1.166 -215 Y CA 1.615 59.718 58.100 0.005 0.000 1.203 -215 Y CB -0.979 37.233 38.460 -0.413 0.000 0.977 -215 Y HN -0.198 nan 8.280 nan 0.000 0.529 -214 F N -1.283 118.875 119.950 0.347 0.000 2.335 -214 F HA -0.040 4.487 4.527 0.000 0.000 0.296 -214 F C 2.567 178.524 175.800 0.262 0.000 1.091 -214 F CA 1.361 59.535 58.000 0.290 0.000 1.399 -214 F CB -0.651 38.652 39.000 0.506 0.000 1.067 -214 F HN 0.083 nan 8.300 nan 0.000 0.520 -213 T N -3.097 111.770 114.554 0.521 0.000 3.037 -213 T HA -0.145 4.206 4.350 0.000 0.000 0.252 -213 T C 1.910 176.729 174.700 0.199 0.000 1.073 -213 T CA -0.022 62.292 62.100 0.357 0.000 1.091 -213 T CB -0.763 68.314 68.868 0.350 0.000 0.935 -213 T HN 0.490 nan 8.240 nan 0.000 0.488 -212 W N 3.021 124.398 121.300 0.128 0.000 2.290 -212 W HA -0.162 4.498 4.660 0.000 0.000 0.323 -212 W C -1.589 174.900 176.519 -0.051 0.000 1.260 -212 W CA 2.015 59.404 57.345 0.074 0.000 1.266 -212 W CB -1.386 28.207 29.460 0.222 0.000 1.149 -212 W HN 0.289 nan 8.180 nan 0.000 0.482 -211 P HA -0.244 nan 4.420 nan 0.000 0.217 -211 P C 1.752 178.877 177.300 -0.291 0.000 1.151 -211 P CA 1.998 64.996 63.100 -0.169 0.000 0.849 -211 P CB -0.566 31.122 31.700 -0.020 0.000 0.787 -210 L N -1.149 119.869 121.223 -0.342 0.000 2.131 -210 L HA -0.015 4.325 4.340 0.000 0.000 0.206 -210 L C 2.167 178.678 176.870 -0.599 0.000 1.087 -210 L CA 1.540 56.019 54.840 -0.601 0.000 0.767 -210 L CB -1.157 40.332 42.059 -0.949 0.000 0.917 -210 L HN -0.131 nan 8.230 nan 0.000 0.441 -209 I N -0.228 120.012 120.570 -0.549 0.000 2.394 -209 I HA -0.227 3.944 4.170 0.000 0.000 0.251 -209 I C 2.381 178.088 176.117 -0.683 0.000 1.136 -209 I CA 1.099 62.064 61.300 -0.558 0.000 1.425 -209 I CB -0.462 37.252 38.000 -0.477 0.000 1.079 -209 I HN 0.366 nan 8.210 nan 0.000 0.425 -208 A N 0.419 122.692 122.820 -0.911 0.000 2.021 -208 A HA 0.135 4.455 4.320 0.000 0.000 0.216 -208 A C 2.527 179.903 177.584 -0.347 0.000 1.163 -208 A CA 0.994 52.577 52.037 -0.756 0.000 0.676 -208 A CB -0.455 17.966 19.000 -0.965 0.000 0.818 -208 A HN 0.357 nan 8.150 nan 0.000 0.453 -207 A N 0.442 123.096 122.820 -0.277 0.000 1.881 -207 A HA -0.292 4.028 4.320 0.000 0.000 0.219 -207 A C 1.731 179.305 177.584 -0.017 0.000 1.215 -207 A CA 2.345 54.328 52.037 -0.090 0.000 0.648 -207 A CB -0.638 18.357 19.000 -0.007 0.000 0.832 -207 A HN 0.451 nan 8.150 nan 0.000 0.455 -206 D N -2.834 117.585 120.400 0.032 0.000 2.342 -206 D HA 0.357 4.998 4.640 0.000 0.000 0.221 -206 D C 0.864 177.166 176.300 0.003 0.000 1.101 -206 D CA 1.087 55.109 54.000 0.036 0.000 0.837 -206 D CB 0.043 40.903 40.800 0.101 0.000 0.938 -206 D HN 0.580 nan 8.370 nan 0.000 0.508 -205 G N -1.199 107.589 108.800 -0.021 0.000 2.370 -205 G HA2 -0.069 3.892 3.960 0.000 0.000 0.174 -205 G HA3 -0.069 3.892 3.960 0.000 0.000 0.174 -205 G C 0.682 175.628 174.900 0.076 0.000 1.002 -205 G CA -0.277 44.844 45.100 0.035 0.000 0.730 -205 G HN 0.498 nan 8.290 nan 0.000 0.497 -204 G N 0.397 109.153 108.800 -0.075 0.000 2.441 -204 G HA2 0.642 4.602 3.960 0.000 0.000 0.243 -204 G HA3 0.642 4.602 3.960 0.000 0.000 0.243 -204 G C -0.261 174.619 174.900 -0.033 0.000 1.281 -204 G CA 0.510 45.521 45.100 -0.148 0.000 0.854 -204 G HN 1.446 nan 8.290 nan 0.000 0.560 -203 Y N -1.143 119.199 120.300 0.070 0.000 2.597 -203 Y HA 0.735 5.286 4.550 0.001 0.000 0.340 -203 Y C 0.604 176.657 175.900 0.255 0.000 1.097 -203 Y CA -0.849 57.379 58.100 0.213 0.000 1.037 -203 Y CB 0.842 39.380 38.460 0.130 0.000 1.305 -203 Y HN 0.669 nan 8.280 nan 0.000 0.463 -202 A N 1.666 124.632 122.820 0.243 0.000 1.909 -202 A HA 0.315 4.636 4.320 0.000 0.000 0.215 -202 A C -0.399 176.883 177.584 -0.504 0.000 1.392 -202 A CA 0.874 52.583 52.037 -0.547 0.000 0.599 -202 A CB -0.556 17.811 19.000 -1.056 0.000 1.029 -202 A HN 0.578 nan 8.150 nan 0.000 0.480 -201 F N -0.376 119.640 119.950 0.110 0.000 2.482 -201 F HA 0.483 5.010 4.527 0.000 0.000 0.331 -201 F C 0.188 176.269 175.800 0.469 0.000 1.115 -201 F CA -0.788 57.368 58.000 0.260 0.000 0.955 -201 F CB 1.616 40.671 39.000 0.092 0.000 1.136 -201 F HN 0.150 nan 8.300 nan 0.000 0.452 -200 K N 2.867 123.615 120.400 0.579 0.000 2.412 -200 K HA 0.061 4.382 4.320 0.000 0.000 0.284 -200 K C -1.277 175.493 176.600 0.284 0.000 1.046 -200 K CA -0.051 56.389 56.287 0.256 0.000 0.999 -200 K CB 0.243 32.810 32.500 0.111 0.000 0.941 -200 K HN 0.627 nan 8.250 nan 0.000 0.474 -199 Y N 4.736 125.074 120.300 0.065 0.000 2.320 -199 Y HA 0.226 4.776 4.550 0.001 0.000 0.334 -199 Y C -0.867 174.965 175.900 -0.115 0.000 1.055 -199 Y CA -0.131 57.892 58.100 -0.129 0.000 1.143 -199 Y CB 0.733 39.047 38.460 -0.244 0.000 1.193 -199 Y HN 0.736 nan 8.280 nan 0.000 0.477 -198 E N 3.580 123.292 120.200 -0.813 0.000 2.419 -198 E HA 0.194 4.544 4.350 0.000 0.000 0.285 -198 E C -1.298 174.968 176.600 -0.557 0.000 1.079 -198 E CA -1.147 54.896 56.400 -0.594 0.000 0.864 -198 E CB 0.610 30.160 29.700 -0.250 0.000 1.216 -198 E HN 0.581 nan 8.360 nan 0.000 0.428 -197 N N 0.727 119.183 118.700 -0.406 0.000 2.727 -197 N HA -0.181 4.560 4.740 0.000 0.000 0.251 -197 N C 0.768 176.094 175.510 -0.307 0.000 1.040 -197 N CA 1.656 54.546 53.050 -0.266 0.000 0.712 -197 N CB -1.697 36.691 38.487 -0.166 0.000 0.912 -197 N HN 1.278 nan 8.380 nan 0.000 0.545 -196 G N -1.247 107.307 108.800 -0.409 0.000 2.269 -196 G HA2 -0.370 3.590 3.960 0.000 0.000 0.277 -196 G HA3 -0.370 3.590 3.960 0.000 0.000 0.277 -196 G C -0.042 174.746 174.900 -0.187 0.000 1.008 -196 G CA 1.263 46.253 45.100 -0.183 0.000 0.774 -196 G HN 0.663 nan 8.290 nan 0.000 0.511 -195 K N -1.235 118.850 120.400 -0.525 0.000 2.525 -195 K HA 0.450 4.770 4.320 0.000 0.000 0.254 -195 K C -1.040 175.401 176.600 -0.265 0.000 0.934 -195 K CA -0.927 55.223 56.287 -0.228 0.000 0.802 -195 K CB 1.493 33.918 32.500 -0.126 0.000 1.295 -195 K HN 0.071 nan 8.250 nan 0.000 0.433 -194 Y N 1.282 121.667 120.300 0.141 0.000 2.393 -194 Y HA 0.055 4.605 4.550 0.000 0.000 0.338 -194 Y C 0.356 176.299 175.900 0.073 0.000 1.029 -194 Y CA -0.317 57.881 58.100 0.164 0.000 1.239 -194 Y CB 0.551 39.096 38.460 0.142 0.000 1.170 -194 Y HN 0.460 nan 8.280 nan 0.000 0.515 -193 D N 4.585 125.136 120.400 0.251 0.000 2.352 -193 D HA 0.067 4.707 4.640 0.000 0.000 0.245 -193 D C 0.886 177.357 176.300 0.284 0.000 1.224 -193 D CA -0.194 53.922 54.000 0.192 0.000 0.879 -193 D CB 0.392 41.281 40.800 0.150 0.000 1.057 -193 D HN 0.617 nan 8.370 nan 0.000 0.491 -192 I N 0.539 121.217 120.570 0.180 0.000 3.444 -192 I HA 0.026 4.197 4.170 0.000 0.000 0.287 -192 I C 1.139 177.427 176.117 0.286 0.000 1.302 -192 I CA 0.334 61.756 61.300 0.203 0.000 1.368 -192 I CB 0.027 38.005 38.000 -0.037 0.000 1.048 -192 I HN 0.069 nan 8.210 nan 0.000 0.487 -191 K N 0.419 120.950 120.400 0.217 0.000 2.367 -191 K HA 0.111 4.431 4.320 0.000 0.000 0.194 -191 K C 0.035 176.750 176.600 0.191 0.000 1.027 -191 K CA 0.116 56.509 56.287 0.177 0.000 1.075 -191 K CB 0.230 32.804 32.500 0.123 0.000 0.845 -191 K HN 0.196 nan 8.250 nan 0.000 0.529 -190 D N 1.609 122.159 120.400 0.251 0.000 2.477 -190 D HA 0.140 4.780 4.640 0.000 0.000 0.239 -190 D C -1.273 175.209 176.300 0.303 0.000 1.102 -190 D CA -0.311 53.846 54.000 0.262 0.000 0.901 -190 D CB 0.916 41.879 40.800 0.272 0.000 1.026 -190 D HN -0.264 nan 8.370 nan 0.000 0.515 -189 V N 2.078 122.066 119.914 0.123 0.000 2.483 -189 V HA 0.623 4.744 4.120 0.000 0.000 0.295 -189 V C 1.247 177.143 176.094 -0.329 0.000 1.035 -189 V CA -0.718 61.519 62.300 -0.105 0.000 0.896 -189 V CB 1.960 33.714 31.823 -0.114 0.000 0.986 -189 V HN 0.588 nan 8.190 nan 0.000 0.447 -188 G N 2.476 110.787 108.800 -0.814 0.000 4.291 -188 G HA2 0.294 4.254 3.960 0.000 0.000 0.304 -188 G HA3 0.294 4.254 3.960 0.000 0.000 0.304 -188 G C 0.413 175.003 174.900 -0.516 0.000 1.264 -188 G CA 0.043 44.356 45.100 -1.312 0.000 1.039 -188 G HN 0.537 nan 8.290 nan 0.000 0.578 -187 V N -0.560 119.223 119.914 -0.218 0.000 3.590 -187 V HA 0.134 4.254 4.120 0.000 0.000 0.265 -187 V C 1.125 177.193 176.094 -0.044 0.000 1.239 -187 V CA 1.192 63.478 62.300 -0.022 0.000 1.117 -187 V CB 0.810 32.668 31.823 0.058 0.000 0.818 -187 V HN 0.386 nan 8.190 nan 0.000 0.451 -186 D N -0.311 120.043 120.400 -0.076 0.000 2.563 -186 D HA 0.120 4.760 4.640 0.000 0.000 0.237 -186 D C 0.431 176.709 176.300 -0.037 0.000 1.282 -186 D CA -0.175 53.801 54.000 -0.040 0.000 0.816 -186 D CB 0.087 40.875 40.800 -0.021 0.000 1.066 -186 D HN 0.592 nan 8.370 nan 0.000 0.501 -185 N N -0.288 118.378 118.700 -0.057 0.000 2.379 -185 N HA 0.269 5.009 4.740 0.000 0.000 0.260 -185 N C 1.426 176.931 175.510 -0.007 0.000 1.254 -185 N CA 0.118 53.156 53.050 -0.021 0.000 0.958 -185 N CB 0.308 38.793 38.487 -0.003 0.000 1.208 -185 N HN -0.127 nan 8.380 nan 0.000 0.532 -184 A N -0.060 122.767 122.820 0.011 0.000 1.903 -184 A HA -0.103 4.218 4.320 0.000 0.000 0.219 -184 A C 2.068 179.663 177.584 0.019 0.000 1.191 -184 A CA 2.377 54.424 52.037 0.017 0.000 0.638 -184 A CB -1.834 17.177 19.000 0.019 0.000 0.823 -184 A HN 0.828 nan 8.150 nan 0.000 0.451 -183 G N -0.664 108.145 108.800 0.015 0.000 2.480 -183 G HA2 -0.058 3.902 3.960 0.000 0.000 0.216 -183 G HA3 -0.058 3.902 3.960 0.000 0.000 0.216 -183 G C 1.842 176.729 174.900 -0.021 0.000 1.200 -183 G CA 1.934 47.042 45.100 0.015 0.000 0.782 -183 G HN 0.963 nan 8.290 nan 0.000 0.554 -182 A N 0.793 123.569 122.820 -0.074 0.000 1.903 -182 A HA -0.152 4.168 4.320 0.000 0.000 0.219 -182 A C 2.319 179.862 177.584 -0.068 0.000 1.191 -182 A CA 2.318 54.286 52.037 -0.114 0.000 0.638 -182 A CB -0.488 18.451 19.000 -0.102 0.000 0.823 -182 A HN 0.423 nan 8.150 nan 0.000 0.451 -181 K N -0.632 119.753 120.400 -0.025 0.000 2.063 -181 K HA -0.092 4.228 4.320 0.000 0.000 0.208 -181 K C 2.375 178.990 176.600 0.024 0.000 1.048 -181 K CA 1.172 57.458 56.287 -0.002 0.000 0.928 -181 K CB -0.355 32.152 32.500 0.012 0.000 0.713 -181 K HN 0.476 nan 8.250 nan 0.000 0.442 -180 A N 1.221 124.084 122.820 0.071 0.000 1.877 -180 A HA -0.103 4.217 4.320 0.000 0.000 0.216 -180 A C 2.446 180.108 177.584 0.129 0.000 1.186 -180 A CA 1.988 54.142 52.037 0.194 0.000 0.620 -180 A CB -1.317 17.855 19.000 0.287 0.000 0.822 -180 A HN 0.432 nan 8.150 nan 0.000 0.443 -179 G N -0.359 108.390 108.800 -0.085 0.000 2.446 -179 G HA2 -0.184 3.777 3.960 0.000 0.000 0.217 -179 G HA3 -0.184 3.777 3.960 0.000 0.000 0.217 -179 G C 1.481 176.158 174.900 -0.372 0.000 1.168 -179 G CA 1.328 46.102 45.100 -0.544 0.000 0.771 -179 G HN 0.472 nan 8.290 nan 0.000 0.551 -178 L N 0.708 121.822 121.223 -0.182 0.000 2.156 -178 L HA 0.121 4.461 4.340 0.000 0.000 0.208 -178 L C 2.865 179.701 176.870 -0.057 0.000 1.095 -178 L CA 2.088 56.863 54.840 -0.108 0.000 0.770 -178 L CB -0.740 41.283 42.059 -0.059 0.000 0.914 -178 L HN 0.162 nan 8.230 nan 0.000 0.439 -177 T N -0.844 113.700 114.554 -0.016 0.000 2.777 -177 T HA -0.195 4.155 4.350 0.000 0.000 0.266 -177 T C 1.633 176.355 174.700 0.038 0.000 1.040 -177 T CA 1.696 63.810 62.100 0.023 0.000 1.141 -177 T CB -0.466 68.440 68.868 0.064 0.000 0.868 -177 T HN 0.336 nan 8.240 nan 0.000 0.444 -176 F N 1.318 121.205 119.950 -0.105 0.000 2.126 -176 F HA -0.050 4.477 4.527 0.001 0.000 0.299 -176 F C 1.993 177.732 175.800 -0.102 0.000 1.096 -176 F CA 0.879 58.820 58.000 -0.099 0.000 1.255 -176 F CB -0.379 38.466 39.000 -0.258 0.000 0.997 -176 F HN 0.039 nan 8.300 nan 0.000 0.479 -175 L N -0.532 120.668 121.223 -0.037 0.000 2.017 -175 L HA -0.183 4.157 4.340 0.000 0.000 0.208 -175 L C 2.255 179.087 176.870 -0.064 0.000 1.073 -175 L CA 1.457 56.271 54.840 -0.044 0.000 0.745 -175 L CB -0.661 41.377 42.059 -0.035 0.000 0.894 -175 L HN 0.005 nan 8.230 nan 0.000 0.432 -174 V N -0.062 119.817 119.914 -0.060 0.000 2.332 -174 V HA -0.311 3.809 4.120 0.000 0.000 0.248 -174 V C 2.179 178.228 176.094 -0.076 0.000 1.055 -174 V CA 2.042 64.310 62.300 -0.054 0.000 1.038 -174 V CB -0.769 31.032 31.823 -0.038 0.000 0.651 -174 V HN 0.509 nan 8.190 nan 0.000 0.450 -173 D N -0.069 120.265 120.400 -0.110 0.000 2.144 -173 D HA -0.114 4.526 4.640 0.000 0.000 0.199 -173 D C 2.152 178.369 176.300 -0.138 0.000 0.984 -173 D CA 1.037 54.960 54.000 -0.128 0.000 0.834 -173 D CB -0.220 40.493 40.800 -0.146 0.000 0.955 -173 D HN 0.345 nan 8.370 nan 0.000 0.465 -172 L N 0.421 121.533 121.223 -0.184 0.000 2.079 -172 L HA -0.175 4.165 4.340 0.000 0.000 0.210 -172 L C 2.425 179.280 176.870 -0.024 0.000 1.081 -172 L CA 0.815 55.627 54.840 -0.047 0.000 0.752 -172 L CB -0.249 41.807 42.059 -0.004 0.000 0.896 -172 L HN 0.048 nan 8.230 nan 0.000 0.433 -171 I N -0.790 119.747 120.570 -0.055 0.000 2.277 -171 I HA -0.231 3.939 4.170 0.000 0.000 0.243 -171 I C 2.498 178.564 176.117 -0.084 0.000 1.094 -171 I CA 1.035 62.298 61.300 -0.061 0.000 1.393 -171 I CB -0.270 37.697 38.000 -0.055 0.000 1.078 -171 I HN 0.120 nan 8.210 nan 0.000 0.417 -170 K N 0.985 121.337 120.400 -0.080 0.000 2.113 -170 K HA -0.185 4.135 4.320 0.000 0.000 0.208 -170 K C 1.314 177.845 176.600 -0.114 0.000 1.047 -170 K CA 1.757 57.996 56.287 -0.080 0.000 0.928 -170 K CB -0.349 32.113 32.500 -0.063 0.000 0.716 -170 K HN 0.419 nan 8.250 nan 0.000 0.446 -169 N N 0.478 119.084 118.700 -0.157 0.000 2.383 -169 N HA 0.010 4.750 4.740 0.000 0.000 0.192 -169 N C -0.712 174.496 175.510 -0.502 0.000 1.141 -169 N CA 0.003 52.883 53.050 -0.282 0.000 0.851 -169 N CB 0.320 38.663 38.487 -0.239 0.000 0.976 -169 N HN 0.050 nan 8.380 nan 0.000 0.465 -168 K N -0.224 119.993 120.400 -0.304 0.000 3.160 -168 K HA -0.217 4.103 4.320 0.000 0.000 0.280 -168 K C -0.476 175.979 176.600 -0.241 0.000 1.154 -168 K CA 0.500 56.650 56.287 -0.229 0.000 0.822 -168 K CB -1.783 30.612 32.500 -0.174 0.000 1.239 -168 K HN 0.547 nan 8.250 nan 0.000 0.489 -167 H N -0.827 118.236 119.070 -0.012 0.000 2.551 -167 H HA 0.247 4.803 4.556 0.001 0.000 0.266 -167 H C 1.003 176.342 175.328 0.019 0.000 0.964 -167 H CA 0.670 56.724 56.048 0.010 0.000 1.180 -167 H CB 0.285 30.058 29.762 0.018 0.000 1.408 -167 H HN 0.277 nan 8.280 nan 0.000 0.563 -166 M N -0.014 119.627 119.600 0.069 0.000 2.569 -166 M HA 0.224 4.704 4.480 0.000 0.000 0.279 -166 M C -0.734 175.546 176.300 -0.033 0.000 1.253 -166 M CA -0.729 54.581 55.300 0.016 0.000 0.867 -166 M CB 3.062 35.665 32.600 0.005 0.000 1.727 -166 M HN -0.145 nan 8.290 nan 0.000 0.467 -165 N N 0.376 119.045 118.700 -0.053 0.000 2.372 -165 N HA 0.505 5.245 4.740 0.000 0.000 0.291 -165 N C 0.103 175.568 175.510 -0.077 0.000 1.024 -165 N CA 0.060 53.076 53.050 -0.057 0.000 0.873 -165 N CB 2.132 40.592 38.487 -0.045 0.000 1.206 -165 N HN 0.826 nan 8.380 nan 0.000 0.486 -164 A N 3.000 125.781 122.820 -0.065 0.000 2.019 -164 A HA -0.130 4.190 4.320 0.000 0.000 0.219 -164 A C 1.228 178.775 177.584 -0.061 0.000 1.164 -164 A CA 1.302 53.300 52.037 -0.065 0.000 0.644 -164 A CB -0.111 18.860 19.000 -0.049 0.000 0.805 -164 A HN 0.721 nan 8.150 nan 0.000 0.449 -163 D N 0.166 120.535 120.400 -0.052 0.000 2.264 -163 D HA -0.029 4.611 4.640 0.000 0.000 0.208 -163 D C 0.377 176.646 176.300 -0.053 0.000 0.966 -163 D CA 0.879 54.853 54.000 -0.043 0.000 0.864 -163 D CB -0.673 40.107 40.800 -0.032 0.000 0.933 -163 D HN 0.312 nan 8.370 nan 0.000 0.499 -162 T N 2.674 117.180 114.554 -0.079 0.000 2.831 -162 T HA 0.143 4.493 4.350 0.000 0.000 0.291 -162 T C 0.234 174.871 174.700 -0.104 0.000 0.981 -162 T CA -0.070 61.972 62.100 -0.097 0.000 1.174 -162 T CB 0.502 69.285 68.868 -0.143 0.000 0.929 -162 T HN 0.207 nan 8.240 nan 0.000 0.532 -161 D N 1.470 121.832 120.400 -0.065 0.000 2.689 -161 D HA 0.177 4.817 4.640 0.000 0.000 0.255 -161 D C 0.977 177.263 176.300 -0.024 0.000 1.113 -161 D CA -1.084 52.896 54.000 -0.033 0.000 1.115 -161 D CB 0.120 40.929 40.800 0.015 0.000 1.334 -161 D HN 0.295 nan 8.370 nan 0.000 0.621 -160 Y N 0.462 120.709 120.300 -0.088 0.000 2.128 -160 Y HA -0.230 4.321 4.550 0.000 0.000 0.284 -160 Y C 2.513 178.404 175.900 -0.015 0.000 1.154 -160 Y CA 3.200 61.255 58.100 -0.075 0.000 1.149 -160 Y CB -0.230 38.216 38.460 -0.024 0.000 0.976 -160 Y HN 0.439 nan 8.280 nan 0.000 0.505 -159 S N -0.331 115.480 115.700 0.186 0.000 2.371 -159 S HA -0.175 4.295 4.470 0.000 0.000 0.224 -159 S C 2.034 176.655 174.600 0.034 0.000 1.029 -159 S CA 1.344 59.625 58.200 0.135 0.000 0.978 -159 S CB -1.004 62.278 63.200 0.137 0.000 0.833 -159 S HN 0.505 nan 8.310 nan 0.000 0.466 -158 I N 2.689 123.268 120.570 0.015 0.000 2.118 -158 I HA -0.244 3.927 4.170 0.000 0.000 0.241 -158 I C 3.095 179.198 176.117 -0.022 0.000 1.070 -158 I CA 1.417 62.714 61.300 -0.004 0.000 1.327 -158 I CB -0.724 37.268 38.000 -0.013 0.000 1.034 -158 I HN 0.411 nan 8.210 nan 0.000 0.405 -157 A N 0.052 122.831 122.820 -0.068 0.000 1.883 -157 A HA -0.288 4.033 4.320 0.000 0.000 0.217 -157 A C 2.326 179.873 177.584 -0.062 0.000 1.186 -157 A CA 2.088 54.080 52.037 -0.076 0.000 0.624 -157 A CB -0.722 18.191 19.000 -0.145 0.000 0.822 -157 A HN 0.529 nan 8.150 nan 0.000 0.444 -156 E N -0.273 119.839 120.200 -0.146 0.000 2.077 -156 E HA -0.115 4.235 4.350 0.000 0.000 0.193 -156 E C 2.145 178.766 176.600 0.034 0.000 0.989 -156 E CA 1.013 57.356 56.400 -0.093 0.000 0.800 -156 E CB -0.244 29.372 29.700 -0.140 0.000 0.746 -156 E HN 0.537 nan 8.360 nan 0.000 0.452 -155 A N 1.217 124.054 122.820 0.028 0.000 1.898 -155 A HA -0.067 4.254 4.320 0.000 0.000 0.216 -155 A C 2.395 180.004 177.584 0.041 0.000 1.181 -155 A CA 1.727 53.787 52.037 0.039 0.000 0.620 -155 A CB -0.775 18.245 19.000 0.032 0.000 0.819 -155 A HN 0.410 nan 8.150 nan 0.000 0.442 -154 A N -1.110 121.737 122.820 0.045 0.000 1.858 -154 A HA -0.095 4.225 4.320 0.000 0.000 0.216 -154 A C 2.097 179.719 177.584 0.062 0.000 1.190 -154 A CA 1.656 53.719 52.037 0.045 0.000 0.617 -154 A CB -0.826 18.204 19.000 0.049 0.000 0.827 -154 A HN 0.647 nan 8.150 nan 0.000 0.443 -153 F N 1.135 121.071 119.950 -0.024 0.000 2.126 -153 F HA -0.193 4.334 4.527 0.000 0.000 0.299 -153 F C 1.902 177.685 175.800 -0.028 0.000 1.096 -153 F CA 2.170 60.157 58.000 -0.022 0.000 1.255 -153 F CB -0.291 38.689 39.000 -0.032 0.000 0.997 -153 F HN 0.313 nan 8.300 nan 0.000 0.479 -152 N N -0.546 118.201 118.700 0.079 0.000 2.467 -152 N HA -0.073 4.667 4.740 0.000 0.000 0.184 -152 N C 1.179 176.652 175.510 -0.062 0.000 1.106 -152 N CA 0.127 53.179 53.050 0.004 0.000 0.892 -152 N CB 0.013 38.538 38.487 0.063 0.000 0.969 -152 N HN 0.251 nan 8.380 nan 0.000 0.454 -151 K N 0.062 120.421 120.400 -0.069 0.000 2.358 -151 K HA 0.104 4.424 4.320 0.000 0.000 0.197 -151 K C 0.619 177.159 176.600 -0.100 0.000 1.025 -151 K CA -0.008 56.242 56.287 -0.063 0.000 1.104 -151 K CB 0.587 33.069 32.500 -0.029 0.000 0.855 -151 K HN 0.140 nan 8.250 nan 0.000 0.531 -150 G N 1.521 110.210 108.800 -0.185 0.000 2.147 -150 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 -150 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 -150 G C 0.328 175.147 174.900 -0.134 0.000 1.005 -150 G CA 0.619 45.595 45.100 -0.207 0.000 0.713 -150 G HN 0.505 nan 8.290 nan 0.000 0.515 -149 E N -1.076 119.066 120.200 -0.097 0.000 2.340 -149 E HA 0.139 4.489 4.350 0.000 0.000 0.194 -149 E C 1.005 177.598 176.600 -0.011 0.000 0.996 -149 E CA 0.880 57.257 56.400 -0.039 0.000 0.869 -149 E CB 0.523 30.214 29.700 -0.015 0.000 0.835 -149 E HN 0.312 nan 8.360 nan 0.000 0.493 -148 T N -1.128 113.424 114.554 -0.003 0.000 2.876 -148 T HA 0.461 4.811 4.350 0.000 0.000 0.289 -148 T C 0.419 175.177 174.700 0.097 0.000 1.014 -148 T CA -0.222 61.924 62.100 0.076 0.000 0.986 -148 T CB 1.666 70.621 68.868 0.145 0.000 1.021 -148 T HN 0.008 nan 8.240 nan 0.000 0.458 -147 A N 4.563 127.460 122.820 0.128 0.000 2.014 -147 A HA 0.360 4.681 4.320 0.000 0.000 0.218 -147 A C 0.832 178.639 177.584 0.371 0.000 1.163 -147 A CA 0.917 53.051 52.037 0.162 0.000 0.652 -147 A CB -0.177 18.893 19.000 0.116 0.000 0.808 -147 A HN 0.733 nan 8.150 nan 0.000 0.449 -146 M N -1.980 117.854 119.600 0.390 0.000 2.470 -146 M HA 0.437 4.917 4.480 0.000 0.000 0.285 -146 M C -0.868 175.533 176.300 0.168 0.000 1.213 -146 M CA -0.177 55.307 55.300 0.307 0.000 0.901 -146 M CB 2.651 35.330 32.600 0.132 0.000 1.718 -146 M HN 0.082 nan 8.290 nan 0.000 0.469 -145 T N 1.662 116.145 114.554 -0.119 0.000 2.843 -145 T HA 0.766 5.116 4.350 0.000 0.000 0.302 -145 T C -1.917 172.695 174.700 -0.147 0.000 1.232 -145 T CA -0.514 61.498 62.100 -0.146 0.000 1.009 -145 T CB 1.477 70.114 68.868 -0.386 0.000 1.254 -145 T HN 0.567 nan 8.240 nan 0.000 0.504 -144 I N 3.832 124.379 120.570 -0.039 0.000 2.410 -144 I HA 0.540 4.710 4.170 0.000 0.000 0.286 -144 I C -0.175 176.027 176.117 0.142 0.000 1.009 -144 I CA -0.664 60.622 61.300 -0.023 0.000 1.111 -144 I CB 1.511 39.404 38.000 -0.178 0.000 1.262 -144 I HN 0.480 nan 8.210 nan 0.000 0.443 -143 N N 3.072 121.818 118.700 0.076 0.000 3.106 -143 N HA 0.562 5.303 4.740 0.000 0.000 0.253 -143 N C -0.864 174.532 175.510 -0.189 0.000 1.506 -143 N CA -0.370 52.750 53.050 0.115 0.000 0.876 -143 N CB 2.334 40.808 38.487 -0.022 0.000 1.452 -143 N HN 0.605 nan 8.380 nan 0.000 0.542 -142 G N -0.044 108.302 108.800 -0.757 0.000 2.601 -142 G HA2 0.469 4.429 3.960 0.000 0.000 0.317 -142 G HA3 0.469 4.429 3.960 0.000 0.000 0.317 -142 G C -1.902 172.013 174.900 -1.642 0.000 1.246 -142 G CA -1.126 43.144 45.100 -1.384 0.000 1.012 -142 G HN 0.328 nan 8.290 nan 0.000 0.494 -141 P HA -0.150 nan 4.420 nan 0.000 0.217 -141 P C 1.453 177.970 177.300 -1.304 0.000 1.151 -141 P CA 1.932 63.871 63.100 -1.935 0.000 0.849 -141 P CB -0.040 30.953 31.700 -1.178 0.000 0.787 -140 W N -0.205 120.809 121.300 -0.477 0.000 2.387 -140 W HA -0.027 4.633 4.660 0.000 0.000 0.272 -140 W C 1.838 178.270 176.519 -0.145 0.000 1.224 -140 W CA 0.978 58.174 57.345 -0.248 0.000 1.210 -140 W CB -1.910 27.463 29.460 -0.145 0.000 1.125 -140 W HN -0.129 nan 8.180 nan 0.000 0.572 -139 A N -0.101 122.423 122.820 -0.493 0.000 2.169 -139 A HA 0.040 4.361 4.320 0.000 0.000 0.212 -139 A C 1.552 179.120 177.584 -0.028 0.000 1.153 -139 A CA 0.783 52.742 52.037 -0.130 0.000 0.756 -139 A CB -1.102 17.794 19.000 -0.172 0.000 0.813 -139 A HN 0.422 nan 8.150 nan 0.000 0.471 -138 W N -0.060 121.146 121.300 -0.157 0.000 2.388 -138 W HA -0.049 4.611 4.660 0.000 0.000 0.294 -138 W C 2.647 179.100 176.519 -0.110 0.000 1.212 -138 W CA 0.457 57.696 57.345 -0.175 0.000 1.271 -138 W CB -1.497 27.951 29.460 -0.020 0.000 1.126 -138 W HN 0.387 nan 8.180 nan 0.000 0.535 -137 S N 0.926 116.738 115.700 0.187 0.000 2.368 -137 S HA -0.232 4.238 4.470 0.000 0.000 0.226 -137 S C 1.762 176.408 174.600 0.077 0.000 1.044 -137 S CA 2.030 60.305 58.200 0.126 0.000 1.062 -137 S CB -0.371 62.882 63.200 0.088 0.000 0.931 -137 S HN 0.177 nan 8.310 nan 0.000 0.440 -136 N N 1.233 119.969 118.700 0.060 0.000 2.223 -136 N HA 0.014 4.754 4.740 0.000 0.000 0.185 -136 N C 1.664 177.182 175.510 0.014 0.000 1.016 -136 N CA 1.243 54.320 53.050 0.046 0.000 0.863 -136 N CB -0.511 38.016 38.487 0.067 0.000 0.983 -136 N HN 0.531 nan 8.380 nan 0.000 0.429 -135 I N 0.642 121.178 120.570 -0.057 0.000 2.353 -135 I HA -0.181 3.990 4.170 0.000 0.000 0.248 -135 I C 1.434 177.524 176.117 -0.044 0.000 1.119 -135 I CA 0.888 62.094 61.300 -0.155 0.000 1.417 -135 I CB -0.232 37.422 38.000 -0.576 0.000 1.078 -135 I HN -0.080 nan 8.210 nan 0.000 0.421 -134 D N 0.874 121.298 120.400 0.040 0.000 2.123 -134 D HA -0.152 4.488 4.640 0.000 0.000 0.196 -134 D C 2.257 178.609 176.300 0.086 0.000 0.992 -134 D CA 1.660 55.745 54.000 0.142 0.000 0.833 -134 D CB -0.379 40.513 40.800 0.153 0.000 0.954 -134 D HN 0.246 nan 8.370 nan 0.000 0.455 -133 T N 0.049 114.637 114.554 0.058 0.000 2.821 -133 T HA -0.130 4.220 4.350 0.000 0.000 0.267 -133 T C 2.061 176.781 174.700 0.033 0.000 1.046 -133 T CA 1.622 63.748 62.100 0.043 0.000 1.139 -133 T CB -0.258 68.632 68.868 0.036 0.000 0.871 -133 T HN 0.232 nan 8.240 nan 0.000 0.454 -132 S N 0.554 116.271 115.700 0.029 0.000 2.447 -132 S HA -0.047 4.423 4.470 0.000 0.000 0.233 -132 S C 1.244 175.852 174.600 0.012 0.000 1.006 -132 S CA 1.245 59.454 58.200 0.015 0.000 0.957 -132 S CB -0.235 62.968 63.200 0.005 0.000 0.773 -132 S HN 0.338 nan 8.310 nan 0.000 0.507 -131 K N -0.841 119.580 120.400 0.036 0.000 3.553 -131 K HA -0.098 4.223 4.320 0.000 0.000 0.303 -131 K C -0.289 176.330 176.600 0.031 0.000 1.327 -131 K CA 0.857 57.166 56.287 0.036 0.000 0.983 -131 K CB -2.488 30.021 32.500 0.014 0.000 1.275 -131 K HN 0.388 nan 8.250 nan 0.000 0.453 -130 V N 2.070 121.997 119.914 0.021 0.000 2.617 -130 V HA -0.065 4.056 4.120 0.000 0.000 0.304 -130 V C 0.847 176.996 176.094 0.091 0.000 1.040 -130 V CA 0.141 62.436 62.300 -0.009 0.000 1.149 -130 V CB 0.684 32.438 31.823 -0.114 0.000 0.914 -130 V HN 0.290 nan 8.190 nan 0.000 0.487 -129 N N 5.252 123.961 118.700 0.014 0.000 2.421 -129 N HA 0.149 4.889 4.740 0.000 0.000 0.260 -129 N C -0.798 174.691 175.510 -0.034 0.000 1.173 -129 N CA -0.170 52.868 53.050 -0.020 0.000 0.960 -129 N CB -0.120 38.331 38.487 -0.061 0.000 1.273 -129 N HN 0.587 nan 8.380 nan 0.000 0.497 -128 Y N 0.534 120.740 120.300 -0.157 0.000 2.487 -128 Y HA 0.863 5.413 4.550 0.001 0.000 0.337 -128 Y C 0.342 175.996 175.900 -0.410 0.000 1.076 -128 Y CA -1.537 56.432 58.100 -0.218 0.000 1.115 -128 Y CB 0.827 39.285 38.460 -0.003 0.000 1.235 -128 Y HN 0.259 nan 8.280 nan 0.000 0.468 -127 G N 0.971 109.323 108.800 -0.746 0.000 2.473 -127 G HA2 0.599 4.559 3.960 0.000 0.000 0.321 -127 G HA3 0.599 4.559 3.960 0.000 0.000 0.321 -127 G C -1.952 172.769 174.900 -0.300 0.000 1.200 -127 G CA -1.171 43.486 45.100 -0.739 0.000 0.963 -127 G HN 0.678 nan 8.290 nan 0.000 0.483 -126 V N 0.392 120.216 119.914 -0.151 0.000 2.444 -126 V HA 0.726 4.846 4.120 0.000 0.000 0.294 -126 V C 0.223 176.353 176.094 0.060 0.000 1.022 -126 V CA -0.444 61.839 62.300 -0.028 0.000 0.850 -126 V CB 1.213 32.912 31.823 -0.207 0.000 0.992 -126 V HN 0.924 nan 8.190 nan 0.000 0.426 -125 T N 2.760 117.385 114.554 0.117 0.000 2.804 -125 T HA 0.522 4.872 4.350 0.000 0.000 0.290 -125 T C -0.790 173.915 174.700 0.008 0.000 1.099 -125 T CA -0.358 61.777 62.100 0.059 0.000 1.011 -125 T CB 2.013 70.906 68.868 0.043 0.000 1.291 -125 T HN 0.466 nan 8.240 nan 0.000 0.523 -124 V N 3.009 122.909 119.914 -0.023 0.000 2.673 -124 V HA 0.304 4.425 4.120 0.000 0.000 0.303 -124 V C 0.283 176.338 176.094 -0.065 0.000 1.046 -124 V CA 0.045 62.325 62.300 -0.033 0.000 1.126 -124 V CB -0.055 31.746 31.823 -0.038 0.000 0.934 -124 V HN 0.710 nan 8.190 nan 0.000 0.487 -123 L N 8.427 129.619 121.223 -0.052 0.000 2.483 -123 L HA 0.231 4.571 4.340 0.000 0.000 0.276 -123 L C -1.914 174.889 176.870 -0.111 0.000 1.213 -123 L CA -1.160 53.629 54.840 -0.085 0.000 0.843 -123 L CB 0.105 42.158 42.059 -0.010 0.000 1.107 -123 L HN 0.560 nan 8.230 nan 0.000 0.487 -122 P HA 0.062 nan 4.420 nan 0.000 0.269 -122 P C -0.611 176.695 177.300 0.011 0.000 1.215 -122 P CA -0.423 62.518 63.100 -0.266 0.000 0.780 -122 P CB 0.415 31.675 31.700 -0.734 0.000 0.898 -121 T N -0.866 113.720 114.554 0.055 0.000 2.882 -121 T HA 0.495 4.845 4.350 0.000 0.000 0.287 -121 T C -0.670 174.220 174.700 0.317 0.000 1.014 -121 T CA -0.305 61.881 62.100 0.145 0.000 1.049 -121 T CB 0.203 69.094 68.868 0.039 0.000 1.001 -121 T HN 0.197 nan 8.240 nan 0.000 0.525 -120 F N 1.507 121.481 119.950 0.040 0.000 2.518 -120 F HA 0.462 4.989 4.527 0.000 0.000 0.323 -120 F C 0.533 176.265 175.800 -0.112 0.000 1.129 -120 F CA -1.391 56.552 58.000 -0.095 0.000 0.920 -120 F CB 1.360 40.206 39.000 -0.257 0.000 1.160 -120 F HN 0.868 nan 8.300 nan 0.000 0.440 -119 K N 4.322 124.251 120.400 -0.785 0.000 2.975 -119 K HA -0.230 4.090 4.320 0.000 0.000 0.257 -119 K C 0.942 177.383 176.600 -0.266 0.000 1.005 -119 K CA 0.911 56.851 56.287 -0.578 0.000 0.738 -119 K CB -1.772 30.299 32.500 -0.716 0.000 1.236 -119 K HN 1.423 nan 8.250 nan 0.000 0.483 -118 G N -0.526 108.175 108.800 -0.164 0.000 2.184 -118 G HA2 -0.315 3.645 3.960 0.000 0.000 0.264 -118 G HA3 -0.315 3.645 3.960 0.000 0.000 0.264 -118 G C -0.081 174.783 174.900 -0.059 0.000 0.975 -118 G CA 0.587 45.632 45.100 -0.090 0.000 0.642 -118 G HN 0.317 nan 8.290 nan 0.000 0.536 -117 Q N 0.530 120.297 119.800 -0.055 0.000 2.230 -117 Q HA 0.471 4.811 4.340 0.000 0.000 0.253 -117 Q C -2.501 173.513 176.000 0.024 0.000 0.919 -117 Q CA -2.060 53.732 55.803 -0.019 0.000 0.908 -117 Q CB 1.648 30.371 28.738 -0.025 0.000 1.245 -117 Q HN 0.201 nan 8.270 nan 0.000 0.437 -116 P HA 0.046 nan 4.420 nan 0.000 0.269 -116 P C -0.518 176.805 177.300 0.039 0.000 1.209 -116 P CA 0.099 63.216 63.100 0.027 0.000 0.776 -116 P CB 0.586 32.291 31.700 0.008 0.000 0.876 -115 S N 2.258 118.000 115.700 0.070 0.000 2.549 -115 S HA 0.121 4.591 4.470 0.000 0.000 0.279 -115 S C 0.270 174.871 174.600 0.002 0.000 1.321 -115 S CA -0.232 58.001 58.200 0.055 0.000 1.054 -115 S CB -0.055 63.238 63.200 0.154 0.000 0.899 -115 S HN 0.278 nan 8.310 nan 0.000 0.497 -114 K N 3.607 123.969 120.400 -0.063 0.000 2.499 -114 K HA 0.266 4.586 4.320 0.000 0.000 0.215 -114 K C -2.692 173.897 176.600 -0.018 0.000 1.041 -114 K CA -1.782 54.476 56.287 -0.049 0.000 1.031 -114 K CB 0.913 33.360 32.500 -0.088 0.000 1.479 -114 K HN 0.394 nan 8.250 nan 0.000 0.518 -113 P HA 0.026 nan 4.420 nan 0.000 0.271 -113 P C -0.526 176.952 177.300 0.295 0.000 1.216 -113 P CA -0.314 62.862 63.100 0.127 0.000 0.776 -113 P CB 0.480 32.217 31.700 0.060 0.000 0.881 -112 F N 2.340 122.501 119.950 0.352 0.000 2.471 -112 F HA 0.062 4.589 4.527 0.000 0.000 0.365 -112 F C 0.574 176.566 175.800 0.321 0.000 1.095 -112 F CA -0.590 57.623 58.000 0.355 0.000 1.174 -112 F CB 0.069 39.304 39.000 0.391 0.000 1.105 -112 F HN -0.006 nan 8.300 nan 0.000 0.535 -111 V N 4.889 125.118 119.914 0.525 0.000 2.530 -111 V HA 0.475 4.595 4.120 0.000 0.000 0.282 -111 V C 0.736 177.064 176.094 0.391 0.000 1.048 -111 V CA -0.454 62.076 62.300 0.384 0.000 0.997 -111 V CB 0.767 32.767 31.823 0.295 0.000 0.987 -111 V HN 0.841 nan 8.190 nan 0.000 0.477 -110 G N 3.265 112.272 108.800 0.345 0.000 2.441 -110 G HA2 0.609 4.569 3.960 0.000 0.000 0.334 -110 G HA3 0.609 4.569 3.960 0.000 0.000 0.334 -110 G C -1.146 173.896 174.900 0.236 0.000 1.161 -110 G CA -0.520 44.752 45.100 0.288 0.000 0.935 -110 G HN 0.557 nan 8.290 nan 0.000 0.488 -109 V N 1.937 122.019 119.914 0.280 0.000 2.376 -109 V HA 0.235 4.355 4.120 0.000 0.000 0.287 -109 V C -0.147 175.942 176.094 -0.008 0.000 1.015 -109 V CA -0.745 61.582 62.300 0.045 0.000 0.834 -109 V CB 1.189 32.903 31.823 -0.182 0.000 1.001 -109 V HN 0.699 nan 8.190 nan 0.000 0.428 -108 L N 5.389 126.591 121.223 -0.036 0.000 2.499 -108 L HA 0.429 4.770 4.340 0.000 0.000 0.273 -108 L C 0.303 177.144 176.870 -0.049 0.000 1.195 -108 L CA 1.310 56.123 54.840 -0.045 0.000 0.882 -108 L CB 0.768 42.832 42.059 0.008 0.000 1.133 -108 L HN 0.763 nan 8.230 nan 0.000 0.483 -107 S N 3.225 118.863 115.700 -0.103 0.000 2.546 -107 S HA 0.852 5.322 4.470 0.000 0.000 0.274 -107 S C -0.907 173.587 174.600 -0.177 0.000 1.121 -107 S CA -0.414 57.653 58.200 -0.221 0.000 0.887 -107 S CB 1.804 64.659 63.200 -0.575 0.000 1.094 -107 S HN 0.895 nan 8.310 nan 0.000 0.474 -106 A N 1.628 124.349 122.820 -0.165 0.000 2.267 -106 A HA 0.777 5.097 4.320 0.000 0.000 0.315 -106 A C 0.286 177.926 177.584 0.094 0.000 1.297 -106 A CA -0.555 51.269 52.037 -0.355 0.000 0.865 -106 A CB 0.242 18.896 19.000 -0.576 0.000 1.165 -106 A HN 0.919 nan 8.150 nan 0.000 0.513 -105 G N 1.389 110.298 108.800 0.182 0.000 2.400 -105 G HA2 0.579 4.539 3.960 0.000 0.000 0.333 -105 G HA3 0.579 4.539 3.960 0.000 0.000 0.333 -105 G C -0.544 174.344 174.900 -0.021 0.000 1.143 -105 G CA -0.627 44.572 45.100 0.166 0.000 0.914 -105 G HN 0.677 nan 8.290 nan 0.000 0.480 -104 I N 1.696 122.285 120.570 0.031 0.000 2.331 -104 I HA 0.119 4.290 4.170 0.000 0.000 0.292 -104 I C 0.146 176.261 176.117 -0.002 0.000 0.998 -104 I CA -0.962 60.345 61.300 0.011 0.000 1.267 -104 I CB 1.483 39.521 38.000 0.064 0.000 1.386 -104 I HN 0.329 nan 8.210 nan 0.000 0.476 -103 N N 4.616 123.309 118.700 -0.012 0.000 2.411 -103 N HA 0.013 4.754 4.740 0.000 0.000 0.261 -103 N C 0.833 176.334 175.510 -0.015 0.000 1.248 -103 N CA 0.303 53.364 53.050 0.020 0.000 0.885 -103 N CB 1.431 39.906 38.487 -0.019 0.000 1.062 -103 N HN 0.787 nan 8.380 nan 0.000 0.471 -102 A N 3.820 126.630 122.820 -0.017 0.000 2.070 -102 A HA -0.027 4.293 4.320 0.000 0.000 0.220 -102 A C 1.787 179.346 177.584 -0.041 0.000 1.159 -102 A CA 1.669 53.693 52.037 -0.021 0.000 0.656 -102 A CB -0.355 18.634 19.000 -0.018 0.000 0.800 -102 A HN 0.741 nan 8.150 nan 0.000 0.453 -101 A N -0.733 122.044 122.820 -0.071 0.000 2.238 -101 A HA 0.346 4.666 4.320 0.000 0.000 0.210 -101 A C 1.357 178.899 177.584 -0.070 0.000 1.179 -101 A CA 0.689 52.679 52.037 -0.078 0.000 0.827 -101 A CB -0.435 18.498 19.000 -0.112 0.000 0.856 -101 A HN 0.487 nan 8.150 nan 0.000 0.488 -100 S N 1.183 116.843 115.700 -0.065 0.000 2.533 -100 S HA 0.276 4.747 4.470 0.000 0.000 0.282 -100 S C -1.376 173.201 174.600 -0.038 0.000 1.304 -100 S CA -0.929 57.235 58.200 -0.060 0.000 1.063 -100 S CB 0.772 63.935 63.200 -0.062 0.000 0.881 -100 S HN 0.259 nan 8.310 nan 0.000 0.493 -99 P HA 0.149 nan 4.420 nan 0.000 0.249 -99 P C -0.260 177.035 177.300 -0.009 0.000 1.229 -99 P CA 0.265 63.353 63.100 -0.020 0.000 0.788 -99 P CB -0.021 31.666 31.700 -0.022 0.000 1.072 -98 N N 0.194 118.887 118.700 -0.013 0.000 2.401 -98 N HA 0.119 4.859 4.740 0.000 0.000 0.264 -98 N C 0.947 176.464 175.510 0.011 0.000 1.238 -98 N CA -0.204 52.846 53.050 0.000 0.000 0.889 -98 N CB 0.480 38.959 38.487 -0.014 0.000 1.196 -98 N HN 0.195 nan 8.380 nan 0.000 0.511 -97 K N 0.620 121.030 120.400 0.017 0.000 2.097 -97 K HA -0.096 4.224 4.320 0.000 0.000 0.206 -97 K C 1.277 177.911 176.600 0.057 0.000 1.049 -97 K CA 0.927 57.234 56.287 0.034 0.000 0.933 -97 K CB 0.321 32.841 32.500 0.033 0.000 0.717 -97 K HN 0.071 nan 8.250 nan 0.000 0.442 -96 E N 1.184 121.419 120.200 0.058 0.000 2.051 -96 E HA -0.122 4.229 4.350 0.000 0.000 0.192 -96 E C 2.126 178.793 176.600 0.111 0.000 0.991 -96 E CA 0.956 57.401 56.400 0.075 0.000 0.799 -96 E CB -0.291 29.448 29.700 0.064 0.000 0.748 -96 E HN 0.258 nan 8.360 nan 0.000 0.449 -95 L N 0.421 121.715 121.223 0.119 0.000 2.043 -95 L HA -0.222 4.118 4.340 0.000 0.000 0.212 -95 L C 2.506 179.455 176.870 0.130 0.000 1.075 -95 L CA 1.456 56.413 54.840 0.195 0.000 0.752 -95 L CB -0.572 41.582 42.059 0.159 0.000 0.891 -95 L HN 0.068 nan 8.230 nan 0.000 0.432 -94 A N -0.202 122.646 122.820 0.045 0.000 1.898 -94 A HA -0.233 4.088 4.320 0.000 0.000 0.216 -94 A C 2.439 180.069 177.584 0.077 0.000 1.181 -94 A CA 1.845 53.894 52.037 0.019 0.000 0.620 -94 A CB -0.439 18.567 19.000 0.009 0.000 0.819 -94 A HN 0.340 nan 8.150 nan 0.000 0.442 -93 K N -0.318 120.135 120.400 0.087 0.000 2.057 -93 K HA -0.171 4.149 4.320 0.000 0.000 0.207 -93 K C 1.853 178.463 176.600 0.018 0.000 1.049 -93 K CA 1.448 57.767 56.287 0.054 0.000 0.931 -93 K CB -0.193 32.364 32.500 0.095 0.000 0.714 -93 K HN 0.482 nan 8.250 nan 0.000 0.440 -92 E N 0.186 120.468 120.200 0.137 0.000 2.049 -92 E HA -0.233 4.117 4.350 0.000 0.000 0.198 -92 E C 1.892 178.709 176.600 0.362 0.000 1.007 -92 E CA 1.484 58.042 56.400 0.263 0.000 0.809 -92 E CB -0.412 29.551 29.700 0.439 0.000 0.749 -92 E HN 0.372 nan 8.360 nan 0.000 0.450 -91 F N 1.311 121.325 119.950 0.106 0.000 2.134 -91 F HA -0.167 4.360 4.527 0.001 0.000 0.299 -91 F C 2.204 178.003 175.800 -0.000 0.000 1.097 -91 F CA 1.197 59.119 58.000 -0.129 0.000 1.264 -91 F CB -0.088 38.450 39.000 -0.770 0.000 1.001 -91 F HN -0.093 nan 8.300 nan 0.000 0.479 -90 L N -0.283 120.890 121.223 -0.083 0.000 2.131 -90 L HA -0.099 4.241 4.340 0.000 0.000 0.206 -90 L C 2.333 179.024 176.870 -0.297 0.000 1.087 -90 L CA 1.281 55.968 54.840 -0.256 0.000 0.767 -90 L CB -0.595 41.234 42.059 -0.383 0.000 0.917 -90 L HN 0.138 nan 8.230 nan 0.000 0.441 -89 E N -0.035 119.965 120.200 -0.333 0.000 2.060 -89 E HA -0.088 4.262 4.350 0.000 0.000 0.189 -89 E C 1.374 177.929 176.600 -0.075 0.000 0.974 -89 E CA 0.783 56.959 56.400 -0.372 0.000 0.808 -89 E CB 0.109 29.366 29.700 -0.739 0.000 0.768 -89 E HN 0.426 nan 8.360 nan 0.000 0.453 -88 N N -0.878 117.793 118.700 -0.048 0.000 2.299 -88 N HA 0.029 4.769 4.740 0.000 0.000 0.187 -88 N C 0.541 175.853 175.510 -0.329 0.000 1.099 -88 N CA 0.588 53.571 53.050 -0.112 0.000 0.867 -88 N CB 0.381 38.817 38.487 -0.085 0.000 0.974 -88 N HN 0.200 nan 8.380 nan 0.000 0.477 -87 Y N -0.637 119.580 120.300 -0.139 0.000 2.817 -87 Y HA 0.230 4.781 4.550 0.001 0.000 0.257 -87 Y C 1.742 177.458 175.900 -0.306 0.000 1.055 -87 Y CA -0.275 57.698 58.100 -0.211 0.000 1.319 -87 Y CB -0.257 38.065 38.460 -0.230 0.000 1.481 -87 Y HN -0.132 nan 8.280 nan 0.000 0.471 -86 L N 0.259 121.287 121.223 -0.325 0.000 2.068 -86 L HA 0.077 4.417 4.340 0.000 0.000 0.204 -86 L C 0.935 177.743 176.870 -0.102 0.000 1.076 -86 L CA 1.758 56.447 54.840 -0.250 0.000 0.753 -86 L CB -0.555 41.340 42.059 -0.274 0.000 0.910 -86 L HN 0.149 nan 8.230 nan 0.000 0.439 -85 L N 1.072 122.268 121.223 -0.044 0.000 2.919 -85 L HA 0.142 4.482 4.340 0.000 0.000 0.242 -85 L C 0.183 177.053 176.870 -0.000 0.000 1.366 -85 L CA -0.038 54.817 54.840 0.025 0.000 1.212 -85 L CB -1.378 40.780 42.059 0.165 0.000 1.604 -85 L HN 0.377 nan 8.230 nan 0.000 0.433 -84 T N -6.814 107.700 114.554 -0.067 0.000 2.924 -84 T HA 0.296 4.646 4.350 0.000 0.000 0.291 -84 T C 0.656 175.255 174.700 -0.168 0.000 1.045 -84 T CA -0.837 61.207 62.100 -0.093 0.000 1.015 -84 T CB 2.051 70.853 68.868 -0.109 0.000 1.103 -84 T HN -0.032 nan 8.240 nan 0.000 0.496 -83 D N 0.867 121.158 120.400 -0.182 0.000 2.133 -83 D HA -0.089 4.551 4.640 0.000 0.000 0.195 -83 D C 1.810 177.864 176.300 -0.410 0.000 0.997 -83 D CA 1.622 55.410 54.000 -0.354 0.000 0.840 -83 D CB -0.113 40.585 40.800 -0.170 0.000 0.947 -83 D HN 0.802 nan 8.370 nan 0.000 0.452 -82 E N 0.031 120.101 120.200 -0.217 0.000 2.110 -82 E HA -0.035 4.315 4.350 0.000 0.000 0.193 -82 E C 2.241 178.756 176.600 -0.142 0.000 0.988 -82 E CA 1.212 57.519 56.400 -0.154 0.000 0.804 -82 E CB -0.498 29.152 29.700 -0.083 0.000 0.745 -82 E HN 0.325 nan 8.360 nan 0.000 0.458 -81 G N 0.919 109.636 108.800 -0.139 0.000 2.421 -81 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 -81 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 -81 G C 1.534 176.359 174.900 -0.126 0.000 1.171 -81 G CA 0.620 45.655 45.100 -0.107 0.000 0.775 -81 G HN 0.114 nan 8.290 nan 0.000 0.543 -80 L N -0.056 121.046 121.223 -0.202 0.000 2.056 -80 L HA -0.001 4.339 4.340 0.000 0.000 0.207 -80 L C 2.767 179.515 176.870 -0.203 0.000 1.078 -80 L CA 1.173 55.901 54.840 -0.187 0.000 0.749 -80 L CB -0.429 41.501 42.059 -0.215 0.000 0.901 -80 L HN 0.324 nan 8.230 nan 0.000 0.433 -79 E N 0.485 120.436 120.200 -0.415 0.000 2.110 -79 E HA -0.248 4.102 4.350 0.000 0.000 0.193 -79 E C 2.203 178.783 176.600 -0.034 0.000 0.988 -79 E CA 1.220 57.503 56.400 -0.194 0.000 0.804 -79 E CB 0.068 29.638 29.700 -0.216 0.000 0.745 -79 E HN 0.464 nan 8.360 nan 0.000 0.458 -78 A N 0.368 123.155 122.820 -0.056 0.000 1.902 -78 A HA -0.148 4.173 4.320 0.000 0.000 0.217 -78 A C 2.356 179.936 177.584 -0.007 0.000 1.181 -78 A CA 1.494 53.522 52.037 -0.015 0.000 0.623 -78 A CB -0.506 18.489 19.000 -0.008 0.000 0.818 -78 A HN 0.205 nan 8.150 nan 0.000 0.443 -77 V N 0.290 120.196 119.914 -0.013 0.000 2.323 -77 V HA -0.205 3.916 4.120 0.000 0.000 0.244 -77 V C 2.326 178.427 176.094 0.012 0.000 1.041 -77 V CA 2.117 64.408 62.300 -0.016 0.000 1.025 -77 V CB -1.146 30.659 31.823 -0.030 0.000 0.656 -77 V HN 0.692 nan 8.190 nan 0.000 0.451 -76 N N 0.261 118.997 118.700 0.060 0.000 2.205 -76 N HA -0.190 4.551 4.740 0.000 0.000 0.186 -76 N C 1.738 177.306 175.510 0.096 0.000 1.015 -76 N CA 1.319 54.434 53.050 0.109 0.000 0.862 -76 N CB -0.140 38.484 38.487 0.227 0.000 0.986 -76 N HN 0.416 nan 8.380 nan 0.000 0.429 -75 K N -0.653 119.793 120.400 0.077 0.000 2.366 -75 K HA -0.069 4.251 4.320 0.000 0.000 0.198 -75 K C 0.891 177.512 176.600 0.034 0.000 1.044 -75 K CA 0.684 57.011 56.287 0.067 0.000 0.973 -75 K CB 0.105 32.640 32.500 0.059 0.000 0.767 -75 K HN 0.271 nan 8.250 nan 0.000 0.475 -74 D N 0.776 121.178 120.400 0.003 0.000 2.154 -74 D HA -0.022 4.619 4.640 0.000 0.000 0.211 -74 D C -0.077 176.210 176.300 -0.022 0.000 0.977 -74 D CA 1.209 55.185 54.000 -0.039 0.000 0.869 -74 D CB 0.519 41.258 40.800 -0.101 0.000 1.022 -74 D HN -0.177 nan 8.370 nan 0.000 0.461 -73 K N 0.628 121.021 120.400 -0.012 0.000 2.507 -73 K HA 0.380 4.701 4.320 0.000 0.000 0.251 -73 K C -2.693 173.922 176.600 0.026 0.000 0.943 -73 K CA -2.030 54.270 56.287 0.021 0.000 0.794 -73 K CB 2.115 34.634 32.500 0.032 0.000 1.188 -73 K HN -0.040 nan 8.250 nan 0.000 0.428 -72 P HA 0.029 nan 4.420 nan 0.000 0.262 -72 P C 0.545 177.800 177.300 -0.076 0.000 1.182 -72 P CA 0.161 63.244 63.100 -0.029 0.000 0.761 -72 P CB 0.539 32.171 31.700 -0.113 0.000 0.795 -71 L N 1.997 123.217 121.223 -0.004 0.000 2.375 -71 L HA 0.178 4.519 4.340 0.000 0.000 0.215 -71 L C 1.532 178.402 176.870 0.000 0.000 1.108 -71 L CA 1.174 56.030 54.840 0.026 0.000 0.830 -71 L CB -0.663 41.439 42.059 0.072 0.000 0.959 -71 L HN 0.753 nan 8.230 nan 0.000 0.457 -70 G N -0.238 108.527 108.800 -0.058 0.000 2.443 -70 G HA2 -0.134 3.826 3.960 0.000 0.000 0.209 -70 G HA3 -0.134 3.826 3.960 0.000 0.000 0.209 -70 G C -0.461 174.468 174.900 0.049 0.000 1.176 -70 G CA -0.355 44.722 45.100 -0.039 0.000 1.074 -70 G HN 0.318 nan 8.290 nan 0.000 0.577 -69 A N 0.673 123.535 122.820 0.069 0.000 2.343 -69 A HA 0.714 5.034 4.320 0.000 0.000 0.305 -69 A C 0.943 178.579 177.584 0.088 0.000 1.308 -69 A CA 0.557 52.641 52.037 0.078 0.000 0.949 -69 A CB -0.274 18.774 19.000 0.079 0.000 1.148 -69 A HN 2.280 nan 8.150 nan 0.000 0.545 -68 V N 0.630 120.610 119.914 0.109 0.000 3.096 -68 V HA 0.450 4.570 4.120 0.000 0.000 0.306 -68 V C 1.241 177.420 176.094 0.142 0.000 1.088 -68 V CA 0.375 62.752 62.300 0.129 0.000 1.129 -68 V CB 0.560 32.508 31.823 0.209 0.000 1.014 -68 V HN 1.074 nan 8.190 nan 0.000 0.486 -67 A N 3.098 125.951 122.820 0.055 0.000 2.119 -67 A HA 0.238 4.558 4.320 0.000 0.000 0.216 -67 A C 1.077 178.642 177.584 -0.032 0.000 1.152 -67 A CA 0.508 52.539 52.037 -0.010 0.000 0.708 -67 A CB -0.446 18.429 19.000 -0.208 0.000 0.805 -67 A HN 1.009 nan 8.150 nan 0.000 0.460 -66 L N 0.530 121.744 121.223 -0.016 0.000 2.315 -66 L HA 0.237 4.577 4.340 0.000 0.000 0.283 -66 L C 1.058 177.867 176.870 -0.101 0.000 1.089 -66 L CA 0.033 54.817 54.840 -0.093 0.000 0.833 -66 L CB 0.479 42.521 42.059 -0.028 0.000 1.170 -66 L HN 0.230 nan 8.230 nan 0.000 0.442 -65 K N 1.546 121.742 120.400 -0.339 0.000 2.044 -65 K HA -0.196 4.124 4.320 0.000 0.000 0.210 -65 K C 1.877 178.425 176.600 -0.088 0.000 1.049 -65 K CA 1.982 58.020 56.287 -0.413 0.000 0.927 -65 K CB -0.114 32.109 32.500 -0.461 0.000 0.713 -65 K HN 0.910 nan 8.250 nan 0.000 0.443 -64 S N -0.298 115.378 115.700 -0.041 0.000 2.428 -64 S HA -0.152 4.318 4.470 0.000 0.000 0.230 -64 S C 1.882 176.560 174.600 0.130 0.000 1.014 -64 S CA 0.723 58.943 58.200 0.033 0.000 0.957 -64 S CB -0.312 62.898 63.200 0.018 0.000 0.784 -64 S HN 0.358 nan 8.310 nan 0.000 0.499 -63 Y N 1.932 122.231 120.300 -0.002 0.000 2.479 -63 Y HA 0.294 4.844 4.550 0.000 0.000 0.283 -63 Y C 2.271 178.208 175.900 0.062 0.000 1.109 -63 Y CA 0.732 58.847 58.100 0.026 0.000 1.239 -63 Y CB -0.275 38.196 38.460 0.018 0.000 1.108 -63 Y HN 0.262 nan 8.280 nan 0.000 0.548 -62 E N 1.061 121.311 120.200 0.082 0.000 2.153 -62 E HA -0.212 4.138 4.350 0.000 0.000 0.194 -62 E C 1.697 178.319 176.600 0.037 0.000 0.988 -62 E CA 1.786 58.226 56.400 0.068 0.000 0.811 -62 E CB -0.184 29.698 29.700 0.303 0.000 0.746 -62 E HN 0.561 nan 8.360 nan 0.000 0.466 -61 E N -0.165 120.075 120.200 0.066 0.000 2.265 -61 E HA -0.174 4.176 4.350 0.000 0.000 0.196 -61 E C 1.676 178.275 176.600 -0.003 0.000 0.996 -61 E CA 1.256 57.686 56.400 0.050 0.000 0.832 -61 E CB 0.059 29.795 29.700 0.060 0.000 0.756 -61 E HN 0.462 nan 8.360 nan 0.000 0.491 -60 E N -0.001 120.160 120.200 -0.064 0.000 2.099 -60 E HA -0.033 4.317 4.350 0.000 0.000 0.191 -60 E C 2.110 178.631 176.600 -0.132 0.000 0.962 -60 E CA 0.377 56.722 56.400 -0.092 0.000 0.826 -60 E CB -0.012 29.624 29.700 -0.106 0.000 0.788 -60 E HN 0.245 nan 8.360 nan 0.000 0.461 -59 L N 1.240 122.327 121.223 -0.228 0.000 2.201 -59 L HA -0.064 4.276 4.340 0.000 0.000 0.212 -59 L C 2.593 179.431 176.870 -0.053 0.000 1.105 -59 L CA 0.648 55.391 54.840 -0.162 0.000 0.775 -59 L CB -0.582 41.349 42.059 -0.213 0.000 0.913 -59 L HN 0.109 nan 8.230 nan 0.000 0.440 -58 A N 0.150 122.949 122.820 -0.035 0.000 2.084 -58 A HA -0.193 4.127 4.320 0.000 0.000 0.221 -58 A C 2.312 179.890 177.584 -0.010 0.000 1.161 -58 A CA 1.399 53.434 52.037 -0.005 0.000 0.653 -58 A CB -0.263 18.744 19.000 0.011 0.000 0.802 -58 A HN 0.252 nan 8.150 nan 0.000 0.457 -57 K N 0.462 120.850 120.400 -0.021 0.000 2.057 -57 K HA -0.105 4.215 4.320 0.000 0.000 0.206 -57 K C 0.330 176.911 176.600 -0.031 0.000 1.050 -57 K CA 0.595 56.868 56.287 -0.023 0.000 0.935 -57 K CB -0.626 31.859 32.500 -0.024 0.000 0.715 -57 K HN 0.490 nan 8.250 nan 0.000 0.439 -56 D N 2.538 122.919 120.400 -0.031 0.000 2.426 -56 D HA -0.027 4.613 4.640 0.000 0.000 0.261 -56 D C -1.531 174.731 176.300 -0.063 0.000 1.245 -56 D CA -1.673 52.298 54.000 -0.048 0.000 0.917 -56 D CB 1.053 41.841 40.800 -0.020 0.000 1.123 -56 D HN -0.058 nan 8.370 nan 0.000 0.508 -55 P HA -0.181 nan 4.420 nan 0.000 0.220 -55 P C 1.062 178.285 177.300 -0.128 0.000 1.144 -55 P CA 1.041 64.082 63.100 -0.098 0.000 0.800 -55 P CB 0.295 31.926 31.700 -0.116 0.000 0.772 -54 R N -0.729 119.634 120.500 -0.228 0.000 2.075 -54 R HA -0.018 4.322 4.340 0.000 0.000 0.232 -54 R C 2.405 178.697 176.300 -0.014 0.000 1.126 -54 R CA 0.955 56.830 56.100 -0.376 0.000 0.963 -54 R CB -0.597 29.062 30.300 -1.069 0.000 0.858 -54 R HN 0.177 nan 8.270 nan 0.000 0.435 -53 I N 0.898 121.527 120.570 0.099 0.000 2.315 -53 I HA -0.159 4.011 4.170 0.000 0.000 0.248 -53 I C 2.493 178.668 176.117 0.097 0.000 1.117 -53 I CA 1.131 62.547 61.300 0.193 0.000 1.404 -53 I CB -1.299 36.784 38.000 0.139 0.000 1.071 -53 I HN 0.139 nan 8.210 nan 0.000 0.419 -52 A N 1.139 123.979 122.820 0.034 0.000 1.908 -52 A HA -0.142 4.178 4.320 0.000 0.000 0.218 -52 A C 2.582 180.178 177.584 0.020 0.000 1.181 -52 A CA 2.069 54.113 52.037 0.012 0.000 0.627 -52 A CB -0.735 18.257 19.000 -0.013 0.000 0.818 -52 A HN 0.410 nan 8.150 nan 0.000 0.445 -51 A N -1.123 121.711 122.820 0.022 0.000 1.930 -51 A HA -0.051 4.269 4.320 0.000 0.000 0.217 -51 A C 2.281 179.907 177.584 0.070 0.000 1.175 -51 A CA 2.197 54.253 52.037 0.032 0.000 0.627 -51 A CB -1.224 17.787 19.000 0.018 0.000 0.815 -51 A HN 0.436 nan 8.150 nan 0.000 0.443 -50 T N 0.159 114.788 114.554 0.125 0.000 2.684 -50 T HA -0.155 4.195 4.350 0.000 0.000 0.267 -50 T C 1.921 176.671 174.700 0.084 0.000 1.036 -50 T CA 1.706 63.889 62.100 0.139 0.000 1.148 -50 T CB -0.249 68.738 68.868 0.199 0.000 0.863 -50 T HN 0.291 nan 8.240 nan 0.000 0.436 -49 M N 0.887 120.523 119.600 0.061 0.000 2.254 -49 M HA 0.040 4.520 4.480 0.000 0.000 0.265 -49 M C 2.280 178.585 176.300 0.008 0.000 1.066 -49 M CA 1.117 56.432 55.300 0.026 0.000 1.123 -49 M CB -0.933 31.668 32.600 0.001 0.000 1.388 -49 M HN 0.399 nan 8.290 nan 0.000 0.425 -48 E N 0.364 120.571 120.200 0.011 0.000 2.072 -48 E HA -0.169 4.181 4.350 0.000 0.000 0.190 -48 E C 1.723 178.329 176.600 0.011 0.000 0.982 -48 E CA 0.886 57.287 56.400 0.001 0.000 0.803 -48 E CB 0.189 29.888 29.700 -0.002 0.000 0.755 -48 E HN 0.419 nan 8.360 nan 0.000 0.453 -47 N N 0.556 119.271 118.700 0.026 0.000 2.142 -47 N HA -0.131 4.609 4.740 0.000 0.000 0.186 -47 N C 1.747 177.286 175.510 0.049 0.000 1.023 -47 N CA 1.237 54.308 53.050 0.034 0.000 0.852 -47 N CB -0.284 38.227 38.487 0.041 0.000 0.998 -47 N HN 0.226 nan 8.380 nan 0.000 0.424 -46 A N 1.011 123.865 122.820 0.056 0.000 1.933 -46 A HA -0.204 4.116 4.320 0.000 0.000 0.218 -46 A C 2.173 179.782 177.584 0.042 0.000 1.175 -46 A CA 1.528 53.607 52.037 0.071 0.000 0.628 -46 A CB -0.630 18.413 19.000 0.071 0.000 0.814 -46 A HN 0.386 nan 8.150 nan 0.000 0.444 -45 Q N -0.482 119.321 119.800 0.005 0.000 2.172 -45 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 -45 Q C 1.786 177.788 176.000 0.002 0.000 0.964 -45 Q CA 1.521 57.312 55.803 -0.019 0.000 0.855 -45 Q CB -0.042 28.672 28.738 -0.040 0.000 0.918 -45 Q HN 0.664 nan 8.270 nan 0.000 0.444 -44 K N -0.557 119.851 120.400 0.014 0.000 2.305 -44 K HA 0.071 4.391 4.320 0.000 0.000 0.199 -44 K C 1.022 177.641 176.600 0.032 0.000 1.047 -44 K CA 0.530 56.826 56.287 0.016 0.000 0.976 -44 K CB 0.312 32.818 32.500 0.011 0.000 0.765 -44 K HN 0.223 nan 8.250 nan 0.000 0.474 -43 G N 0.811 109.646 108.800 0.059 0.000 2.666 -43 G HA2 0.167 4.127 3.960 0.000 0.000 0.207 -43 G HA3 0.167 4.127 3.960 0.000 0.000 0.207 -43 G C -0.992 173.991 174.900 0.138 0.000 1.481 -43 G CA -0.248 44.912 45.100 0.099 0.000 1.071 -43 G HN 0.112 nan 8.290 nan 0.000 0.572 -42 E N -1.661 118.685 120.200 0.244 0.000 2.335 -42 E HA 0.348 4.698 4.350 0.000 0.000 0.280 -42 E C -1.392 175.455 176.600 0.412 0.000 0.918 -42 E CA -0.803 55.774 56.400 0.295 0.000 0.765 -42 E CB 2.497 32.400 29.700 0.338 0.000 1.218 -42 E HN 0.248 nan 8.360 nan 0.000 0.425 -41 I N 3.537 124.282 120.570 0.293 0.000 2.692 -41 I HA 0.048 4.219 4.170 0.000 0.000 0.284 -41 I C 0.345 176.629 176.117 0.278 0.000 1.159 -41 I CA 0.578 62.052 61.300 0.290 0.000 1.423 -41 I CB 0.485 38.605 38.000 0.200 0.000 1.380 -41 I HN 0.631 nan 8.210 nan 0.000 0.580 -40 M N 8.780 128.495 119.600 0.193 0.000 2.239 -40 M HA 0.197 4.677 4.480 0.000 0.000 0.348 -40 M C -2.067 174.166 176.300 -0.111 0.000 1.239 -40 M CA -1.340 53.784 55.300 -0.293 0.000 1.114 -40 M CB 0.189 32.498 32.600 -0.486 0.000 1.641 -40 M HN 0.342 nan 8.290 nan 0.000 0.453 -39 P HA -0.019 nan 4.420 nan 0.000 0.268 -39 P C -0.379 176.753 177.300 -0.280 0.000 1.208 -39 P CA 0.149 62.954 63.100 -0.491 0.000 0.777 -39 P CB 0.333 31.474 31.700 -0.932 0.000 0.875 -38 N N 1.899 120.536 118.700 -0.105 0.000 2.187 -38 N HA 0.031 4.771 4.740 0.000 0.000 0.212 -38 N C 0.504 175.925 175.510 -0.147 0.000 1.152 -38 N CA -0.186 52.825 53.050 -0.065 0.000 0.872 -38 N CB -0.695 37.875 38.487 0.138 0.000 1.025 -38 N HN 0.417 nan 8.380 nan 0.000 0.514 -37 I N -2.066 118.402 120.570 -0.169 0.000 2.892 -37 I HA 0.198 4.368 4.170 0.000 0.000 0.287 -37 I C -1.550 174.435 176.117 -0.220 0.000 1.205 -37 I CA -1.360 59.843 61.300 -0.161 0.000 1.409 -37 I CB 0.370 38.240 38.000 -0.217 0.000 1.367 -37 I HN -0.295 nan 8.210 nan 0.000 0.597 -36 P HA -0.134 nan 4.420 nan 0.000 0.221 -36 P C 0.980 178.216 177.300 -0.107 0.000 1.145 -36 P CA 1.312 64.319 63.100 -0.154 0.000 0.795 -36 P CB 0.057 31.702 31.700 -0.091 0.000 0.775 -35 Q N -2.050 117.664 119.800 -0.143 0.000 2.472 -35 Q HA 0.048 4.389 4.340 0.000 0.000 0.208 -35 Q C 1.841 177.897 176.000 0.094 0.000 0.958 -35 Q CA 0.794 56.560 55.803 -0.061 0.000 0.932 -35 Q CB -0.676 27.934 28.738 -0.214 0.000 1.007 -35 Q HN 0.178 nan 8.270 nan 0.000 0.508 -34 M N -0.505 119.099 119.600 0.007 0.000 2.149 -34 M HA -0.158 4.323 4.480 0.000 0.000 0.261 -34 M C 2.102 178.531 176.300 0.215 0.000 1.064 -34 M CA 1.308 56.660 55.300 0.086 0.000 1.102 -34 M CB -1.169 31.404 32.600 -0.045 0.000 1.369 -34 M HN 0.246 nan 8.290 nan 0.000 0.408 -33 S N 0.408 116.197 115.700 0.148 0.000 2.359 -33 S HA -0.161 4.309 4.470 0.000 0.000 0.223 -33 S C 1.999 176.725 174.600 0.210 0.000 1.039 -33 S CA 1.914 60.214 58.200 0.167 0.000 1.042 -33 S CB -0.177 63.049 63.200 0.044 0.000 0.915 -33 S HN 0.529 nan 8.310 nan 0.000 0.439 -32 A N 0.330 123.254 122.820 0.173 0.000 1.930 -32 A HA 0.033 4.354 4.320 0.000 0.000 0.217 -32 A C 1.979 179.704 177.584 0.234 0.000 1.175 -32 A CA 1.551 53.699 52.037 0.184 0.000 0.627 -32 A CB -0.997 18.092 19.000 0.149 0.000 0.815 -32 A HN 0.709 nan 8.150 nan 0.000 0.443 -31 F N -0.720 119.284 119.950 0.088 0.000 2.069 -31 F HA -0.204 4.323 4.527 0.000 0.000 0.298 -31 F C 2.013 177.778 175.800 -0.058 0.000 1.113 -31 F CA 1.808 59.760 58.000 -0.080 0.000 1.214 -31 F CB -0.608 38.229 39.000 -0.271 0.000 0.978 -31 F HN 0.388 nan 8.300 nan 0.000 0.474 -30 W N -1.116 120.100 121.300 -0.140 0.000 2.358 -30 W HA -0.222 4.438 4.660 0.000 0.000 0.303 -30 W C 2.511 178.942 176.519 -0.147 0.000 1.208 -30 W CA 1.361 58.553 57.345 -0.254 0.000 1.274 -30 W CB -0.910 28.555 29.460 0.009 0.000 1.138 -30 W HN 0.218 nan 8.180 nan 0.000 0.515 -29 Y N 0.972 121.343 120.300 0.117 0.000 2.224 -29 Y HA -0.202 4.348 4.550 0.000 0.000 0.289 -29 Y C 2.296 178.199 175.900 0.004 0.000 1.146 -29 Y CA 2.017 60.154 58.100 0.061 0.000 1.182 -29 Y CB -0.737 37.755 38.460 0.053 0.000 0.983 -29 Y HN -0.090 nan 8.280 nan 0.000 0.524 -28 A N -0.511 122.345 122.820 0.060 0.000 1.877 -28 A HA -0.162 4.158 4.320 0.000 0.000 0.216 -28 A C 2.283 179.774 177.584 -0.155 0.000 1.186 -28 A CA 2.123 54.128 52.037 -0.053 0.000 0.620 -28 A CB -1.294 17.709 19.000 0.005 0.000 0.822 -28 A HN 0.338 nan 8.150 nan 0.000 0.443 -27 V N -0.092 119.684 119.914 -0.230 0.000 2.453 -27 V HA -0.214 3.906 4.120 0.000 0.000 0.247 -27 V C 2.575 178.640 176.094 -0.048 0.000 1.048 -27 V CA 2.071 64.274 62.300 -0.162 0.000 1.049 -27 V CB -0.853 30.793 31.823 -0.296 0.000 0.672 -27 V HN 0.674 nan 8.190 nan 0.000 0.457 -26 R N 0.272 120.746 120.500 -0.044 0.000 2.097 -26 R HA -0.223 4.117 4.340 0.000 0.000 0.236 -26 R C 2.385 178.618 176.300 -0.112 0.000 1.135 -26 R CA 2.528 58.605 56.100 -0.039 0.000 0.934 -26 R CB -0.728 29.529 30.300 -0.071 0.000 0.846 -26 R HN 0.512 nan 8.270 nan 0.000 0.431 -25 T N 0.652 115.060 114.554 -0.243 0.000 2.665 -25 T HA -0.191 4.160 4.350 0.000 0.000 0.268 -25 T C 1.816 176.450 174.700 -0.110 0.000 1.035 -25 T CA 1.530 63.497 62.100 -0.222 0.000 1.151 -25 T CB -0.443 68.230 68.868 -0.325 0.000 0.862 -25 T HN 0.530 nan 8.240 nan 0.000 0.438 -24 A N 1.053 123.823 122.820 -0.084 0.000 1.865 -24 A HA -0.081 4.239 4.320 0.000 0.000 0.217 -24 A C 2.627 180.199 177.584 -0.020 0.000 1.191 -24 A CA 1.731 53.743 52.037 -0.041 0.000 0.623 -24 A CB -1.156 17.829 19.000 -0.025 0.000 0.826 -24 A HN 0.346 nan 8.150 nan 0.000 0.444 -23 V N 0.155 120.070 119.914 0.001 0.000 2.287 -23 V HA -0.304 3.816 4.120 0.000 0.000 0.248 -23 V C 2.452 178.547 176.094 0.001 0.000 1.053 -23 V CA 2.212 64.525 62.300 0.021 0.000 1.027 -23 V CB -0.769 31.098 31.823 0.073 0.000 0.646 -23 V HN 0.566 nan 8.190 nan 0.000 0.447 -22 I N 0.275 120.838 120.570 -0.012 0.000 2.179 -22 I HA -0.234 3.937 4.170 0.000 0.000 0.242 -22 I C 2.411 178.512 176.117 -0.027 0.000 1.088 -22 I CA 1.620 62.907 61.300 -0.021 0.000 1.357 -22 I CB -0.505 37.475 38.000 -0.033 0.000 1.051 -22 I HN 0.338 nan 8.210 nan 0.000 0.409 -21 N N 0.960 119.640 118.700 -0.033 0.000 2.104 -21 N HA -0.153 4.588 4.740 0.000 0.000 0.190 -21 N C 1.797 177.294 175.510 -0.023 0.000 1.024 -21 N CA 1.692 54.724 53.050 -0.029 0.000 0.853 -21 N CB -0.391 38.077 38.487 -0.032 0.000 1.008 -21 N HN 0.385 nan 8.380 nan 0.000 0.424 -20 A N 0.433 123.241 122.820 -0.020 0.000 1.897 -20 A HA 0.166 4.486 4.320 0.000 0.000 0.215 -20 A C 2.294 179.865 177.584 -0.022 0.000 1.181 -20 A CA 1.628 53.654 52.037 -0.018 0.000 0.620 -20 A CB -0.801 18.190 19.000 -0.015 0.000 0.821 -20 A HN 0.293 nan 8.150 nan 0.000 0.443 -19 A N 0.426 123.233 122.820 -0.022 0.000 1.902 -19 A HA -0.095 4.225 4.320 0.000 0.000 0.217 -19 A C 2.483 180.048 177.584 -0.031 0.000 1.181 -19 A CA 2.294 54.314 52.037 -0.029 0.000 0.623 -19 A CB -0.945 18.037 19.000 -0.030 0.000 0.818 -19 A HN 1.019 nan 8.150 nan 0.000 0.443 -18 S N -1.685 113.998 115.700 -0.028 0.000 2.481 -18 S HA 0.292 4.762 4.470 0.000 0.000 0.231 -18 S C 1.554 176.139 174.600 -0.025 0.000 0.996 -18 S CA 1.296 59.479 58.200 -0.027 0.000 0.942 -18 S CB -0.491 62.695 63.200 -0.024 0.000 0.768 -18 S HN 2.009 nan 8.310 nan 0.000 0.520 -17 G N 1.354 110.140 108.800 -0.024 0.000 2.159 -17 G HA2 -0.306 3.654 3.960 0.000 0.000 0.256 -17 G HA3 -0.306 3.654 3.960 0.000 0.000 0.256 -17 G C 0.846 175.735 174.900 -0.017 0.000 0.977 -17 G CA 0.380 45.467 45.100 -0.021 0.000 0.652 -17 G HN 0.513 nan 8.290 nan 0.000 0.531 -16 R N -0.409 120.080 120.500 -0.018 0.000 2.105 -16 R HA 0.019 4.360 4.340 0.000 0.000 0.239 -16 R C 1.195 177.487 176.300 -0.013 0.000 1.135 -16 R CA 1.650 57.741 56.100 -0.015 0.000 0.967 -16 R CB 0.006 30.296 30.300 -0.017 0.000 0.861 -16 R HN 0.600 nan 8.270 nan 0.000 0.442 -15 Q N -0.966 118.826 119.800 -0.014 0.000 2.421 -15 Q HA 0.177 4.517 4.340 0.000 0.000 0.280 -15 Q C -0.781 175.213 176.000 -0.011 0.000 1.085 -15 Q CA -0.609 55.187 55.803 -0.011 0.000 0.807 -15 Q CB 2.474 31.205 28.738 -0.012 0.000 1.405 -15 Q HN 0.115 nan 8.270 nan 0.000 0.419 -14 T N -2.435 112.114 114.554 -0.008 0.000 2.701 -14 T HA 0.109 4.460 4.350 0.000 0.000 0.303 -14 T C 1.306 176.002 174.700 -0.007 0.000 1.030 -14 T CA -0.559 61.537 62.100 -0.007 0.000 1.010 -14 T CB 0.412 69.278 68.868 -0.003 0.000 1.007 -14 T HN 0.319 nan 8.240 nan 0.000 0.532 -13 V N 1.250 121.161 119.914 -0.005 0.000 2.295 -13 V HA -0.138 3.982 4.120 0.000 0.000 0.246 -13 V C 2.557 178.649 176.094 -0.003 0.000 1.049 -13 V CA 2.179 64.475 62.300 -0.005 0.000 1.024 -13 V CB -0.932 30.889 31.823 -0.004 0.000 0.648 -13 V HN 0.857 nan 8.190 nan 0.000 0.447 -12 D N -0.122 120.279 120.400 0.001 0.000 2.123 -12 D HA -0.165 4.475 4.640 0.000 0.000 0.196 -12 D C 2.225 178.526 176.300 0.002 0.000 0.992 -12 D CA 1.420 55.422 54.000 0.003 0.000 0.833 -12 D CB -0.177 40.627 40.800 0.006 0.000 0.954 -12 D HN 0.576 nan 8.370 nan 0.000 0.455 -11 E N 0.636 120.837 120.200 0.001 0.000 2.028 -11 E HA -0.099 4.251 4.350 0.000 0.000 0.191 -11 E C 2.169 178.768 176.600 -0.000 0.000 0.988 -11 E CA 1.059 57.460 56.400 0.002 0.000 0.799 -11 E CB -0.136 29.564 29.700 0.000 0.000 0.755 -11 E HN 0.194 nan 8.360 nan 0.000 0.447 -10 A N 1.247 124.064 122.820 -0.005 0.000 1.892 -10 A HA -0.209 4.111 4.320 0.000 0.000 0.218 -10 A C 2.209 179.789 177.584 -0.008 0.000 1.188 -10 A CA 1.399 53.431 52.037 -0.010 0.000 0.631 -10 A CB -0.740 18.252 19.000 -0.013 0.000 0.822 -10 A HN 0.164 nan 8.150 nan 0.000 0.447 -9 L N -1.423 119.798 121.223 -0.004 0.000 2.240 -9 L HA -0.093 4.247 4.340 0.000 0.000 0.211 -9 L C 2.601 179.472 176.870 0.001 0.000 1.106 -9 L CA 0.850 55.689 54.840 -0.002 0.000 0.793 -9 L CB -0.360 41.697 42.059 -0.004 0.000 0.927 -9 L HN 0.247 nan 8.230 nan 0.000 0.446 -8 K N 0.623 121.026 120.400 0.005 0.000 2.009 -8 K HA -0.206 4.114 4.320 0.000 0.000 0.210 -8 K C 1.656 178.266 176.600 0.018 0.000 1.049 -8 K CA 1.734 58.028 56.287 0.012 0.000 0.929 -8 K CB -0.402 32.105 32.500 0.013 0.000 0.714 -8 K HN 0.227 nan 8.250 nan 0.000 0.440 -7 D N 0.120 120.529 120.400 0.015 0.000 2.149 -7 D HA -0.133 4.507 4.640 0.000 0.000 0.198 -7 D C 1.698 178.012 176.300 0.024 0.000 0.990 -7 D CA 1.325 55.337 54.000 0.021 0.000 0.839 -7 D CB -0.105 40.703 40.800 0.012 0.000 0.948 -7 D HN 0.269 nan 8.370 nan 0.000 0.460 -6 A N 0.748 123.573 122.820 0.009 0.000 1.877 -6 A HA -0.253 4.067 4.320 0.000 0.000 0.216 -6 A C 2.183 179.778 177.584 0.019 0.000 1.186 -6 A CA 2.016 54.054 52.037 0.002 0.000 0.620 -6 A CB -0.722 18.268 19.000 -0.017 0.000 0.822 -6 A HN 0.211 nan 8.150 nan 0.000 0.443 -5 Q N -0.329 119.483 119.800 0.019 0.000 2.030 -5 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 -5 Q C 2.009 178.041 176.000 0.053 0.000 0.986 -5 Q CA 2.913 58.731 55.803 0.025 0.000 0.843 -5 Q CB -0.822 27.925 28.738 0.015 0.000 0.904 -5 Q HN 0.556 nan 8.270 nan 0.000 0.420 -4 T N 1.086 115.675 114.554 0.058 0.000 2.720 -4 T HA -0.137 4.213 4.350 0.000 0.000 0.268 -4 T C 1.466 176.227 174.700 0.102 0.000 1.037 -4 T CA 1.381 63.530 62.100 0.081 0.000 1.144 -4 T CB -0.359 68.554 68.868 0.075 0.000 0.864 -4 T HN 0.342 nan 8.240 nan 0.000 0.444 -3 N N 1.460 120.216 118.700 0.093 0.000 2.092 -3 N HA 0.057 4.798 4.740 0.000 0.000 0.189 -3 N C 2.263 177.854 175.510 0.134 0.000 1.040 -3 N CA 1.394 54.513 53.050 0.115 0.000 0.845 -3 N CB -0.818 37.744 38.487 0.125 0.000 1.017 -3 N HN 0.409 nan 8.380 nan 0.000 0.426 -2 A N 0.790 123.685 122.820 0.124 0.000 1.940 -2 A HA 0.032 4.352 4.320 0.000 0.000 0.219 -2 A C 1.939 179.651 177.584 0.214 0.000 1.176 -2 A CA 1.835 53.969 52.037 0.163 0.000 0.631 -2 A CB -0.602 18.467 19.000 0.115 0.000 0.814 -2 A HN 0.328 nan 8.150 nan 0.000 0.446 -1 A N -1.412 121.511 122.820 0.171 0.000 2.327 -1 A HA 0.534 4.855 4.320 0.000 0.000 0.228 -1 A C 1.305 178.990 177.584 0.168 0.000 1.275 -1 A CA 0.918 53.072 52.037 0.196 0.000 0.875 -1 A CB -1.188 17.901 19.000 0.149 0.000 0.925 -1 A HN 1.916 nan 8.150 nan 0.000 0.493 0 A N -0.021 122.895 122.820 0.161 0.000 2.550 0 A HA -0.289 4.032 4.320 0.000 0.000 0.298 0 A C 1.149 178.826 177.584 0.156 0.000 1.485 0 A CA 1.479 53.607 52.037 0.153 0.000 0.780 0 A CB -2.032 17.043 19.000 0.125 0.000 1.045 0 A HN 0.783 nan 8.150 nan 0.000 0.423 1 E N -1.220 119.072 120.200 0.153 0.000 2.150 1 E HA -0.136 4.214 4.350 0.000 0.000 0.193 1 E C 1.394 178.070 176.600 0.127 0.000 0.985 1 E CA 1.300 57.775 56.400 0.125 0.000 0.814 1 E CB -0.131 29.634 29.700 0.109 0.000 0.752 1 E HN 0.905 nan 8.360 nan 0.000 0.466 2 F N 1.020 120.983 119.950 0.022 0.000 2.095 2 F HA -0.224 4.303 4.527 0.000 0.000 0.298 2 F C 2.042 177.830 175.800 -0.019 0.000 1.104 2 F CA 1.801 59.788 58.000 -0.022 0.000 1.232 2 F CB -0.449 38.522 39.000 -0.049 0.000 0.987 2 F HN 0.080 nan 8.300 nan 0.000 0.475 3 A N 0.325 123.257 122.820 0.187 0.000 1.898 3 A HA -0.042 4.278 4.320 0.000 0.000 0.216 3 A C 2.409 180.027 177.584 0.057 0.000 1.181 3 A CA 1.694 53.811 52.037 0.133 0.000 0.620 3 A CB -1.595 17.542 19.000 0.227 0.000 0.819 3 A HN 0.525 nan 8.150 nan 0.000 0.442 4 A N -0.313 122.541 122.820 0.058 0.000 1.917 4 A HA -0.106 4.214 4.320 0.000 0.000 0.219 4 A C 2.149 179.758 177.584 0.042 0.000 1.182 4 A CA 1.927 54.002 52.037 0.064 0.000 0.633 4 A CB -0.671 18.366 19.000 0.062 0.000 0.819 4 A HN 0.754 nan 8.150 nan 0.000 0.448 5 L N -0.730 120.465 121.223 -0.047 0.000 1.994 5 L HA -0.100 4.240 4.340 0.000 0.000 0.208 5 L C 2.252 179.024 176.870 -0.162 0.000 1.071 5 L CA 2.240 57.014 54.840 -0.110 0.000 0.745 5 L CB -0.886 41.073 42.059 -0.168 0.000 0.892 5 L HN 0.346 nan 8.230 nan 0.000 0.431 6 L N -0.575 120.476 121.223 -0.287 0.000 2.013 6 L HA -0.272 4.069 4.340 0.000 0.000 0.212 6 L C 2.595 179.428 176.870 -0.062 0.000 1.073 6 L CA 2.395 57.083 54.840 -0.253 0.000 0.753 6 L CB -1.084 40.761 42.059 -0.358 0.000 0.890 6 L HN 0.607 nan 8.230 nan 0.000 0.432 7 H N -0.622 118.407 119.070 -0.069 0.000 2.319 7 H HA -0.165 4.392 4.556 0.001 0.000 0.299 7 H C 2.430 177.743 175.328 -0.025 0.000 1.092 7 H CA 2.186 58.226 56.048 -0.013 0.000 1.302 7 H CB -0.302 29.470 29.762 0.016 0.000 1.373 7 H HN 0.605 nan 8.280 nan 0.000 0.497 8 S N -0.152 115.522 115.700 -0.043 0.000 2.423 8 S HA -0.092 4.378 4.470 0.000 0.000 0.231 8 S C 2.247 176.776 174.600 -0.118 0.000 1.014 8 S CA 1.085 59.226 58.200 -0.099 0.000 0.965 8 S CB -0.546 62.647 63.200 -0.013 0.000 0.785 8 S HN 0.458 nan 8.310 nan 0.000 0.495 9 L N 0.610 121.768 121.223 -0.107 0.000 2.027 9 L HA -0.012 4.328 4.340 0.000 0.000 0.206 9 L C 2.605 179.407 176.870 -0.113 0.000 1.074 9 L CA 1.246 56.026 54.840 -0.100 0.000 0.745 9 L CB -0.709 41.290 42.059 -0.100 0.000 0.898 9 L HN 0.323 nan 8.230 nan 0.000 0.433 10 L N -0.567 120.574 121.223 -0.137 0.000 2.141 10 L HA -0.176 4.164 4.340 0.000 0.000 0.209 10 L C 2.498 179.264 176.870 -0.174 0.000 1.094 10 L CA 0.793 55.550 54.840 -0.138 0.000 0.763 10 L CB -0.390 41.600 42.059 -0.114 0.000 0.908 10 L HN 0.228 nan 8.230 nan 0.000 0.437 11 E N 0.546 120.595 120.200 -0.252 0.000 2.047 11 E HA -0.186 4.165 4.350 0.000 0.000 0.191 11 E C 2.249 178.777 176.600 -0.119 0.000 0.987 11 E CA 1.435 57.706 56.400 -0.215 0.000 0.799 11 E CB -0.124 29.417 29.700 -0.266 0.000 0.752 11 E HN 0.373 nan 8.360 nan 0.000 0.449 12 A N 0.642 123.400 122.820 -0.103 0.000 1.865 12 A HA -0.298 4.022 4.320 0.000 0.000 0.217 12 A C 2.130 179.677 177.584 -0.062 0.000 1.191 12 A CA 2.142 54.138 52.037 -0.068 0.000 0.623 12 A CB -1.082 17.882 19.000 -0.060 0.000 0.826 12 A HN 0.382 nan 8.150 nan 0.000 0.444 13 N N -1.013 117.645 118.700 -0.071 0.000 2.120 13 N HA -0.174 4.566 4.740 0.000 0.000 0.188 13 N C 1.690 177.164 175.510 -0.060 0.000 1.024 13 N CA 1.717 54.730 53.050 -0.062 0.000 0.852 13 N CB -0.524 37.922 38.487 -0.069 0.000 1.003 13 N HN 0.488 nan 8.380 nan 0.000 0.424 14 c N -0.570 117.989 118.600 -0.069 0.000 2.440 14 c HA 0.089 4.660 4.570 0.000 0.000 0.278 14 c C 2.662 176.731 174.090 -0.035 0.000 1.295 14 c CA 0.976 57.270 56.329 -0.058 0.000 1.738 14 c CB -1.433 41.037 42.510 -0.066 0.000 1.987 14 c HN 0.472 nan 8.230 nan 0.000 0.492 15 S N 0.758 116.437 115.700 -0.036 0.000 2.383 15 S HA -0.045 4.426 4.470 0.000 0.000 0.227 15 S C 1.677 176.264 174.600 -0.022 0.000 1.026 15 S CA 1.209 59.395 58.200 -0.022 0.000 0.981 15 S CB -0.306 62.880 63.200 -0.023 0.000 0.818 15 S HN 0.634 nan 8.310 nan 0.000 0.472 16 L N 1.102 122.308 121.223 -0.029 0.000 2.056 16 L HA -0.113 4.227 4.340 0.000 0.000 0.207 16 L C 2.824 179.679 176.870 -0.026 0.000 1.078 16 L CA 1.184 56.008 54.840 -0.027 0.000 0.749 16 L CB -0.746 41.295 42.059 -0.030 0.000 0.901 16 L HN 0.337 nan 8.230 nan 0.000 0.433 17 A N -0.029 122.774 122.820 -0.028 0.000 1.902 17 A HA -0.231 4.089 4.320 0.000 0.000 0.217 17 A C 2.189 179.761 177.584 -0.021 0.000 1.181 17 A CA 1.562 53.583 52.037 -0.026 0.000 0.623 17 A CB -0.628 18.355 19.000 -0.030 0.000 0.818 17 A HN 0.312 nan 8.150 nan 0.000 0.443 18 L N -0.162 121.051 121.223 -0.015 0.000 2.017 18 L HA -0.081 4.259 4.340 0.000 0.000 0.208 18 L C 2.736 179.593 176.870 -0.022 0.000 1.073 18 L CA 2.199 57.031 54.840 -0.014 0.000 0.745 18 L CB -1.048 41.010 42.059 -0.001 0.000 0.894 18 L HN 0.372 nan 8.230 nan 0.000 0.432 19 A N -0.582 122.226 122.820 -0.020 0.000 1.859 19 A HA -0.310 4.010 4.320 0.000 0.000 0.217 19 A C 2.145 179.714 177.584 -0.024 0.000 1.198 19 A CA 2.207 54.232 52.037 -0.020 0.000 0.629 19 A CB -0.901 18.088 19.000 -0.017 0.000 0.830 19 A HN 0.613 nan 8.150 nan 0.000 0.446 20 E N -0.698 119.487 120.200 -0.024 0.000 2.049 20 E HA -0.224 4.127 4.350 0.000 0.000 0.198 20 E C 2.158 178.738 176.600 -0.032 0.000 1.007 20 E CA 1.291 57.676 56.400 -0.025 0.000 0.809 20 E CB -0.183 29.503 29.700 -0.024 0.000 0.749 20 E HN 0.521 nan 8.360 nan 0.000 0.450 21 E N 0.681 120.857 120.200 -0.040 0.000 2.048 21 E HA -0.215 4.135 4.350 0.000 0.000 0.202 21 E C 2.259 178.820 176.600 -0.065 0.000 1.021 21 E CA 1.107 57.471 56.400 -0.060 0.000 0.825 21 E CB -0.362 29.292 29.700 -0.077 0.000 0.756 21 E HN 0.312 nan 8.360 nan 0.000 0.454 22 L N 0.211 121.400 121.223 -0.056 0.000 2.083 22 L HA -0.192 4.149 4.340 0.000 0.000 0.209 22 L C 2.670 179.518 176.870 -0.036 0.000 1.083 22 L CA 0.578 55.388 54.840 -0.051 0.000 0.752 22 L CB -0.469 41.566 42.059 -0.040 0.000 0.899 22 L HN 0.136 nan 8.230 nan 0.000 0.433 23 L N -0.101 121.105 121.223 -0.029 0.000 1.994 23 L HA -0.191 4.150 4.340 0.000 0.000 0.208 23 L C 2.376 179.235 176.870 -0.020 0.000 1.071 23 L CA 1.687 56.514 54.840 -0.021 0.000 0.745 23 L CB -0.348 41.700 42.059 -0.018 0.000 0.892 23 L HN 0.034 nan 8.230 nan 0.000 0.431 24 L N -0.357 120.852 121.223 -0.023 0.000 2.012 24 L HA -0.246 4.095 4.340 0.000 0.000 0.210 24 L C 2.377 179.235 176.870 -0.020 0.000 1.073 24 L CA 1.728 56.556 54.840 -0.020 0.000 0.748 24 L CB -0.886 41.160 42.059 -0.022 0.000 0.891 24 L HN 0.407 nan 8.230 nan 0.000 0.431 25 D N -0.086 120.295 120.400 -0.031 0.000 2.269 25 D HA -0.152 4.488 4.640 0.000 0.000 0.191 25 D C 1.118 177.409 176.300 -0.014 0.000 1.007 25 D CA 1.646 55.628 54.000 -0.029 0.000 0.855 25 D CB -0.389 40.380 40.800 -0.052 0.000 0.979 25 D HN 0.252 nan 8.370 nan 0.000 0.452 38 S N 1.953 117.521 115.700 -0.220 0.000 2.622 38 S HA 0.512 4.982 4.470 0.000 0.000 0.283 38 S C -1.517 172.867 174.600 -0.360 0.000 1.197 38 S CA -0.356 57.743 58.200 -0.169 0.000 1.146 38 S CB 0.017 63.264 63.200 0.080 0.000 1.007 38 S HN 0.255 nan 8.310 nan 0.000 0.478 39 Y N -0.002 120.265 120.300 -0.054 0.000 2.488 39 Y HA 0.444 4.994 4.550 0.000 0.000 0.325 39 Y C 0.771 176.561 175.900 -0.183 0.000 1.204 39 Y CA -1.218 56.813 58.100 -0.115 0.000 1.229 39 Y CB 0.539 38.951 38.460 -0.081 0.000 1.274 39 Y HN 0.361 nan 8.280 nan 0.000 0.493 40 c N 2.186 120.683 118.600 -0.171 0.000 2.576 40 c HA 0.198 4.768 4.570 0.000 0.000 0.401 40 c C 0.308 174.379 174.090 -0.032 0.000 1.314 40 c CA -1.036 55.026 56.329 -0.444 0.000 1.855 40 c CB -1.593 39.997 42.510 -1.533 0.000 2.537 40 c HN 0.761 nan 8.230 nan 0.000 0.578 41 N N 1.338 120.121 118.700 0.139 0.000 2.525 41 N HA 0.185 4.925 4.740 0.000 0.000 0.271 41 N C -0.012 175.758 175.510 0.434 0.000 1.194 41 N CA 0.101 53.296 53.050 0.242 0.000 0.964 41 N CB 0.508 39.095 38.487 0.168 0.000 1.126 41 N HN 0.636 nan 8.380 nan 0.000 0.452 42 T N 1.700 116.422 114.554 0.281 0.000 2.849 42 T HA 0.082 4.433 4.350 0.000 0.000 0.289 42 T C 0.161 174.988 174.700 0.212 0.000 1.010 42 T CA 0.121 62.370 62.100 0.249 0.000 1.161 42 T CB -0.274 68.668 68.868 0.123 0.000 0.989 42 T HN 0.575 nan 8.240 nan 0.000 0.523 43 T N 1.288 115.941 114.554 0.165 0.000 2.865 43 T HA 0.650 5.001 4.350 0.000 0.000 0.294 43 T C -1.080 173.653 174.700 0.055 0.000 1.119 43 T CA -1.029 61.122 62.100 0.084 0.000 1.007 43 T CB 1.578 70.467 68.868 0.035 0.000 1.225 43 T HN 0.375 nan 8.240 nan 0.000 0.515 44 L N 2.568 123.819 121.223 0.047 0.000 2.319 44 L HA 0.557 4.898 4.340 0.000 0.000 0.281 44 L C -0.662 176.258 176.870 0.085 0.000 1.005 44 L CA -0.351 54.507 54.840 0.030 0.000 0.828 44 L CB 0.876 42.932 42.059 -0.004 0.000 1.227 44 L HN 0.877 nan 8.230 nan 0.000 0.415 45 D N 2.826 123.300 120.400 0.123 0.000 2.414 45 D HA 0.051 4.691 4.640 0.000 0.000 0.251 45 D C 0.569 176.933 176.300 0.106 0.000 1.252 45 D CA -0.234 53.849 54.000 0.139 0.000 0.999 45 D CB 0.492 41.438 40.800 0.245 0.000 1.093 45 D HN 0.596 nan 8.370 nan 0.000 0.515 46 Q N -0.108 119.738 119.800 0.077 0.000 2.515 46 Q HA -0.031 4.309 4.340 0.000 0.000 0.212 46 Q C 0.869 176.901 176.000 0.054 0.000 0.970 46 Q CA 0.577 56.425 55.803 0.073 0.000 0.941 46 Q CB -0.112 28.660 28.738 0.058 0.000 0.998 46 Q HN 0.503 nan 8.270 nan 0.000 0.518 47 I N -0.486 120.040 120.570 -0.073 0.000 3.854 47 I HA 0.237 4.407 4.170 0.000 0.000 0.312 47 I C 1.306 177.389 176.117 -0.057 0.000 1.273 47 I CA 0.901 62.012 61.300 -0.316 0.000 1.298 47 I CB -0.169 37.352 38.000 -0.798 0.000 1.071 47 I HN 0.356 nan 8.210 nan 0.000 0.428 48 G N 1.413 110.232 108.800 0.033 0.000 2.163 48 G HA2 -0.201 3.760 3.960 0.000 0.000 0.213 48 G HA3 -0.201 3.760 3.960 0.000 0.000 0.213 48 G C 0.321 175.183 174.900 -0.063 0.000 0.991 48 G CA 0.144 45.275 45.100 0.052 0.000 0.653 48 G HN 0.302 nan 8.290 nan 0.000 0.518 49 T N 0.619 115.095 114.554 -0.130 0.000 2.817 49 T HA 0.432 4.782 4.350 0.000 0.000 0.293 49 T C 0.420 174.846 174.700 -0.457 0.000 0.964 49 T CA 0.314 62.195 62.100 -0.364 0.000 1.085 49 T CB 1.886 70.411 68.868 -0.572 0.000 0.921 49 T HN 0.771 nan 8.240 nan 0.000 0.502 50 c N 6.075 124.403 118.600 -0.452 0.000 2.246 50 c HA 0.514 5.084 4.570 0.000 0.000 0.329 50 c C -0.466 173.364 174.090 -0.434 0.000 1.221 50 c CA -1.304 54.831 56.329 -0.323 0.000 1.697 50 c CB -1.636 40.764 42.510 -0.182 0.000 2.312 50 c HN 0.917 nan 8.230 nan 0.000 0.509 51 W N 8.589 129.772 121.300 -0.196 0.000 2.358 51 W HA 0.353 5.013 4.660 0.000 0.000 0.307 51 W C -1.718 174.785 176.519 -0.027 0.000 1.203 51 W CA -2.276 54.922 57.345 -0.244 0.000 1.279 51 W CB 0.436 29.453 29.460 -0.739 0.000 1.264 51 W HN 0.598 nan 8.180 nan 0.000 0.474 52 P HA 0.076 nan 4.420 nan 0.000 0.274 52 P C -0.274 177.232 177.300 0.345 0.000 1.256 52 P CA -0.575 62.654 63.100 0.215 0.000 0.795 52 P CB 0.724 32.500 31.700 0.126 0.000 1.038 53 R N 0.755 121.366 120.500 0.184 0.000 2.504 53 R HA 0.205 4.545 4.340 0.000 0.000 0.291 53 R C -0.370 175.981 176.300 0.085 0.000 0.974 53 R CA 0.870 57.032 56.100 0.103 0.000 1.077 53 R CB -0.245 29.991 30.300 -0.106 0.000 0.926 53 R HN 0.496 nan 8.270 nan 0.000 0.407 54 S N 1.986 117.753 115.700 0.112 0.000 2.595 54 S HA 0.577 5.047 4.470 0.000 0.000 0.281 54 S C -0.998 173.703 174.600 0.168 0.000 1.117 54 S CA -0.831 57.438 58.200 0.114 0.000 0.873 54 S CB 2.026 65.296 63.200 0.116 0.000 1.108 54 S HN 0.771 nan 8.310 nan 0.000 0.477 55 A N 1.262 124.193 122.820 0.185 0.000 2.407 55 A HA 0.677 4.998 4.320 0.000 0.000 0.248 55 A C 0.596 178.145 177.584 -0.059 0.000 1.082 55 A CA -0.198 51.904 52.037 0.108 0.000 0.785 55 A CB -0.307 18.745 19.000 0.087 0.000 1.020 55 A HN 1.265 nan 8.150 nan 0.000 0.489 56 A N 1.041 123.786 122.820 -0.125 0.000 2.546 56 A HA 0.466 4.787 4.320 0.000 0.000 0.243 56 A C 1.605 179.129 177.584 -0.101 0.000 1.063 56 A CA 0.855 52.805 52.037 -0.144 0.000 0.757 56 A CB -0.815 18.100 19.000 -0.141 0.000 0.991 56 A HN 2.757 nan 8.150 nan 0.000 0.503 57 G N 0.704 109.443 108.800 -0.101 0.000 2.176 57 G HA2 0.155 4.115 3.960 0.000 0.000 0.253 57 G HA3 0.155 4.115 3.960 0.000 0.000 0.253 57 G C 0.513 175.390 174.900 -0.038 0.000 0.979 57 G CA 0.402 45.465 45.100 -0.063 0.000 0.641 57 G HN 2.210 nan 8.290 nan 0.000 0.530 58 A N -0.045 122.752 122.820 -0.039 0.000 2.331 58 A HA 0.750 5.071 4.320 0.000 0.000 0.283 58 A C 0.063 177.668 177.584 0.036 0.000 1.142 58 A CA -0.205 51.838 52.037 0.009 0.000 0.812 58 A CB 1.014 20.035 19.000 0.034 0.000 1.074 58 A HN 1.334 nan 8.150 nan 0.000 0.497 59 L N 4.137 125.400 121.223 0.068 0.000 2.260 59 L HA 0.493 4.833 4.340 0.000 0.000 0.289 59 L C -0.455 176.521 176.870 0.176 0.000 1.057 59 L CA 0.169 55.074 54.840 0.108 0.000 0.811 59 L CB 1.071 43.183 42.059 0.089 0.000 1.184 59 L HN 0.422 nan 8.230 nan 0.000 0.429 60 V N 4.980 125.034 119.914 0.234 0.000 2.472 60 V HA 0.463 4.583 4.120 0.000 0.000 0.290 60 V C -0.245 176.063 176.094 0.357 0.000 1.037 60 V CA -0.702 61.788 62.300 0.318 0.000 0.908 60 V CB 1.559 33.672 31.823 0.483 0.000 0.985 60 V HN 0.824 nan 8.190 nan 0.000 0.454 61 E N 4.968 125.312 120.200 0.239 0.000 2.199 61 E HA 0.789 5.139 4.350 0.000 0.000 0.269 61 E C -1.128 175.439 176.600 -0.056 0.000 0.899 61 E CA -1.140 55.277 56.400 0.028 0.000 0.772 61 E CB 2.184 31.809 29.700 -0.126 0.000 1.155 61 E HN 0.360 nan 8.360 nan 0.000 0.408 62 R N 1.936 122.283 120.500 -0.256 0.000 2.807 62 R HA 0.480 4.820 4.340 0.000 0.000 0.276 62 R C -2.737 173.361 176.300 -0.337 0.000 0.979 62 R CA -2.834 53.039 56.100 -0.377 0.000 0.928 62 R CB 0.999 30.843 30.300 -0.762 0.000 1.191 62 R HN 0.450 nan 8.270 nan 0.000 0.471 63 P HA 0.113 nan 4.420 nan 0.000 0.269 63 P C -0.099 177.099 177.300 -0.169 0.000 1.209 63 P CA -0.341 62.657 63.100 -0.169 0.000 0.776 63 P CB 0.437 32.072 31.700 -0.108 0.000 0.876 64 c N 4.638 123.177 118.600 -0.101 0.000 2.665 64 c HA 0.125 4.695 4.570 0.000 0.000 0.416 64 c C -1.479 172.595 174.090 -0.027 0.000 1.305 64 c CA -0.468 55.832 56.329 -0.049 0.000 1.903 64 c CB -1.089 41.429 42.510 0.013 0.000 2.704 64 c HN 0.549 nan 8.230 nan 0.000 0.629 65 P HA 0.044 nan 4.420 nan 0.000 0.269 65 P C 0.287 177.659 177.300 0.121 0.000 1.209 65 P CA 0.384 63.486 63.100 0.003 0.000 0.776 65 P CB 0.524 32.199 31.700 -0.041 0.000 0.876 66 E N 1.463 121.760 120.200 0.161 0.000 2.152 66 E HA -0.121 4.229 4.350 0.000 0.000 0.192 66 E C -0.333 176.481 176.600 0.358 0.000 0.983 66 E CA 0.570 57.103 56.400 0.221 0.000 0.818 66 E CB 0.112 29.910 29.700 0.163 0.000 0.758 66 E HN 0.527 nan 8.360 nan 0.000 0.467 67 Y N -0.645 119.801 120.300 0.243 0.000 2.457 67 Y HA 0.427 4.978 4.550 0.000 0.000 0.343 67 Y C -1.831 174.298 175.900 0.382 0.000 0.994 67 Y CA -1.230 57.053 58.100 0.305 0.000 1.031 67 Y CB 1.408 40.028 38.460 0.266 0.000 1.246 67 Y HN -0.093 nan 8.280 nan 0.000 0.449 68 F N 6.160 125.888 119.950 -0.371 0.000 2.604 68 F HA 0.353 4.880 4.527 0.000 0.000 0.316 68 F C -0.668 174.864 175.800 -0.446 0.000 1.136 68 F CA -1.079 56.742 58.000 -0.298 0.000 0.989 68 F CB 1.186 40.081 39.000 -0.175 0.000 1.258 68 F HN 0.676 nan 8.300 nan 0.000 0.451 69 N N 4.172 122.211 118.700 -1.101 0.000 2.689 69 N HA -0.178 4.562 4.740 0.000 0.000 0.263 69 N C 1.016 176.216 175.510 -0.517 0.000 0.987 69 N CA 1.777 54.362 53.050 -0.775 0.000 0.782 69 N CB -0.828 37.106 38.487 -0.922 0.000 0.903 69 N HN 1.502 nan 8.380 nan 0.000 0.547 70 G N -2.616 105.858 108.800 -0.545 0.000 2.175 70 G HA2 -0.306 3.655 3.960 0.000 0.000 0.265 70 G HA3 -0.306 3.655 3.960 0.000 0.000 0.265 70 G C 0.044 174.786 174.900 -0.264 0.000 0.979 70 G CA 0.583 45.545 45.100 -0.231 0.000 0.663 70 G HN 0.567 nan 8.290 nan 0.000 0.533 71 V N 0.458 120.121 119.914 -0.419 0.000 2.656 71 V HA 0.511 4.631 4.120 0.000 0.000 0.307 71 V C 0.255 176.200 176.094 -0.248 0.000 1.051 71 V CA -1.117 61.009 62.300 -0.290 0.000 0.893 71 V CB 1.978 33.623 31.823 -0.296 0.000 0.999 71 V HN 0.267 nan 8.190 nan 0.000 0.426 72 K N 3.313 123.593 120.400 -0.199 0.000 2.143 72 K HA 0.598 4.918 4.320 0.000 0.000 0.272 72 K C -1.560 174.874 176.600 -0.276 0.000 1.001 72 K CA -0.411 55.844 56.287 -0.055 0.000 0.915 72 K CB 1.363 33.878 32.500 0.026 0.000 1.047 72 K HN 0.524 nan 8.250 nan 0.000 0.458 73 Y N 0.374 120.706 120.300 0.054 0.000 2.509 73 Y HA 0.131 4.681 4.550 0.000 0.000 0.341 73 Y C 0.353 176.277 175.900 0.041 0.000 1.038 73 Y CA -1.185 56.941 58.100 0.043 0.000 1.089 73 Y CB 1.260 39.748 38.460 0.046 0.000 1.241 73 Y HN 0.547 nan 8.280 nan 0.000 0.468 74 N N 0.850 119.657 118.700 0.177 0.000 2.406 74 N HA -0.017 4.723 4.740 0.000 0.000 0.265 74 N C 0.719 176.293 175.510 0.106 0.000 1.203 74 N CA 0.270 53.386 53.050 0.109 0.000 0.945 74 N CB 0.588 39.124 38.487 0.082 0.000 1.165 74 N HN 0.759 nan 8.380 nan 0.000 0.485 75 T N -0.935 113.668 114.554 0.082 0.000 3.160 75 T HA -0.102 4.248 4.350 0.000 0.000 0.257 75 T C 1.348 176.061 174.700 0.021 0.000 1.147 75 T CA 1.014 63.144 62.100 0.049 0.000 1.064 75 T CB -0.630 68.262 68.868 0.040 0.000 0.949 75 T HN 0.504 nan 8.240 nan 0.000 0.526 76 T N -0.797 113.774 114.554 0.030 0.000 3.148 76 T HA 0.231 4.581 4.350 0.000 0.000 0.253 76 T C 0.855 175.568 174.700 0.021 0.000 1.134 76 T CA -0.445 61.667 62.100 0.020 0.000 1.051 76 T CB 0.004 68.887 68.868 0.025 0.000 0.959 76 T HN 0.178 nan 8.240 nan 0.000 0.525 77 R N 1.756 122.271 120.500 0.026 0.000 2.598 77 R HA 0.525 4.865 4.340 0.000 0.000 0.279 77 R C -0.470 175.809 176.300 -0.035 0.000 0.984 77 R CA -0.652 55.464 56.100 0.027 0.000 0.999 77 R CB 0.766 31.103 30.300 0.063 0.000 1.114 77 R HN 0.240 nan 8.270 nan 0.000 0.493 78 N N -0.151 118.497 118.700 -0.087 0.000 2.370 78 N HA 0.453 5.194 4.740 0.000 0.000 0.303 78 N C -0.821 174.423 175.510 -0.443 0.000 1.103 78 N CA -0.407 52.453 53.050 -0.316 0.000 0.848 78 N CB 2.228 40.414 38.487 -0.502 0.000 1.235 78 N HN 0.578 nan 8.380 nan 0.000 0.496 79 A N 1.219 123.742 122.820 -0.495 0.000 2.269 79 A HA 0.737 5.058 4.320 0.000 0.000 0.319 79 A C -1.415 175.873 177.584 -0.492 0.000 1.110 79 A CA -0.278 51.485 52.037 -0.457 0.000 0.847 79 A CB 0.473 19.122 19.000 -0.585 0.000 1.161 79 A HN 0.647 nan 8.150 nan 0.000 0.497 80 Y N -0.535 119.775 120.300 0.018 0.000 2.396 80 Y HA 0.647 5.198 4.550 0.000 0.000 0.332 80 Y C 0.068 175.872 175.900 -0.160 0.000 1.034 80 Y CA -0.432 57.691 58.100 0.038 0.000 1.057 80 Y CB 2.140 40.592 38.460 -0.013 0.000 1.220 80 Y HN 0.822 nan 8.280 nan 0.000 0.440 81 R N 2.026 122.403 120.500 -0.206 0.000 2.604 81 R HA 0.373 4.714 4.340 0.000 0.000 0.281 81 R C -1.502 174.734 176.300 -0.107 0.000 1.020 81 R CA -0.666 55.149 56.100 -0.474 0.000 0.899 81 R CB 1.949 31.332 30.300 -1.529 0.000 1.205 81 R HN 0.825 nan 8.270 nan 0.000 0.450 82 E N 2.975 123.169 120.200 -0.010 0.000 2.227 82 E HA 0.159 4.509 4.350 0.000 0.000 0.282 82 E C -1.217 175.435 176.600 0.088 0.000 1.015 82 E CA -0.497 55.936 56.400 0.055 0.000 0.823 82 E CB 1.383 31.087 29.700 0.007 0.000 1.081 82 E HN 0.546 nan 8.360 nan 0.000 0.396 83 c N 7.283 125.835 118.600 -0.080 0.000 2.225 83 c HA 0.396 4.967 4.570 0.000 0.000 0.328 83 c C 0.221 174.173 174.090 -0.230 0.000 1.187 83 c CA -0.711 55.377 56.329 -0.401 0.000 1.665 83 c CB -1.499 40.625 42.510 -0.643 0.000 2.253 83 c HN 0.671 nan 8.230 nan 0.000 0.497 84 L N 5.617 126.727 121.223 -0.188 0.000 2.473 84 L HA 0.160 4.500 4.340 0.000 0.000 0.268 84 L C 1.692 178.489 176.870 -0.121 0.000 1.215 84 L CA 0.183 54.954 54.840 -0.115 0.000 0.823 84 L CB 0.499 42.513 42.059 -0.076 0.000 1.099 84 L HN 0.695 nan 8.230 nan 0.000 0.483 85 E N 0.881 121.030 120.200 -0.086 0.000 2.267 85 E HA -0.232 4.118 4.350 0.000 0.000 0.197 85 E C 0.824 177.373 176.600 -0.085 0.000 0.998 85 E CA 1.459 57.810 56.400 -0.081 0.000 0.830 85 E CB -0.261 29.403 29.700 -0.060 0.000 0.751 85 E HN 0.671 nan 8.360 nan 0.000 0.491 86 N N -0.357 118.294 118.700 -0.082 0.000 2.314 86 N HA 0.083 4.823 4.740 0.000 0.000 0.200 86 N C 0.834 176.294 175.510 -0.083 0.000 1.135 86 N CA 0.512 53.519 53.050 -0.071 0.000 0.835 86 N CB 0.766 39.223 38.487 -0.051 0.000 0.989 86 N HN 0.116 nan 8.380 nan 0.000 0.478 87 G N -0.606 108.119 108.800 -0.124 0.000 2.147 87 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 87 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 87 G C -0.037 174.757 174.900 -0.177 0.000 1.005 87 G CA 0.604 45.613 45.100 -0.151 0.000 0.713 87 G HN 0.882 nan 8.290 nan 0.000 0.515 88 T N -3.044 111.402 114.554 -0.180 0.000 2.893 88 T HA 0.577 4.927 4.350 0.000 0.000 0.291 88 T C -0.042 174.555 174.700 -0.172 0.000 1.028 88 T CA -0.921 61.093 62.100 -0.144 0.000 0.995 88 T CB 1.567 70.415 68.868 -0.034 0.000 1.051 88 T HN 0.409 nan 8.240 nan 0.000 0.470 89 W N 1.930 123.204 121.300 -0.043 0.000 2.251 89 W HA 0.512 5.172 4.660 0.000 0.000 0.327 89 W C 1.063 177.525 176.519 -0.095 0.000 1.361 89 W CA -0.563 56.724 57.345 -0.096 0.000 1.234 89 W CB 0.346 29.730 29.460 -0.128 0.000 1.212 89 W HN 1.033 nan 8.180 nan 0.000 0.557 90 A N 2.430 125.343 122.820 0.155 0.000 2.587 90 A HA 0.028 4.349 4.320 0.000 0.000 0.235 90 A C 1.507 179.122 177.584 0.051 0.000 1.044 90 A CA 0.692 52.768 52.037 0.064 0.000 0.754 90 A CB 0.194 19.207 19.000 0.022 0.000 0.968 90 A HN 0.838 nan 8.150 nan 0.000 0.509 91 S N 1.760 117.478 115.700 0.031 0.000 2.406 91 S HA -0.036 4.434 4.470 0.000 0.000 0.228 91 S C 0.867 175.468 174.600 0.000 0.000 1.020 91 S CA 1.159 59.371 58.200 0.021 0.000 0.965 91 S CB -0.170 63.044 63.200 0.025 0.000 0.798 91 S HN 0.699 nan 8.310 nan 0.000 0.488 92 K N 1.160 121.558 120.400 -0.004 0.000 2.234 92 K HA 0.472 4.793 4.320 0.000 0.000 0.282 92 K C -1.185 175.393 176.600 -0.037 0.000 1.039 92 K CA -0.401 55.885 56.287 -0.002 0.000 0.928 92 K CB 0.531 33.034 32.500 0.006 0.000 1.039 92 K HN 0.322 nan 8.250 nan 0.000 0.470 93 I N 3.458 124.026 120.570 -0.003 0.000 2.362 93 I HA 0.116 4.286 4.170 0.000 0.000 0.289 93 I C 0.039 176.162 176.117 0.009 0.000 0.994 93 I CA -0.941 60.328 61.300 -0.052 0.000 1.158 93 I CB 1.388 39.400 38.000 0.019 0.000 1.315 93 I HN 0.496 nan 8.210 nan 0.000 0.451 94 N N 5.622 124.294 118.700 -0.046 0.000 2.400 94 N HA 0.035 4.775 4.740 0.000 0.000 0.267 94 N C -0.426 175.056 175.510 -0.046 0.000 1.208 94 N CA 0.520 53.583 53.050 0.021 0.000 0.951 94 N CB 0.150 38.682 38.487 0.075 0.000 1.227 94 N HN 0.464 nan 8.380 nan 0.000 0.488 95 Y N 0.601 120.934 120.300 0.056 0.000 2.636 95 Y HA 0.043 4.594 4.550 0.001 0.000 0.260 95 Y C 2.039 177.951 175.900 0.019 0.000 1.177 95 Y CA -0.215 57.891 58.100 0.010 0.000 1.209 95 Y CB 0.291 38.701 38.460 -0.084 0.000 1.166 95 Y HN 0.587 nan 8.280 nan 0.000 0.531 96 S N -0.859 114.937 115.700 0.160 0.000 2.442 96 S HA -0.187 4.283 4.470 0.000 0.000 0.236 96 S C 1.516 176.188 174.600 0.121 0.000 1.007 96 S CA 1.077 59.349 58.200 0.119 0.000 0.965 96 S CB -0.010 63.239 63.200 0.082 0.000 0.773 96 S HN 0.363 nan 8.310 nan 0.000 0.504 97 Q N 0.076 119.962 119.800 0.143 0.000 2.392 97 Q HA 0.262 4.602 4.340 0.000 0.000 0.203 97 Q C 0.091 176.169 176.000 0.130 0.000 0.917 97 Q CA 0.023 55.909 55.803 0.137 0.000 0.939 97 Q CB -0.280 28.568 28.738 0.184 0.000 1.063 97 Q HN 0.582 nan 8.270 nan 0.000 0.516 98 c N 3.043 121.727 118.600 0.139 0.000 2.383 98 c HA 0.265 4.835 4.570 0.000 0.000 0.350 98 c C 0.709 174.969 174.090 0.282 0.000 1.173 98 c CA -0.770 55.657 56.329 0.162 0.000 1.645 98 c CB -1.090 41.447 42.510 0.046 0.000 2.221 98 c HN 0.219 nan 8.230 nan 0.000 0.528 99 E N 4.781 125.142 120.200 0.268 0.000 2.231 99 E HA 0.301 4.652 4.350 0.000 0.000 0.277 99 E C -2.103 174.606 176.600 0.182 0.000 0.999 99 E CA -1.431 55.098 56.400 0.215 0.000 0.827 99 E CB 1.082 30.845 29.700 0.105 0.000 1.101 99 E HN 0.439 nan 8.360 nan 0.000 0.393 100 P HA 0.017 nan 4.420 nan 0.000 0.269 100 P C -0.376 176.799 177.300 -0.208 0.000 1.217 100 P CA 0.356 63.193 63.100 -0.438 0.000 0.783 100 P CB 0.558 32.049 31.700 -0.348 0.000 0.898 101 I N 1.731 122.167 120.570 -0.224 0.000 2.315 101 I HA 0.332 4.502 4.170 0.000 0.000 0.291 101 I C 0.468 176.521 176.117 -0.108 0.000 1.006 101 I CA -0.402 60.833 61.300 -0.107 0.000 1.265 101 I CB 0.372 38.334 38.000 -0.063 0.000 1.387 101 I HN 0.079 nan 8.210 nan 0.000 0.475 102 L N 4.502 125.682 121.223 -0.072 0.000 2.309 102 L HA 0.446 4.786 4.340 0.000 0.000 0.261 102 L C -0.028 176.818 176.870 -0.040 0.000 1.021 102 L CA -1.155 53.648 54.840 -0.063 0.000 0.823 102 L CB 1.802 43.823 42.059 -0.063 0.000 1.366 102 L HN 0.656 nan 8.230 nan 0.000 0.423 103 D N 0.000 120.379 120.400 -0.036 0.000 6.856 103 D HA 0.000 4.640 4.640 0.000 0.000 0.175 103 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 103 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 103 D HN 0.000 nan 8.370 nan 0.000 0.683