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 3n96_1_A 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 ELLLDGWGPP DATA SEQUENCE LDPEGPYSYc 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 0.000 176.586 176.600 -0.024 0.000 0.988 -369 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 -369 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 -368 I N 1.722 122.271 120.570 -0.035 0.000 2.932 -368 I HA -0.037 4.135 4.170 0.003 0.000 0.295 -368 I C 0.479 176.581 176.117 -0.025 0.000 1.227 -368 I CA 0.456 61.733 61.300 -0.038 0.000 1.429 -368 I CB 0.309 38.274 38.000 -0.057 0.000 1.339 -368 I HN 0.356 nan 8.210 nan 0.000 0.589 -367 E N 5.109 125.297 120.200 -0.020 0.000 2.289 -367 E HA 0.087 4.439 4.350 0.003 0.000 0.278 -367 E C -0.273 176.320 176.600 -0.012 0.000 1.032 -367 E CA -0.366 56.027 56.400 -0.013 0.000 0.854 -367 E CB 0.805 30.500 29.700 -0.007 0.000 1.046 -367 E HN 0.477 nan 8.360 nan 0.000 0.409 -366 E N 0.674 120.869 120.200 -0.008 0.000 2.344 -366 E HA 0.166 4.518 4.350 0.003 0.000 0.270 -366 E C 0.567 177.167 176.600 0.000 0.000 1.021 -366 E CA 0.446 56.843 56.400 -0.004 0.000 0.887 -366 E CB 0.367 30.065 29.700 -0.003 0.000 0.997 -366 E HN 0.769 nan 8.360 nan 0.000 0.429 -365 G N 3.818 112.622 108.800 0.006 0.000 2.141 -365 G HA2 -0.264 3.698 3.960 0.003 0.000 0.231 -365 G HA3 -0.264 3.698 3.960 0.003 0.000 0.231 -365 G C -0.069 174.840 174.900 0.015 0.000 0.984 -365 G CA 0.653 45.761 45.100 0.012 0.000 0.660 -365 G HN 0.611 nan 8.290 nan 0.000 0.525 -364 K N -0.980 119.425 120.400 0.009 0.000 2.399 -364 K HA 0.896 5.218 4.320 0.003 0.000 0.260 -364 K C -1.066 175.522 176.600 -0.021 0.000 1.049 -364 K CA -1.339 54.951 56.287 0.006 0.000 0.890 -364 K CB 1.651 34.150 32.500 -0.001 0.000 1.430 -364 K HN 0.208 nan 8.250 nan 0.000 0.459 -363 L N 1.683 122.872 121.223 -0.056 0.000 2.406 -363 L HA 0.435 4.777 4.340 0.003 0.000 0.272 -363 L C -1.074 175.728 176.870 -0.115 0.000 0.980 -363 L CA -1.240 53.524 54.840 -0.126 0.000 0.831 -363 L CB 2.208 44.107 42.059 -0.267 0.000 1.253 -363 L HN 0.408 nan 8.230 nan 0.000 0.406 -362 V N 4.531 124.389 119.914 -0.092 0.000 2.472 -362 V HA 0.514 4.636 4.120 0.003 0.000 0.290 -362 V C 0.013 176.071 176.094 -0.060 0.000 1.037 -362 V CA -0.362 61.913 62.300 -0.042 0.000 0.908 -362 V CB 2.030 33.850 31.823 -0.005 0.000 0.985 -362 V HN 0.496 nan 8.190 nan 0.000 0.454 -361 I N 3.014 123.617 120.570 0.055 0.000 2.499 -361 I HA 0.378 4.550 4.170 0.003 0.000 0.288 -361 I C -1.348 175.001 176.117 0.386 0.000 1.048 -361 I CA -0.418 60.960 61.300 0.130 0.000 1.062 -361 I CB 2.218 40.290 38.000 0.120 0.000 1.238 -361 I HN 0.536 nan 8.210 nan 0.000 0.426 -360 W N 7.367 128.730 121.300 0.104 0.000 2.316 -360 W HA 0.613 5.275 4.660 0.003 0.000 0.308 -360 W C -0.242 176.398 176.519 0.201 0.000 1.106 -360 W CA -0.960 56.445 57.345 0.100 0.000 1.262 -360 W CB 0.888 30.379 29.460 0.052 0.000 1.233 -360 W HN 0.249 nan 8.180 nan 0.000 0.447 -359 I N 3.199 123.964 120.570 0.326 0.000 2.785 -359 I HA 0.338 4.510 4.170 0.003 0.000 0.302 -359 I C 0.036 176.253 176.117 0.168 0.000 1.069 -359 I CA -0.962 60.477 61.300 0.233 0.000 1.045 -359 I CB 1.650 39.641 38.000 -0.015 0.000 1.236 -359 I HN 0.159 nan 8.210 nan 0.000 0.429 -358 N N 3.228 122.010 118.700 0.136 0.000 2.492 -358 N HA 0.153 4.895 4.740 0.003 0.000 0.260 -358 N C 0.992 176.482 175.510 -0.033 0.000 1.215 -358 N CA 0.925 54.005 53.050 0.051 0.000 0.923 -358 N CB 1.602 40.016 38.487 -0.122 0.000 1.092 -358 N HN 0.762 nan 8.380 nan 0.000 0.448 -357 G N 1.595 110.366 108.800 -0.048 0.000 2.462 -357 G HA2 -0.269 3.693 3.960 0.003 0.000 0.220 -357 G HA3 -0.269 3.693 3.960 0.003 0.000 0.220 -357 G C 0.847 175.751 174.900 0.007 0.000 1.121 -357 G CA 1.048 46.099 45.100 -0.082 0.000 0.758 -357 G HN 0.812 nan 8.290 nan 0.000 0.559 -356 D N 0.252 120.566 120.400 -0.142 0.000 2.277 -356 D HA -0.001 4.641 4.640 0.003 0.000 0.208 -356 D C 1.215 177.440 176.300 -0.125 0.000 0.962 -356 D CA 0.438 54.337 54.000 -0.169 0.000 0.865 -356 D CB 0.009 40.529 40.800 -0.466 0.000 0.939 -356 D HN 0.129 nan 8.370 nan 0.000 0.510 -355 K N 0.446 120.756 120.400 -0.149 0.000 2.273 -355 K HA 0.378 4.700 4.320 0.003 0.000 0.240 -355 K C 1.072 177.632 176.600 -0.068 0.000 1.056 -355 K CA -0.167 56.060 56.287 -0.099 0.000 0.910 -355 K CB 0.074 32.491 32.500 -0.139 0.000 1.196 -355 K HN 0.086 nan 8.250 nan 0.000 0.509 -354 G N 1.645 110.396 108.800 -0.082 0.000 3.458 -354 G HA2 0.123 4.085 3.960 0.003 0.000 0.256 -354 G HA3 0.123 4.085 3.960 0.003 0.000 0.256 -354 G C 0.674 175.485 174.900 -0.148 0.000 0.938 -354 G CA -0.216 44.801 45.100 -0.138 0.000 1.890 -354 G HN 0.578 nan 8.290 nan 0.000 0.639 -353 Y N -1.182 119.051 120.300 -0.111 0.000 2.516 -353 Y HA 0.085 4.637 4.550 0.003 0.000 0.291 -353 Y C 1.866 177.740 175.900 -0.042 0.000 1.131 -353 Y CA 0.568 58.609 58.100 -0.098 0.000 1.281 -353 Y CB -0.362 38.031 38.460 -0.111 0.000 1.013 -353 Y HN 0.370 nan 8.280 nan 0.000 0.554 -352 N N 0.466 119.030 118.700 -0.225 0.000 2.333 -352 N HA 0.009 4.751 4.740 0.003 0.000 0.178 -352 N C 2.154 177.648 175.510 -0.027 0.000 1.018 -352 N CA 0.543 53.546 53.050 -0.077 0.000 0.882 -352 N CB -0.258 38.123 38.487 -0.178 0.000 0.984 -352 N HN 0.521 nan 8.380 nan 0.000 0.434 -351 G N 1.662 110.428 108.800 -0.058 0.000 2.421 -351 G HA2 -0.236 3.726 3.960 0.003 0.000 0.216 -351 G HA3 -0.236 3.726 3.960 0.003 0.000 0.216 -351 G C 1.450 176.364 174.900 0.023 0.000 1.171 -351 G CA 0.458 45.550 45.100 -0.013 0.000 0.775 -351 G HN 0.160 nan 8.290 nan 0.000 0.543 -350 L N 1.435 122.667 121.223 0.015 0.000 2.042 -350 L HA 0.036 4.378 4.340 0.003 0.000 0.210 -350 L C 3.009 179.955 176.870 0.128 0.000 1.076 -350 L CA 2.351 57.224 54.840 0.055 0.000 0.749 -350 L CB -0.599 41.445 42.059 -0.024 0.000 0.893 -350 L HN 0.234 nan 8.230 nan 0.000 0.432 -349 A N -1.316 121.572 122.820 0.114 0.000 2.015 -349 A HA -0.141 4.181 4.320 0.003 0.000 0.219 -349 A C 2.161 179.820 177.584 0.124 0.000 1.163 -349 A CA 1.406 53.517 52.037 0.124 0.000 0.646 -349 A CB -0.500 18.575 19.000 0.125 0.000 0.806 -349 A HN 0.551 nan 8.150 nan 0.000 0.448 -348 E N -0.084 120.178 120.200 0.104 0.000 2.107 -348 E HA -0.091 4.261 4.350 0.003 0.000 0.191 -348 E C 2.106 178.788 176.600 0.136 0.000 0.982 -348 E CA 1.255 57.715 56.400 0.100 0.000 0.809 -348 E CB -0.269 29.472 29.700 0.068 0.000 0.756 -348 E HN 0.434 nan 8.360 nan 0.000 0.459 -347 V N 0.551 120.556 119.914 0.153 0.000 2.515 -347 V HA -0.149 3.973 4.120 0.003 0.000 0.250 -347 V C 2.347 178.646 176.094 0.341 0.000 1.058 -347 V CA 1.786 64.203 62.300 0.194 0.000 1.064 -347 V CB -0.848 31.047 31.823 0.120 0.000 0.675 -347 V HN 0.277 nan 8.190 nan 0.000 0.461 -346 G N -0.504 108.509 108.800 0.355 0.000 2.464 -346 G HA2 -0.195 3.767 3.960 0.003 0.000 0.217 -346 G HA3 -0.195 3.767 3.960 0.003 0.000 0.217 -346 G C 1.625 176.673 174.900 0.246 0.000 1.138 -346 G CA 0.579 45.883 45.100 0.341 0.000 0.793 -346 G HN 0.425 nan 8.290 nan 0.000 0.539 -345 K N 0.548 121.059 120.400 0.185 0.000 2.116 -345 K HA 0.122 4.444 4.320 0.003 0.000 0.203 -345 K C 2.306 178.992 176.600 0.143 0.000 1.052 -345 K CA 0.848 57.216 56.287 0.135 0.000 0.952 -345 K CB -0.116 32.445 32.500 0.102 0.000 0.729 -345 K HN 0.229 nan 8.250 nan 0.000 0.446 -344 K N -0.592 119.918 120.400 0.184 0.000 2.097 -344 K HA -0.151 4.171 4.320 0.003 0.000 0.206 -344 K C 1.954 178.680 176.600 0.211 0.000 1.049 -344 K CA 1.317 57.729 56.287 0.208 0.000 0.933 -344 K CB -0.222 32.434 32.500 0.259 0.000 0.717 -344 K HN 0.122 nan 8.250 nan 0.000 0.442 -343 F N 2.186 122.111 119.950 -0.042 0.000 2.171 -343 F HA -0.162 4.367 4.527 0.004 0.000 0.300 -343 F C 2.186 177.895 175.800 -0.152 0.000 1.090 -343 F CA 1.700 59.468 58.000 -0.386 0.000 1.293 -343 F CB -0.066 38.749 39.000 -0.308 0.000 1.013 -343 F HN 0.167 nan 8.300 nan 0.000 0.486 -342 E N 0.230 120.443 120.200 0.021 0.000 2.031 -342 E HA -0.265 4.087 4.350 0.003 0.000 0.193 -342 E C 2.214 178.764 176.600 -0.083 0.000 0.994 -342 E CA 1.346 57.717 56.400 -0.049 0.000 0.800 -342 E CB -0.095 29.629 29.700 0.040 0.000 0.752 -342 E HN 0.297 nan 8.360 nan 0.000 0.447 -341 K N 0.354 120.744 120.400 -0.016 0.000 2.107 -341 K HA -0.210 4.112 4.320 0.003 0.000 0.211 -341 K C 1.660 178.241 176.600 -0.033 0.000 1.049 -341 K CA 2.104 58.389 56.287 -0.003 0.000 0.927 -341 K CB 0.030 32.554 32.500 0.040 0.000 0.714 -341 K HN 0.164 nan 8.250 nan 0.000 0.452 -340 D N -1.794 118.567 120.400 -0.065 0.000 2.216 -340 D HA -0.045 4.597 4.640 0.003 0.000 0.208 -340 D C 1.769 177.983 176.300 -0.143 0.000 0.960 -340 D CA 1.610 55.577 54.000 -0.054 0.000 0.861 -340 D CB 0.163 41.000 40.800 0.061 0.000 0.985 -340 D HN 0.391 nan 8.370 nan 0.000 0.493 -339 T N -4.247 110.127 114.554 -0.301 0.000 2.969 -339 T HA 0.367 4.719 4.350 0.003 0.000 0.250 -339 T C 1.658 176.222 174.700 -0.225 0.000 1.021 -339 T CA 0.673 62.571 62.100 -0.336 0.000 1.003 -339 T CB 0.991 69.436 68.868 -0.704 0.000 1.040 -339 T HN 0.143 nan 8.240 nan 0.000 0.492 -338 G N 1.782 110.469 108.800 -0.190 0.000 2.141 -338 G HA2 -0.152 3.810 3.960 0.003 0.000 0.242 -338 G HA3 -0.152 3.810 3.960 0.003 0.000 0.242 -338 G C -0.062 174.791 174.900 -0.080 0.000 0.982 -338 G CA 0.014 45.053 45.100 -0.102 0.000 0.662 -338 G HN 0.560 nan 8.290 nan 0.000 0.527 -337 I N 1.369 121.872 120.570 -0.111 0.000 2.306 -337 I HA 0.262 4.434 4.170 0.003 0.000 0.288 -337 I C 0.925 177.076 176.117 0.057 0.000 1.036 -337 I CA -1.098 60.195 61.300 -0.012 0.000 1.221 -337 I CB 1.126 39.152 38.000 0.044 0.000 1.385 -337 I HN 0.141 nan 8.210 nan 0.000 0.472 -336 K N 5.248 125.668 120.400 0.034 0.000 2.504 -336 K HA 0.116 4.438 4.320 0.003 0.000 0.278 -336 K C -0.895 175.725 176.600 0.033 0.000 1.025 -336 K CA 0.247 56.554 56.287 0.034 0.000 1.093 -336 K CB 0.554 33.064 32.500 0.018 0.000 0.873 -336 K HN 0.372 nan 8.250 nan 0.000 0.483 -335 V N 4.652 124.580 119.914 0.023 0.000 2.376 -335 V HA 0.170 4.292 4.120 0.003 0.000 0.287 -335 V C -0.497 175.577 176.094 -0.034 0.000 1.015 -335 V CA -0.729 61.537 62.300 -0.057 0.000 0.834 -335 V CB 1.792 33.551 31.823 -0.107 0.000 1.001 -335 V HN 0.813 nan 8.190 nan 0.000 0.428 -334 T N 4.672 119.206 114.554 -0.033 0.000 2.758 -334 T HA 0.524 4.876 4.350 0.003 0.000 0.285 -334 T C -0.197 174.524 174.700 0.035 0.000 0.981 -334 T CA -0.372 61.736 62.100 0.013 0.000 0.965 -334 T CB 1.556 70.441 68.868 0.027 0.000 0.927 -334 T HN 0.309 nan 8.240 nan 0.000 0.448 -333 V N 4.268 124.219 119.914 0.062 0.000 2.370 -333 V HA 0.430 4.552 4.120 0.003 0.000 0.279 -333 V C 0.198 176.345 176.094 0.088 0.000 1.029 -333 V CA -0.597 61.764 62.300 0.102 0.000 0.870 -333 V CB 1.125 33.021 31.823 0.122 0.000 0.984 -333 V HN 0.848 nan 8.190 nan 0.000 0.451 -332 E N 2.518 122.774 120.200 0.093 0.000 2.336 -332 E HA 0.592 4.944 4.350 0.003 0.000 0.267 -332 E C -1.243 175.265 176.600 -0.153 0.000 0.906 -332 E CA -0.847 55.492 56.400 -0.101 0.000 0.781 -332 E CB 2.217 31.844 29.700 -0.122 0.000 1.261 -332 E HN 0.990 nan 8.360 nan 0.000 0.436 -331 H N -0.850 118.009 119.070 -0.352 0.000 2.380 -331 H HA 0.370 4.928 4.556 0.003 0.000 0.231 -331 H C -2.691 172.425 175.328 -0.352 0.000 1.415 -331 H CA -2.289 53.547 56.048 -0.353 0.000 1.433 -331 H CB -0.435 29.049 29.762 -0.464 0.000 1.544 -331 H HN 0.128 nan 8.280 nan 0.000 0.503 -330 P HA 0.027 nan 4.420 nan 0.000 0.269 -330 P C 0.049 177.183 177.300 -0.277 0.000 1.215 -330 P CA -0.094 62.712 63.100 -0.490 0.000 0.780 -330 P CB 0.955 32.165 31.700 -0.816 0.000 0.898 -329 D N 1.749 122.032 120.400 -0.196 0.000 2.341 -329 D HA 0.058 4.700 4.640 0.003 0.000 0.245 -329 D C 0.289 176.528 176.300 -0.103 0.000 1.106 -329 D CA 0.036 53.974 54.000 -0.103 0.000 0.905 -329 D CB 0.368 41.130 40.800 -0.065 0.000 1.202 -329 D HN 0.331 nan 8.370 nan 0.000 0.426 -328 K N 0.738 121.105 120.400 -0.056 0.000 3.244 -328 K HA -0.220 4.102 4.320 0.003 0.000 0.270 -328 K C 0.961 177.494 176.600 -0.112 0.000 1.016 -328 K CA -0.227 56.020 56.287 -0.066 0.000 0.754 -328 K CB -0.864 31.610 32.500 -0.043 0.000 1.326 -328 K HN 0.296 nan 8.250 nan 0.000 0.465 -327 L N 1.781 122.932 121.223 -0.120 0.000 2.017 -327 L HA -0.179 4.163 4.340 0.003 0.000 0.208 -327 L C 2.356 179.158 176.870 -0.113 0.000 1.073 -327 L CA 2.420 57.203 54.840 -0.094 0.000 0.745 -327 L CB -0.241 41.844 42.059 0.043 0.000 0.894 -327 L HN 0.464 nan 8.230 nan 0.000 0.432 -326 E N -0.581 119.348 120.200 -0.453 0.000 2.482 -326 E HA -0.179 4.173 4.350 0.003 0.000 0.196 -326 E C 1.456 177.955 176.600 -0.170 0.000 1.047 -326 E CA 1.096 57.183 56.400 -0.522 0.000 0.869 -326 E CB -0.248 28.646 29.700 -1.344 0.000 0.836 -326 E HN 0.755 nan 8.360 nan 0.000 0.520 -325 E N 0.543 120.666 120.200 -0.129 0.000 2.340 -325 E HA 0.059 4.411 4.350 0.003 0.000 0.198 -325 E C 1.809 178.397 176.600 -0.021 0.000 0.961 -325 E CA 0.118 56.489 56.400 -0.047 0.000 0.905 -325 E CB 0.256 29.930 29.700 -0.043 0.000 0.884 -325 E HN 0.073 nan 8.360 nan 0.000 0.491 -324 K N 0.565 120.966 120.400 0.003 0.000 2.155 -324 K HA -0.093 4.229 4.320 0.003 0.000 0.203 -324 K C 1.802 178.498 176.600 0.159 0.000 1.052 -324 K CA 0.629 56.951 56.287 0.057 0.000 0.948 -324 K CB -0.035 32.470 32.500 0.008 0.000 0.728 -324 K HN 0.015 nan 8.250 nan 0.000 0.448 -323 F N 2.469 122.453 119.950 0.057 0.000 2.102 -323 F HA -0.062 4.467 4.527 0.003 0.000 0.298 -323 F C -1.315 174.327 175.800 -0.263 0.000 1.105 -323 F CA 0.744 58.698 58.000 -0.076 0.000 1.239 -323 F CB -0.710 38.113 39.000 -0.295 0.000 0.991 -323 F HN 0.052 nan 8.300 nan 0.000 0.474 -322 P HA -0.108 nan 4.420 nan 0.000 0.222 -322 P C 1.276 178.381 177.300 -0.325 0.000 1.153 -322 P CA 1.376 64.154 63.100 -0.536 0.000 0.798 -322 P CB -0.151 31.427 31.700 -0.203 0.000 0.796 -321 Q N 0.067 119.752 119.800 -0.192 0.000 2.030 -321 Q HA -0.122 4.220 4.340 0.003 0.000 0.204 -321 Q C 2.210 178.127 176.000 -0.137 0.000 0.986 -321 Q CA 2.287 58.020 55.803 -0.117 0.000 0.843 -321 Q CB -0.724 27.983 28.738 -0.052 0.000 0.904 -321 Q HN 0.220 nan 8.270 nan 0.000 0.420 -320 V N -2.871 116.954 119.914 -0.149 0.000 2.649 -320 V HA 0.090 4.212 4.120 0.003 0.000 0.248 -320 V C 1.985 177.933 176.094 -0.244 0.000 1.054 -320 V CA 1.302 63.529 62.300 -0.121 0.000 1.073 -320 V CB -0.782 31.051 31.823 0.015 0.000 0.699 -320 V HN 0.271 nan 8.190 nan 0.000 0.463 -319 A N 0.970 123.499 122.820 -0.484 0.000 1.930 -319 A HA 0.150 4.472 4.320 0.003 0.000 0.217 -319 A C 2.516 179.889 177.584 -0.352 0.000 1.175 -319 A CA 2.010 53.708 52.037 -0.564 0.000 0.627 -319 A CB -1.123 17.176 19.000 -1.168 0.000 0.815 -319 A HN 1.018 nan 8.150 nan 0.000 0.443 -318 A N -0.241 122.387 122.820 -0.320 0.000 1.997 -318 A HA -0.173 4.149 4.320 0.003 0.000 0.221 -318 A C 2.217 179.725 177.584 -0.126 0.000 1.172 -318 A CA 2.483 54.406 52.037 -0.191 0.000 0.645 -318 A CB -1.178 17.733 19.000 -0.148 0.000 0.813 -318 A HN 0.916 nan 8.150 nan 0.000 0.454 -317 T N -4.985 109.497 114.554 -0.120 0.000 3.145 -317 T HA 0.436 4.788 4.350 0.003 0.000 0.255 -317 T C 1.146 175.805 174.700 -0.068 0.000 1.039 -317 T CA 0.977 63.035 62.100 -0.071 0.000 0.928 -317 T CB -0.006 68.836 68.868 -0.042 0.000 1.029 -317 T HN 1.806 nan 8.240 nan 0.000 0.554 -316 G N 0.507 109.249 108.800 -0.097 0.000 2.132 -316 G HA2 -0.176 3.786 3.960 0.003 0.000 0.234 -316 G HA3 -0.176 3.786 3.960 0.003 0.000 0.234 -316 G C -0.333 174.518 174.900 -0.082 0.000 0.989 -316 G CA 0.069 45.121 45.100 -0.080 0.000 0.676 -316 G HN 0.723 nan 8.290 nan 0.000 0.522 -315 D N -1.200 119.136 120.400 -0.106 0.000 2.553 -315 D HA 0.772 5.414 4.640 0.003 0.000 0.249 -315 D C 0.805 177.014 176.300 -0.152 0.000 1.062 -315 D CA 1.267 55.212 54.000 -0.090 0.000 1.085 -315 D CB 1.392 42.165 40.800 -0.046 0.000 1.350 -315 D HN 1.365 nan 8.370 nan 0.000 0.575 -314 G N -0.110 108.607 108.800 -0.138 0.000 2.447 -314 G HA2 -0.011 3.951 3.960 0.003 0.000 0.220 -314 G HA3 -0.011 3.951 3.960 0.003 0.000 0.220 -314 G C -2.657 171.971 174.900 -0.452 0.000 1.261 -314 G CA -0.517 44.388 45.100 -0.325 0.000 1.000 -314 G HN 0.529 nan 8.290 nan 0.000 0.515 -313 P HA 0.306 nan 4.420 nan 0.000 0.274 -313 P C -0.006 177.070 177.300 -0.373 0.000 1.237 -313 P CA -0.080 62.553 63.100 -0.777 0.000 0.793 -313 P CB 0.931 31.815 31.700 -1.360 0.000 0.977 -312 D N 0.501 120.754 120.400 -0.245 0.000 2.137 -312 D HA 0.045 4.687 4.640 0.003 0.000 0.202 -312 D C 0.627 176.836 176.300 -0.151 0.000 0.970 -312 D CA 1.410 55.317 54.000 -0.155 0.000 0.837 -312 D CB 0.338 41.062 40.800 -0.126 0.000 0.981 -312 D HN 0.360 nan 8.370 nan 0.000 0.475 -311 I N 1.283 121.751 120.570 -0.170 0.000 2.466 -311 I HA 0.314 4.486 4.170 0.003 0.000 0.289 -311 I C -0.570 175.456 176.117 -0.150 0.000 1.026 -311 I CA -0.625 60.592 61.300 -0.139 0.000 1.078 -311 I CB 3.138 41.103 38.000 -0.058 0.000 1.249 -311 I HN -0.166 nan 8.210 nan 0.000 0.429 -310 I N 5.533 125.944 120.570 -0.265 0.000 2.493 -310 I HA 0.500 4.672 4.170 0.003 0.000 0.298 -310 I C -1.520 174.572 176.117 -0.040 0.000 0.998 -310 I CA -0.554 60.613 61.300 -0.220 0.000 1.137 -310 I CB 1.787 39.294 38.000 -0.821 0.000 1.310 -310 I HN 0.385 nan 8.210 nan 0.000 0.445 -309 F N 7.398 127.467 119.950 0.198 0.000 2.467 -309 F HA 0.552 5.081 4.527 0.003 0.000 0.336 -309 F C -0.494 175.585 175.800 0.465 0.000 1.123 -309 F CA -0.142 58.042 58.000 0.307 0.000 0.964 -309 F CB 1.437 40.558 39.000 0.201 0.000 1.136 -309 F HN 0.450 nan 8.300 nan 0.000 0.447 -308 W N 1.882 123.433 121.300 0.419 0.000 2.929 -308 W HA 0.585 5.247 4.660 0.003 0.000 0.363 -308 W C -1.517 175.187 176.519 0.309 0.000 1.168 -308 W CA -1.189 56.339 57.345 0.305 0.000 1.163 -308 W CB 1.245 30.860 29.460 0.258 0.000 1.455 -308 W HN 0.635 nan 8.180 nan 0.000 0.568 -307 A N 2.275 125.033 122.820 -0.103 0.000 2.445 -307 A HA 0.105 4.427 4.320 0.003 0.000 0.242 -307 A C 1.260 179.032 177.584 0.313 0.000 1.075 -307 A CA 0.749 52.804 52.037 0.032 0.000 0.777 -307 A CB -0.100 18.782 19.000 -0.197 0.000 1.013 -307 A HN 0.742 nan 8.150 nan 0.000 0.493 -306 H N 1.499 120.649 119.070 0.133 0.000 2.545 -306 H HA -0.127 4.431 4.556 0.003 0.000 0.282 -306 H C 0.838 176.310 175.328 0.239 0.000 1.020 -306 H CA 1.253 57.346 56.048 0.075 0.000 1.243 -306 H CB -0.297 29.427 29.762 -0.062 0.000 1.377 -306 H HN 0.817 nan 8.280 nan 0.000 0.581 -305 D N 1.460 121.627 120.400 -0.387 0.000 2.309 -305 D HA -0.163 4.479 4.640 0.003 0.000 0.212 -305 D C 1.647 177.920 176.300 -0.046 0.000 0.968 -305 D CA 0.412 54.282 54.000 -0.218 0.000 0.882 -305 D CB -0.241 40.462 40.800 -0.162 0.000 0.918 -305 D HN 0.346 nan 8.370 nan 0.000 0.503 -304 R N -0.998 119.486 120.500 -0.025 0.000 2.290 -304 R HA 0.131 4.473 4.340 0.003 0.000 0.197 -304 R C 1.737 177.502 176.300 -0.892 0.000 0.913 -304 R CA -0.170 55.643 56.100 -0.478 0.000 1.040 -304 R CB -0.301 29.585 30.300 -0.690 0.000 0.992 -304 R HN 0.194 nan 8.270 nan 0.000 0.500 -303 F N 0.928 120.608 119.950 -0.450 0.000 2.186 -303 F HA -0.010 4.519 4.527 0.003 0.000 0.299 -303 F C 2.534 178.149 175.800 -0.309 0.000 1.090 -303 F CA 1.372 59.216 58.000 -0.260 0.000 1.307 -303 F CB -0.822 38.174 39.000 -0.006 0.000 1.019 -303 F HN 0.109 nan 8.300 nan 0.000 0.489 -302 G N 0.067 108.764 108.800 -0.171 0.000 2.553 -302 G HA2 -0.270 3.692 3.960 0.003 0.000 0.218 -302 G HA3 -0.270 3.692 3.960 0.003 0.000 0.218 -302 G C 2.088 176.621 174.900 -0.611 0.000 1.195 -302 G CA 1.045 45.824 45.100 -0.535 0.000 0.779 -302 G HN 0.503 nan 8.290 nan 0.000 0.577 -301 G N -0.311 108.266 108.800 -0.371 0.000 2.422 -301 G HA2 -0.173 3.789 3.960 0.003 0.000 0.218 -301 G HA3 -0.173 3.789 3.960 0.003 0.000 0.218 -301 G C 1.646 176.482 174.900 -0.106 0.000 1.146 -301 G CA 1.125 46.083 45.100 -0.237 0.000 0.769 -301 G HN 0.423 nan 8.290 nan 0.000 0.547 -300 Y N 1.224 121.439 120.300 -0.142 0.000 2.181 -300 Y HA 0.082 4.634 4.550 0.003 0.000 0.288 -300 Y C 3.044 178.898 175.900 -0.077 0.000 1.146 -300 Y CA 0.110 58.158 58.100 -0.087 0.000 1.164 -300 Y CB -1.118 37.311 38.460 -0.051 0.000 0.982 -300 Y HN 0.272 nan 8.280 nan 0.000 0.515 -299 A N -0.371 122.454 122.820 0.009 0.000 1.930 -299 A HA -0.182 4.140 4.320 0.003 0.000 0.215 -299 A C 2.200 179.784 177.584 0.001 0.000 1.176 -299 A CA 1.437 53.477 52.037 0.005 0.000 0.632 -299 A CB -0.664 18.318 19.000 -0.031 0.000 0.819 -299 A HN 0.359 nan 8.150 nan 0.000 0.445 -298 Q N 0.797 120.518 119.800 -0.131 0.000 2.045 -298 Q HA -0.139 4.203 4.340 0.003 0.000 0.206 -298 Q C 1.849 177.882 176.000 0.054 0.000 0.991 -298 Q CA 2.469 58.299 55.803 0.044 0.000 0.851 -298 Q CB -0.638 28.104 28.738 0.007 0.000 0.911 -298 Q HN 0.495 nan 8.270 nan 0.000 0.418 -297 S N -0.780 114.933 115.700 0.023 0.000 2.660 -297 S HA 0.230 4.702 4.470 0.003 0.000 0.223 -297 S C 0.939 175.548 174.600 0.016 0.000 0.963 -297 S CA 0.567 58.778 58.200 0.019 0.000 0.932 -297 S CB -0.320 62.884 63.200 0.006 0.000 0.775 -297 S HN 0.714 nan 8.310 nan 0.000 0.531 -296 G N 1.163 109.986 108.800 0.038 0.000 2.147 -296 G HA2 -0.243 3.719 3.960 0.003 0.000 0.244 -296 G HA3 -0.243 3.719 3.960 0.003 0.000 0.244 -296 G C 0.475 175.387 174.900 0.020 0.000 1.005 -296 G CA 0.382 45.503 45.100 0.036 0.000 0.713 -296 G HN 0.541 nan 8.290 nan 0.000 0.515 -295 L N -1.140 120.097 121.223 0.023 0.000 2.556 -295 L HA 0.427 4.769 4.340 0.003 0.000 0.226 -295 L C 1.245 178.163 176.870 0.079 0.000 1.089 -295 L CA 0.155 54.987 54.840 -0.013 0.000 0.864 -295 L CB 0.127 42.119 42.059 -0.112 0.000 1.067 -295 L HN 0.173 nan 8.230 nan 0.000 0.477 -294 L N 0.341 121.638 121.223 0.123 0.000 2.317 -294 L HA 0.593 4.935 4.340 0.003 0.000 0.281 -294 L C 0.289 177.225 176.870 0.110 0.000 1.024 -294 L CA -0.565 54.363 54.840 0.146 0.000 0.810 -294 L CB 1.758 43.942 42.059 0.209 0.000 1.240 -294 L HN -0.070 nan 8.230 nan 0.000 0.427 -293 A N 2.332 125.209 122.820 0.095 0.000 2.340 -293 A HA 0.226 4.548 4.320 0.003 0.000 0.268 -293 A C -0.017 177.614 177.584 0.079 0.000 1.100 -293 A CA -0.345 51.737 52.037 0.075 0.000 0.803 -293 A CB 0.421 19.458 19.000 0.061 0.000 1.043 -293 A HN 0.773 nan 8.150 nan 0.000 0.488 -292 E N 1.291 121.529 120.200 0.064 0.000 2.344 -292 E HA 0.307 4.659 4.350 0.003 0.000 0.270 -292 E C -0.333 176.285 176.600 0.030 0.000 1.021 -292 E CA -0.210 56.221 56.400 0.052 0.000 0.887 -292 E CB 0.283 30.009 29.700 0.044 0.000 0.997 -292 E HN 0.563 nan 8.360 nan 0.000 0.429 -291 I N 1.588 122.158 120.570 -0.001 0.000 2.440 -291 I HA 0.397 4.569 4.170 0.003 0.000 0.294 -291 I C -0.322 175.759 176.117 -0.061 0.000 0.995 -291 I CA -0.531 60.744 61.300 -0.041 0.000 1.306 -291 I CB 1.791 39.669 38.000 -0.204 0.000 1.407 -291 I HN 0.310 nan 8.210 nan 0.000 0.501 -290 T N 3.272 117.807 114.554 -0.031 0.000 3.064 -290 T HA 0.552 4.904 4.350 0.003 0.000 0.367 -290 T C -2.474 172.208 174.700 -0.030 0.000 1.202 -290 T CA -1.403 60.669 62.100 -0.047 0.000 1.133 -290 T CB 0.670 69.524 68.868 -0.024 0.000 1.074 -290 T HN 0.562 nan 8.240 nan 0.000 0.519 -289 P HA 0.406 nan 4.420 nan 0.000 0.284 -289 P C -0.631 176.662 177.300 -0.011 0.000 1.258 -289 P CA -0.399 62.704 63.100 0.004 0.000 0.824 -289 P CB 1.089 32.863 31.700 0.124 0.000 1.038 -288 D N 0.920 121.352 120.400 0.053 0.000 2.411 -288 D HA 0.080 4.722 4.640 0.003 0.000 0.251 -288 D C 1.162 177.487 176.300 0.042 0.000 1.201 -288 D CA -0.444 53.578 54.000 0.035 0.000 0.996 -288 D CB 0.651 41.480 40.800 0.048 0.000 1.101 -288 D HN 0.007 nan 8.370 nan 0.000 0.504 -287 K N 0.371 120.775 120.400 0.007 0.000 2.009 -287 K HA -0.160 4.162 4.320 0.003 0.000 0.210 -287 K C 1.966 178.579 176.600 0.022 0.000 1.049 -287 K CA 1.735 58.013 56.287 -0.015 0.000 0.929 -287 K CB -1.094 31.395 32.500 -0.018 0.000 0.714 -287 K HN 0.597 nan 8.250 nan 0.000 0.440 -286 A N 0.307 123.160 122.820 0.054 0.000 1.892 -286 A HA -0.217 4.105 4.320 0.003 0.000 0.218 -286 A C 2.295 179.936 177.584 0.095 0.000 1.188 -286 A CA 1.831 53.906 52.037 0.064 0.000 0.631 -286 A CB -0.970 18.074 19.000 0.074 0.000 0.822 -286 A HN 0.413 nan 8.150 nan 0.000 0.447 -285 F N 0.467 120.440 119.950 0.038 0.000 2.134 -285 F HA -0.207 4.322 4.527 0.003 0.000 0.299 -285 F C 2.599 178.494 175.800 0.158 0.000 1.097 -285 F CA 2.213 60.273 58.000 0.101 0.000 1.264 -285 F CB -0.202 38.882 39.000 0.141 0.000 1.001 -285 F HN 0.322 nan 8.300 nan 0.000 0.479 -284 Q N -0.442 119.440 119.800 0.135 0.000 2.291 -284 Q HA -0.182 4.160 4.340 0.003 0.000 0.205 -284 Q C 1.348 177.401 176.000 0.088 0.000 0.970 -284 Q CA 1.276 57.104 55.803 0.041 0.000 0.876 -284 Q CB -0.182 28.324 28.738 -0.387 0.000 0.935 -284 Q HN 0.378 nan 8.270 nan 0.000 0.455 -283 D N 0.456 120.855 120.400 -0.003 0.000 2.348 -283 D HA -0.070 4.572 4.640 0.003 0.000 0.216 -283 D C 1.174 177.420 176.300 -0.089 0.000 0.970 -283 D CA 0.858 54.842 54.000 -0.026 0.000 0.889 -283 D CB 0.133 40.915 40.800 -0.031 0.000 0.912 -283 D HN 0.172 nan 8.370 nan 0.000 0.524 -282 K N -0.346 119.959 120.400 -0.159 0.000 2.365 -282 K HA 0.122 4.444 4.320 0.003 0.000 0.197 -282 K C 0.652 177.076 176.600 -0.294 0.000 1.042 -282 K CA 0.339 56.468 56.287 -0.263 0.000 0.987 -282 K CB 0.596 32.839 32.500 -0.430 0.000 0.779 -282 K HN 0.106 nan 8.250 nan 0.000 0.484 -281 L N 0.265 121.369 121.223 -0.198 0.000 2.322 -281 L HA 0.358 4.700 4.340 0.003 0.000 0.269 -281 L C -0.313 176.427 176.870 -0.217 0.000 1.012 -281 L CA -1.387 53.296 54.840 -0.263 0.000 0.815 -281 L CB 0.612 42.483 42.059 -0.314 0.000 1.295 -281 L HN -0.093 nan 8.230 nan 0.000 0.438 -280 Y N 0.892 121.084 120.300 -0.180 0.000 2.497 -280 Y HA 0.041 4.593 4.550 0.004 0.000 0.334 -280 Y C -1.382 174.459 175.900 -0.100 0.000 1.199 -280 Y CA -1.104 56.909 58.100 -0.145 0.000 1.425 -280 Y CB -0.106 38.189 38.460 -0.276 0.000 1.291 -280 Y HN 0.427 nan 8.280 nan 0.000 0.562 -279 P HA -0.267 nan 4.420 nan 0.000 0.216 -279 P C 1.418 178.826 177.300 0.179 0.000 1.157 -279 P CA 1.835 65.086 63.100 0.252 0.000 0.880 -279 P CB -0.181 31.658 31.700 0.232 0.000 0.791 -278 F N -0.418 119.618 119.950 0.144 0.000 2.546 -278 F HA -0.060 4.469 4.527 0.003 0.000 0.298 -278 F C 1.607 177.413 175.800 0.011 0.000 1.120 -278 F CA 1.408 59.447 58.000 0.065 0.000 1.456 -278 F CB -1.917 37.095 39.000 0.020 0.000 1.088 -278 F HN -0.084 nan 8.300 nan 0.000 0.572 -277 T N -4.244 109.886 114.554 -0.706 0.000 3.044 -277 T HA -0.044 4.308 4.350 0.003 0.000 0.255 -277 T C 1.477 175.941 174.700 -0.394 0.000 1.073 -277 T CA 0.475 62.185 62.100 -0.649 0.000 1.125 -277 T CB -0.938 67.466 68.868 -0.774 0.000 0.908 -277 T HN 0.522 nan 8.240 nan 0.000 0.480 -276 W N 2.310 123.520 121.300 -0.151 0.000 2.381 -276 W HA 0.069 4.731 4.660 0.003 0.000 0.301 -276 W C 2.050 178.539 176.519 -0.050 0.000 1.205 -276 W CA 0.403 57.699 57.345 -0.082 0.000 1.285 -276 W CB -0.226 29.206 29.460 -0.047 0.000 1.133 -276 W HN 0.167 nan 8.180 nan 0.000 0.521 -275 D N 0.306 120.814 120.400 0.181 0.000 2.149 -275 D HA -0.231 4.411 4.640 0.003 0.000 0.194 -275 D C 2.144 178.496 176.300 0.086 0.000 1.001 -275 D CA 2.047 56.134 54.000 0.144 0.000 0.849 -275 D CB -0.877 40.017 40.800 0.157 0.000 0.939 -275 D HN 0.174 nan 8.370 nan 0.000 0.449 -274 A N 0.452 123.250 122.820 -0.036 0.000 2.066 -274 A HA -0.047 4.275 4.320 0.003 0.000 0.218 -274 A C 2.052 179.604 177.584 -0.054 0.000 1.157 -274 A CA 1.130 53.054 52.037 -0.189 0.000 0.670 -274 A CB -0.179 18.425 19.000 -0.660 0.000 0.804 -274 A HN 0.241 nan 8.150 nan 0.000 0.453 -273 V N -2.852 117.053 119.914 -0.015 0.000 3.342 -273 V HA 0.363 4.485 4.120 0.003 0.000 0.322 -273 V C 0.458 176.633 176.094 0.135 0.000 1.370 -273 V CA -0.287 62.026 62.300 0.021 0.000 1.170 -273 V CB -0.964 30.811 31.823 -0.079 0.000 1.101 -273 V HN 0.398 nan 8.190 nan 0.000 0.442 -272 R N 0.631 121.233 120.500 0.170 0.000 2.346 -272 R HA 0.515 4.857 4.340 0.003 0.000 0.311 -272 R C -1.784 174.671 176.300 0.258 0.000 0.983 -272 R CA -0.764 55.448 56.100 0.186 0.000 0.880 -272 R CB 1.379 31.768 30.300 0.149 0.000 1.100 -272 R HN 0.457 nan 8.270 nan 0.000 0.453 -271 Y N 4.322 124.679 120.300 0.095 0.000 2.322 -271 Y HA 0.186 4.738 4.550 0.003 0.000 0.324 -271 Y C -0.746 175.196 175.900 0.071 0.000 1.027 -271 Y CA -0.802 57.353 58.100 0.091 0.000 1.179 -271 Y CB 1.010 39.532 38.460 0.104 0.000 1.136 -271 Y HN 0.975 nan 8.280 nan 0.000 0.449 -270 N N 3.853 122.303 118.700 -0.416 0.000 2.727 -270 N HA -0.223 4.519 4.740 0.003 0.000 0.249 -270 N C 0.845 176.310 175.510 -0.075 0.000 1.048 -270 N CA 1.008 53.909 53.050 -0.249 0.000 0.714 -270 N CB -0.896 37.438 38.487 -0.255 0.000 0.959 -270 N HN 1.248 nan 8.380 nan 0.000 0.544 -269 G N -0.907 107.878 108.800 -0.025 0.000 2.168 -269 G HA2 -0.383 3.579 3.960 0.003 0.000 0.257 -269 G HA3 -0.383 3.579 3.960 0.003 0.000 0.257 -269 G C -0.082 174.827 174.900 0.015 0.000 0.997 -269 G CA 0.908 46.010 45.100 0.004 0.000 0.708 -269 G HN 0.506 nan 8.290 nan 0.000 0.520 -268 K N -0.323 120.102 120.400 0.042 0.000 2.221 -268 K HA 0.593 4.915 4.320 0.003 0.000 0.258 -268 K C 0.417 177.068 176.600 0.084 0.000 0.944 -268 K CA -0.907 55.413 56.287 0.054 0.000 0.823 -268 K CB 1.636 34.180 32.500 0.074 0.000 1.113 -268 K HN 0.123 nan 8.250 nan 0.000 0.431 -267 L N 4.797 126.049 121.223 0.048 0.000 2.361 -267 L HA 0.141 4.483 4.340 0.003 0.000 0.278 -267 L C 0.769 177.680 176.870 0.068 0.000 1.113 -267 L CA -0.170 54.712 54.840 0.069 0.000 0.849 -267 L CB 0.112 42.176 42.059 0.009 0.000 1.155 -267 L HN 0.663 nan 8.230 nan 0.000 0.452 -266 I N 0.463 121.097 120.570 0.106 0.000 4.009 -266 I HA 0.675 4.847 4.170 0.003 0.000 0.331 -266 I C 0.317 176.499 176.117 0.109 0.000 1.462 -266 I CA -0.220 61.157 61.300 0.129 0.000 1.117 -266 I CB 0.363 38.487 38.000 0.207 0.000 1.091 -266 I HN 0.446 nan 8.210 nan 0.000 0.410 -265 A N -0.443 122.368 122.820 -0.015 0.000 2.544 -265 A HA 0.682 5.004 4.320 0.003 0.000 0.291 -265 A C -2.029 175.435 177.584 -0.200 0.000 1.055 -265 A CA -0.600 51.375 52.037 -0.103 0.000 0.651 -265 A CB 0.285 19.092 19.000 -0.322 0.000 1.296 -265 A HN 0.092 nan 8.150 nan 0.000 0.431 -264 Y N 0.550 120.794 120.300 -0.092 0.000 2.320 -264 Y HA 0.488 5.040 4.550 0.003 0.000 0.334 -264 Y C -2.197 173.540 175.900 -0.272 0.000 1.055 -264 Y CA -1.816 56.207 58.100 -0.128 0.000 1.143 -264 Y CB 1.291 39.731 38.460 -0.033 0.000 1.193 -264 Y HN 0.371 nan 8.280 nan 0.000 0.477 -263 P HA 0.103 nan 4.420 nan 0.000 0.276 -263 P C -0.050 177.167 177.300 -0.138 0.000 1.230 -263 P CA 0.124 63.038 63.100 -0.309 0.000 0.776 -263 P CB 1.067 32.428 31.700 -0.564 0.000 0.888 -262 I N 1.155 121.700 120.570 -0.042 0.000 3.443 -262 I HA 0.396 4.568 4.170 0.003 0.000 0.277 -262 I C 0.862 177.005 176.117 0.043 0.000 1.169 -262 I CA 0.358 61.690 61.300 0.053 0.000 1.419 -262 I CB -0.867 37.240 38.000 0.179 0.000 1.331 -262 I HN 0.298 nan 8.210 nan 0.000 0.458 -261 A N 0.441 123.281 122.820 0.033 0.000 2.605 -261 A HA 0.636 4.958 4.320 0.003 0.000 0.294 -261 A C -1.283 176.335 177.584 0.057 0.000 1.062 -261 A CA -0.377 51.690 52.037 0.050 0.000 0.682 -261 A CB 1.301 20.346 19.000 0.074 0.000 1.278 -261 A HN -0.173 nan 8.150 nan 0.000 0.410 -260 V N 1.952 121.913 119.914 0.079 0.000 2.481 -260 V HA 0.580 4.702 4.120 0.003 0.000 0.286 -260 V C -0.084 176.083 176.094 0.121 0.000 1.042 -260 V CA -0.153 62.223 62.300 0.125 0.000 0.928 -260 V CB 1.381 33.312 31.823 0.179 0.000 0.986 -260 V HN 0.943 nan 8.190 nan 0.000 0.462 -259 E N 3.849 124.145 120.200 0.160 0.000 2.263 -259 E HA 0.810 5.162 4.350 0.003 0.000 0.268 -259 E C -1.044 175.683 176.600 0.211 0.000 0.884 -259 E CA -0.873 55.633 56.400 0.177 0.000 0.766 -259 E CB 2.364 32.233 29.700 0.280 0.000 1.196 -259 E HN 0.684 nan 8.360 nan 0.000 0.416 -258 A N 3.969 126.870 122.820 0.136 0.000 2.475 -258 A HA 0.573 4.895 4.320 0.003 0.000 0.301 -258 A C -0.754 176.865 177.584 0.059 0.000 1.059 -258 A CA -0.901 51.215 52.037 0.133 0.000 0.710 -258 A CB 1.168 20.232 19.000 0.106 0.000 1.288 -258 A HN 0.651 nan 8.150 nan 0.000 0.408 -257 L N 1.337 122.581 121.223 0.035 0.000 2.417 -257 L HA 0.471 4.813 4.340 0.003 0.000 0.268 -257 L C 0.522 177.406 176.870 0.023 0.000 1.158 -257 L CA 0.074 54.914 54.840 -0.000 0.000 0.819 -257 L CB 1.290 43.329 42.059 -0.035 0.000 1.112 -257 L HN 0.714 nan 8.230 nan 0.000 0.458 -256 S N 1.652 117.375 115.700 0.039 0.000 2.632 -256 S HA 0.531 5.003 4.470 0.003 0.000 0.289 -256 S C -1.021 173.599 174.600 0.034 0.000 1.115 -256 S CA -0.634 57.600 58.200 0.057 0.000 0.889 -256 S CB 2.047 65.320 63.200 0.122 0.000 1.116 -256 S HN 0.380 nan 8.310 nan 0.000 0.486 -255 L N 2.573 123.803 121.223 0.011 0.000 2.315 -255 L HA 0.538 4.880 4.340 0.003 0.000 0.283 -255 L C -1.248 175.665 176.870 0.071 0.000 1.089 -255 L CA 0.319 55.149 54.840 -0.017 0.000 0.833 -255 L CB -0.389 41.613 42.059 -0.094 0.000 1.170 -255 L HN 0.513 nan 8.230 nan 0.000 0.442 -254 I N 6.807 127.388 120.570 0.018 0.000 2.377 -254 I HA 0.405 4.577 4.170 0.003 0.000 0.293 -254 I C -0.850 175.320 176.117 0.089 0.000 0.987 -254 I CA -0.637 60.662 61.300 -0.002 0.000 1.185 -254 I CB 1.133 38.990 38.000 -0.238 0.000 1.341 -254 I HN 0.661 nan 8.210 nan 0.000 0.455 -253 Y N 4.397 124.769 120.300 0.121 0.000 2.588 -253 Y HA 0.523 5.075 4.550 0.004 0.000 0.343 -253 Y C -1.108 175.033 175.900 0.402 0.000 1.065 -253 Y CA -1.551 56.721 58.100 0.288 0.000 1.038 -253 Y CB 1.028 39.554 38.460 0.110 0.000 1.297 -253 Y HN 0.449 nan 8.280 nan 0.000 0.467 -252 N N 2.508 121.366 118.700 0.264 0.000 2.439 -252 N HA 0.183 4.925 4.740 0.003 0.000 0.249 -252 N C -0.054 175.450 175.510 -0.011 0.000 1.003 -252 N CA -0.185 52.880 53.050 0.025 0.000 0.942 -252 N CB 1.216 39.627 38.487 -0.126 0.000 1.115 -252 N HN 0.898 nan 8.380 nan 0.000 0.505 -251 K N 1.586 121.912 120.400 -0.123 0.000 2.362 -251 K HA -0.040 4.282 4.320 0.003 0.000 0.200 -251 K C 0.217 176.821 176.600 0.006 0.000 1.046 -251 K CA 0.862 57.121 56.287 -0.046 0.000 0.952 -251 K CB 0.453 32.887 32.500 -0.111 0.000 0.753 -251 K HN 0.501 nan 8.250 nan 0.000 0.466 -250 D N 0.199 120.588 120.400 -0.018 0.000 2.271 -250 D HA -0.006 4.636 4.640 0.003 0.000 0.206 -250 D C 1.646 177.945 176.300 -0.002 0.000 0.967 -250 D CA 0.720 54.711 54.000 -0.015 0.000 0.867 -250 D CB 0.298 41.078 40.800 -0.034 0.000 0.960 -250 D HN 0.149 nan 8.370 nan 0.000 0.509 -249 L N -0.421 120.805 121.223 0.005 0.000 2.298 -249 L HA 0.180 4.522 4.340 0.003 0.000 0.209 -249 L C 0.786 177.684 176.870 0.046 0.000 1.084 -249 L CA 0.443 55.291 54.840 0.014 0.000 0.816 -249 L CB 0.677 42.736 42.059 -0.000 0.000 0.967 -249 L HN -0.120 nan 8.230 nan 0.000 0.460 -248 L N 0.365 121.644 121.223 0.093 0.000 2.492 -248 L HA 0.241 4.583 4.340 0.003 0.000 0.258 -248 L C -1.913 175.056 176.870 0.165 0.000 1.028 -248 L CA -1.189 53.723 54.840 0.120 0.000 0.900 -248 L CB 2.120 44.283 42.059 0.173 0.000 1.191 -248 L HN -0.185 nan 8.230 nan 0.000 0.459 -247 P HA -0.061 nan 4.420 nan 0.000 0.217 -247 P C -0.042 177.315 177.300 0.096 0.000 1.150 -247 P CA 1.169 64.329 63.100 0.099 0.000 0.832 -247 P CB 0.275 32.000 31.700 0.042 0.000 0.787 -246 N N 0.069 118.778 118.700 0.015 0.000 2.706 -246 N HA 0.207 4.949 4.740 0.003 0.000 0.240 -246 N C -2.557 172.853 175.510 -0.166 0.000 1.039 -246 N CA -1.422 51.584 53.050 -0.074 0.000 0.888 -246 N CB 0.736 39.188 38.487 -0.057 0.000 1.128 -246 N HN 0.130 nan 8.380 nan 0.000 0.512 -245 P HA 0.154 nan 4.420 nan 0.000 0.268 -245 P C -2.480 174.649 177.300 -0.286 0.000 1.208 -245 P CA -0.697 62.131 63.100 -0.453 0.000 0.777 -245 P CB 0.005 31.128 31.700 -0.962 0.000 0.875 -244 P HA 0.186 nan 4.420 nan 0.000 0.274 -244 P C 0.411 177.593 177.300 -0.197 0.000 1.237 -244 P CA -0.234 62.761 63.100 -0.175 0.000 0.793 -244 P CB 0.981 32.592 31.700 -0.149 0.000 0.977 -243 K N -0.356 119.957 120.400 -0.145 0.000 2.284 -243 K HA 0.098 4.420 4.320 0.003 0.000 0.198 -243 K C 1.051 177.580 176.600 -0.118 0.000 1.048 -243 K CA 0.963 57.173 56.287 -0.128 0.000 0.987 -243 K CB -0.311 32.135 32.500 -0.090 0.000 0.800 -243 K HN 0.696 nan 8.250 nan 0.000 0.486 -242 T N -3.989 110.503 114.554 -0.104 0.000 2.907 -242 T HA 0.289 4.641 4.350 0.003 0.000 0.292 -242 T C 0.590 175.260 174.700 -0.050 0.000 1.043 -242 T CA -0.845 61.227 62.100 -0.046 0.000 1.003 -242 T CB 1.075 69.945 68.868 0.003 0.000 1.084 -242 T HN 0.116 nan 8.240 nan 0.000 0.483 -241 W N 0.913 122.193 121.300 -0.034 0.000 2.358 -241 W HA 0.052 4.714 4.660 0.003 0.000 0.303 -241 W C 2.218 178.795 176.519 0.096 0.000 1.208 -241 W CA 1.201 58.531 57.345 -0.026 0.000 1.274 -241 W CB -0.230 29.087 29.460 -0.239 0.000 1.138 -241 W HN 0.835 nan 8.180 nan 0.000 0.515 -240 E N 0.088 120.442 120.200 0.257 0.000 2.160 -240 E HA -0.228 4.124 4.350 0.003 0.000 0.195 -240 E C 1.663 178.413 176.600 0.250 0.000 0.991 -240 E CA 1.532 58.125 56.400 0.321 0.000 0.810 -240 E CB -0.381 29.414 29.700 0.159 0.000 0.742 -240 E HN 0.363 nan 8.360 nan 0.000 0.466 -239 E N -0.147 120.134 120.200 0.136 0.000 2.268 -239 E HA -0.138 4.214 4.350 0.003 0.000 0.195 -239 E C 1.836 178.464 176.600 0.048 0.000 0.995 -239 E CA 0.411 56.847 56.400 0.060 0.000 0.836 -239 E CB -0.052 29.648 29.700 0.000 0.000 0.763 -239 E HN 0.304 nan 8.360 nan 0.000 0.491 -238 I N 0.883 121.512 120.570 0.098 0.000 2.179 -238 I HA -0.211 3.961 4.170 0.003 0.000 0.242 -238 I C -0.932 175.150 176.117 -0.058 0.000 1.088 -238 I CA 1.043 62.373 61.300 0.051 0.000 1.357 -238 I CB -0.893 37.185 38.000 0.129 0.000 1.051 -238 I HN 0.059 nan 8.210 nan 0.000 0.409 -237 P HA -0.239 nan 4.420 nan 0.000 0.215 -237 P C 1.406 178.526 177.300 -0.299 0.000 1.157 -237 P CA 2.100 64.931 63.100 -0.449 0.000 0.874 -237 P CB -0.064 31.523 31.700 -0.188 0.000 0.790 -236 A N -1.269 121.495 122.820 -0.092 0.000 2.014 -236 A HA -0.125 4.197 4.320 0.003 0.000 0.218 -236 A C 2.051 179.614 177.584 -0.035 0.000 1.163 -236 A CA 1.066 53.082 52.037 -0.036 0.000 0.652 -236 A CB -1.438 17.562 19.000 0.000 0.000 0.808 -236 A HN 0.135 nan 8.150 nan 0.000 0.449 -235 L N 0.037 121.232 121.223 -0.046 0.000 2.156 -235 L HA -0.043 4.299 4.340 0.003 0.000 0.208 -235 L C 1.719 178.579 176.870 -0.016 0.000 1.095 -235 L CA 2.441 57.267 54.840 -0.024 0.000 0.770 -235 L CB -0.639 41.405 42.059 -0.024 0.000 0.914 -235 L HN 0.440 nan 8.230 nan 0.000 0.439 -234 D N -0.758 119.614 120.400 -0.048 0.000 2.149 -234 D HA -0.194 4.448 4.640 0.003 0.000 0.201 -234 D C 2.183 178.517 176.300 0.056 0.000 0.972 -234 D CA 0.993 54.999 54.000 0.010 0.000 0.835 -234 D CB 0.025 40.823 40.800 -0.003 0.000 0.966 -234 D HN 0.173 nan 8.370 nan 0.000 0.476 -233 K N 0.177 120.602 120.400 0.042 0.000 2.103 -233 K HA -0.165 4.157 4.320 0.003 0.000 0.207 -233 K C 1.656 178.285 176.600 0.048 0.000 1.048 -233 K CA 1.477 57.811 56.287 0.080 0.000 0.930 -233 K CB -0.020 32.528 32.500 0.079 0.000 0.716 -233 K HN 0.443 nan 8.250 nan 0.000 0.444 -232 E N -0.271 119.946 120.200 0.029 0.000 2.442 -232 E HA -0.061 4.291 4.350 0.003 0.000 0.195 -232 E C 1.848 178.461 176.600 0.022 0.000 1.030 -232 E CA 0.225 56.639 56.400 0.022 0.000 0.869 -232 E CB 0.044 29.752 29.700 0.014 0.000 0.857 -232 E HN 0.241 nan 8.360 nan 0.000 0.505 -231 L N 0.581 121.820 121.223 0.027 0.000 2.354 -231 L HA 0.062 4.404 4.340 0.003 0.000 0.212 -231 L C 2.183 179.070 176.870 0.030 0.000 1.091 -231 L CA 0.203 55.058 54.840 0.026 0.000 0.828 -231 L CB 0.050 42.127 42.059 0.029 0.000 0.973 -231 L HN -0.061 nan 8.230 nan 0.000 0.461 -230 K N 0.707 121.133 120.400 0.042 0.000 2.152 -230 K HA -0.102 4.220 4.320 0.003 0.000 0.206 -230 K C 2.029 178.646 176.600 0.028 0.000 1.048 -230 K CA 1.393 57.705 56.287 0.041 0.000 0.933 -230 K CB -0.385 32.150 32.500 0.057 0.000 0.721 -230 K HN 0.257 nan 8.250 nan 0.000 0.447 -229 A N 1.325 124.160 122.820 0.026 0.000 2.121 -229 A HA -0.122 4.200 4.320 0.003 0.000 0.218 -229 A C 1.465 179.056 177.584 0.012 0.000 1.154 -229 A CA 1.203 53.251 52.037 0.018 0.000 0.679 -229 A CB -0.119 18.892 19.000 0.018 0.000 0.795 -229 A HN 0.264 nan 8.150 nan 0.000 0.458 -228 K N -1.360 119.048 120.400 0.012 0.000 2.414 -228 K HA 0.324 4.646 4.320 0.003 0.000 0.204 -228 K C 0.706 177.307 176.600 0.003 0.000 1.026 -228 K CA 0.315 56.605 56.287 0.006 0.000 1.108 -228 K CB 0.346 32.848 32.500 0.004 0.000 0.855 -228 K HN 0.511 nan 8.250 nan 0.000 0.517 -227 G N 2.186 110.990 108.800 0.007 0.000 2.176 -227 G HA2 -0.246 3.716 3.960 0.003 0.000 0.252 -227 G HA3 -0.246 3.716 3.960 0.003 0.000 0.252 -227 G C -0.162 174.740 174.900 0.003 0.000 1.024 -227 G CA 0.354 45.457 45.100 0.004 0.000 0.755 -227 G HN 0.154 nan 8.290 nan 0.000 0.507 -226 K N -1.002 119.404 120.400 0.010 0.000 2.283 -226 K HA 0.826 5.148 4.320 0.003 0.000 0.257 -226 K C -0.526 176.091 176.600 0.027 0.000 1.066 -226 K CA -0.200 56.093 56.287 0.009 0.000 0.891 -226 K CB 1.832 34.333 32.500 0.001 0.000 1.438 -226 K HN 0.510 nan 8.250 nan 0.000 0.464 -225 S N -1.060 114.661 115.700 0.036 0.000 2.546 -225 S HA 0.569 5.041 4.470 0.003 0.000 0.274 -225 S C 0.207 174.853 174.600 0.077 0.000 1.121 -225 S CA -0.002 58.234 58.200 0.061 0.000 0.887 -225 S CB 1.725 64.964 63.200 0.065 0.000 1.094 -225 S HN 0.618 nan 8.310 nan 0.000 0.474 -224 A N 2.491 125.364 122.820 0.089 0.000 1.854 -224 A HA 0.409 4.731 4.320 0.003 0.000 0.214 -224 A C 0.567 178.227 177.584 0.126 0.000 1.192 -224 A CA 1.174 53.263 52.037 0.086 0.000 0.611 -224 A CB -0.507 18.528 19.000 0.058 0.000 0.832 -224 A HN 1.231 nan 8.150 nan 0.000 0.442 -223 L N -1.157 120.162 121.223 0.161 0.000 2.505 -223 L HA 0.676 5.018 4.340 0.003 0.000 0.266 -223 L C -1.294 175.738 176.870 0.270 0.000 0.954 -223 L CA -0.167 54.807 54.840 0.224 0.000 0.852 -223 L CB 1.774 43.966 42.059 0.222 0.000 1.282 -223 L HN 0.312 nan 8.230 nan 0.000 0.403 -222 M N 6.146 125.920 119.600 0.290 0.000 2.263 -222 M HA 0.631 5.113 4.480 0.003 0.000 0.295 -222 M C -1.425 175.060 176.300 0.307 0.000 1.028 -222 M CA -0.458 54.968 55.300 0.210 0.000 0.921 -222 M CB 1.886 34.558 32.600 0.120 0.000 1.601 -222 M HN 0.626 nan 8.290 nan 0.000 0.440 -221 F N 0.077 120.047 119.950 0.035 0.000 2.745 -221 F HA 0.583 5.111 4.527 0.002 0.000 0.316 -221 F C -0.719 175.017 175.800 -0.107 0.000 1.155 -221 F CA -1.438 56.540 58.000 -0.036 0.000 0.937 -221 F CB 0.715 39.762 39.000 0.078 0.000 1.361 -221 F HN 0.419 nan 8.300 nan 0.000 0.472 -220 N N 1.457 119.996 118.700 -0.268 0.000 2.438 -220 N HA 0.163 4.905 4.740 0.003 0.000 0.267 -220 N C 0.111 175.477 175.510 -0.240 0.000 1.222 -220 N CA 0.124 52.950 53.050 -0.373 0.000 0.930 -220 N CB 0.519 38.597 38.487 -0.682 0.000 1.083 -220 N HN 0.807 nan 8.380 nan 0.000 0.476 -219 L N 2.170 123.254 121.223 -0.232 0.000 2.585 -219 L HA 0.105 4.447 4.340 0.003 0.000 0.226 -219 L C 1.267 178.137 176.870 0.001 0.000 1.113 -219 L CA 0.219 54.975 54.840 -0.139 0.000 0.876 -219 L CB 0.095 42.024 42.059 -0.217 0.000 1.072 -219 L HN 0.481 nan 8.230 nan 0.000 0.468 -218 Q N -0.209 119.594 119.800 0.005 0.000 2.360 -218 Q HA 0.171 4.513 4.340 0.003 0.000 0.202 -218 Q C -0.149 175.914 176.000 0.105 0.000 0.915 -218 Q CA 0.448 56.273 55.803 0.037 0.000 0.943 -218 Q CB 0.692 29.437 28.738 0.012 0.000 1.064 -218 Q HN 0.239 nan 8.270 nan 0.000 0.511 -217 E N 1.158 121.490 120.200 0.220 0.000 2.244 -217 E HA 0.200 4.552 4.350 0.003 0.000 0.260 -217 E C -1.938 174.928 176.600 0.444 0.000 0.884 -217 E CA -2.018 54.570 56.400 0.313 0.000 0.777 -217 E CB 2.203 32.150 29.700 0.412 0.000 1.197 -217 E HN -0.166 nan 8.360 nan 0.000 0.416 -216 P HA -0.198 nan 4.420 nan 0.000 0.219 -216 P C 1.375 179.052 177.300 0.629 0.000 1.146 -216 P CA 0.935 64.323 63.100 0.480 0.000 0.808 -216 P CB 0.154 32.167 31.700 0.521 0.000 0.779 -215 Y N 0.193 120.642 120.300 0.247 0.000 2.241 -215 Y HA -0.222 4.330 4.550 0.004 0.000 0.286 -215 Y C 1.982 178.012 175.900 0.218 0.000 1.166 -215 Y CA 1.651 59.825 58.100 0.123 0.000 1.203 -215 Y CB -1.044 37.240 38.460 -0.294 0.000 0.977 -215 Y HN -0.186 nan 8.280 nan 0.000 0.529 -214 F N -1.147 119.074 119.950 0.451 0.000 2.416 -214 F HA -0.065 4.463 4.527 0.003 0.000 0.296 -214 F C 2.309 178.337 175.800 0.380 0.000 1.099 -214 F CA 1.347 59.590 58.000 0.405 0.000 1.427 -214 F CB -0.465 38.878 39.000 0.571 0.000 1.079 -214 F HN 0.023 nan 8.300 nan 0.000 0.536 -213 T N -3.499 111.411 114.554 0.594 0.000 3.060 -213 T HA -0.107 4.245 4.350 0.003 0.000 0.249 -213 T C 1.713 176.584 174.700 0.285 0.000 1.079 -213 T CA -0.165 62.196 62.100 0.435 0.000 1.013 -213 T CB -0.483 68.614 68.868 0.381 0.000 0.975 -213 T HN 0.499 nan 8.240 nan 0.000 0.518 -212 W N 2.809 124.209 121.300 0.168 0.000 2.409 -212 W HA 0.018 4.680 4.660 0.004 0.000 0.299 -212 W C -1.791 174.722 176.519 -0.010 0.000 1.203 -212 W CA 0.434 57.848 57.345 0.114 0.000 1.298 -212 W CB -0.810 28.809 29.460 0.265 0.000 1.127 -212 W HN 0.241 nan 8.180 nan 0.000 0.528 -211 P HA -0.213 nan 4.420 nan 0.000 0.218 -211 P C 1.689 178.854 177.300 -0.225 0.000 1.146 -211 P CA 1.588 64.628 63.100 -0.101 0.000 0.813 -211 P CB -0.422 31.293 31.700 0.024 0.000 0.778 -210 L N -1.492 119.560 121.223 -0.285 0.000 2.168 -210 L HA 0.103 4.445 4.340 0.003 0.000 0.203 -210 L C 2.108 178.643 176.870 -0.558 0.000 1.078 -210 L CA 1.401 55.922 54.840 -0.532 0.000 0.780 -210 L CB -1.106 40.425 42.059 -0.881 0.000 0.939 -210 L HN -0.207 nan 8.230 nan 0.000 0.451 -209 I N 0.421 120.699 120.570 -0.486 0.000 2.454 -209 I HA -0.220 3.952 4.170 0.003 0.000 0.254 -209 I C 2.347 178.088 176.117 -0.627 0.000 1.156 -209 I CA 1.163 62.171 61.300 -0.488 0.000 1.433 -209 I CB -0.426 37.323 38.000 -0.419 0.000 1.082 -209 I HN 0.416 nan 8.210 nan 0.000 0.432 -208 A N 0.153 122.476 122.820 -0.828 0.000 2.147 -208 A HA 0.249 4.571 4.320 0.003 0.000 0.211 -208 A C 2.480 179.859 177.584 -0.341 0.000 1.160 -208 A CA 0.826 52.426 52.037 -0.728 0.000 0.781 -208 A CB -0.384 18.040 19.000 -0.960 0.000 0.842 -208 A HN 0.337 nan 8.150 nan 0.000 0.475 -207 A N 0.394 123.061 122.820 -0.256 0.000 1.903 -207 A HA -0.252 4.070 4.320 0.003 0.000 0.219 -207 A C 1.656 179.224 177.584 -0.026 0.000 1.191 -207 A CA 2.236 54.224 52.037 -0.081 0.000 0.638 -207 A CB -0.421 18.597 19.000 0.030 0.000 0.823 -207 A HN 0.438 nan 8.150 nan 0.000 0.451 -206 D N -3.022 117.384 120.400 0.009 0.000 2.463 -206 D HA 0.379 5.021 4.640 0.003 0.000 0.224 -206 D C 0.725 177.016 176.300 -0.015 0.000 1.174 -206 D CA 0.881 54.886 54.000 0.010 0.000 0.829 -206 D CB -0.027 40.819 40.800 0.076 0.000 0.993 -206 D HN 0.556 nan 8.370 nan 0.000 0.497 -205 G N -0.995 107.785 108.800 -0.033 0.000 2.273 -205 G HA2 -0.041 3.921 3.960 0.003 0.000 0.162 -205 G HA3 -0.041 3.921 3.960 0.003 0.000 0.162 -205 G C 0.620 175.534 174.900 0.023 0.000 1.006 -205 G CA -0.301 44.808 45.100 0.016 0.000 0.704 -205 G HN 0.527 nan 8.290 nan 0.000 0.487 -204 G N 0.310 109.034 108.800 -0.128 0.000 2.390 -204 G HA2 0.726 4.688 3.960 0.003 0.000 0.270 -204 G HA3 0.726 4.688 3.960 0.003 0.000 0.270 -204 G C -0.388 174.438 174.900 -0.124 0.000 1.211 -204 G CA 0.004 44.972 45.100 -0.220 0.000 0.842 -204 G HN 1.317 nan 8.290 nan 0.000 0.519 -203 Y N -0.616 119.695 120.300 0.018 0.000 2.562 -203 Y HA 0.758 5.310 4.550 0.004 0.000 0.345 -203 Y C 0.672 176.741 175.900 0.282 0.000 1.045 -203 Y CA -0.942 57.261 58.100 0.173 0.000 1.028 -203 Y CB 0.899 39.420 38.460 0.102 0.000 1.297 -203 Y HN 0.684 nan 8.280 nan 0.000 0.463 -202 A N 1.871 124.887 122.820 0.328 0.000 1.889 -202 A HA 0.211 4.533 4.320 0.003 0.000 0.209 -202 A C -0.337 177.021 177.584 -0.377 0.000 1.315 -202 A CA 1.027 52.766 52.037 -0.496 0.000 0.611 -202 A CB -0.707 17.627 19.000 -1.110 0.000 0.950 -202 A HN 0.585 nan 8.150 nan 0.000 0.477 -201 F N -0.599 119.501 119.950 0.251 0.000 2.458 -201 F HA 0.540 5.069 4.527 0.004 0.000 0.336 -201 F C 0.180 176.240 175.800 0.434 0.000 1.114 -201 F CA -1.025 57.188 58.000 0.354 0.000 0.987 -201 F CB 1.432 40.568 39.000 0.226 0.000 1.130 -201 F HN 0.151 nan 8.300 nan 0.000 0.458 -200 K N 2.335 123.021 120.400 0.477 0.000 2.451 -200 K HA 0.029 4.351 4.320 0.003 0.000 0.280 -200 K C -1.385 175.308 176.600 0.155 0.000 1.020 -200 K CA 0.158 56.500 56.287 0.091 0.000 1.008 -200 K CB 0.100 32.580 32.500 -0.033 0.000 0.917 -200 K HN 0.593 nan 8.250 nan 0.000 0.478 -199 Y N 3.305 123.552 120.300 -0.089 0.000 2.341 -199 Y HA 0.257 4.809 4.550 0.003 0.000 0.340 -199 Y C -0.749 175.047 175.900 -0.174 0.000 0.997 -199 Y CA -0.090 57.858 58.100 -0.252 0.000 1.149 -199 Y CB 0.923 39.190 38.460 -0.321 0.000 1.171 -199 Y HN 0.641 nan 8.280 nan 0.000 0.494 -198 E N 6.378 126.251 120.200 -0.545 0.000 2.343 -198 E HA 0.144 4.496 4.350 0.003 0.000 0.260 -198 E C -1.082 175.247 176.600 -0.452 0.000 0.908 -198 E CA -0.682 55.511 56.400 -0.345 0.000 0.814 -198 E CB 0.710 30.305 29.700 -0.176 0.000 1.302 -198 E HN 0.859 nan 8.360 nan 0.000 0.408 -197 N N 2.299 120.789 118.700 -0.352 0.000 2.688 -197 N HA -0.308 4.434 4.740 0.003 0.000 0.258 -197 N C 0.610 175.913 175.510 -0.344 0.000 1.016 -197 N CA 0.885 53.787 53.050 -0.247 0.000 0.747 -197 N CB -1.517 36.887 38.487 -0.139 0.000 0.895 -197 N HN 0.933 nan 8.380 nan 0.000 0.543 -196 G N -1.250 107.193 108.800 -0.596 0.000 2.299 -196 G HA2 -0.319 3.643 3.960 0.003 0.000 0.237 -196 G HA3 -0.319 3.643 3.960 0.003 0.000 0.237 -196 G C -0.050 174.546 174.900 -0.507 0.000 1.027 -196 G CA 0.753 45.637 45.100 -0.360 0.000 0.619 -196 G HN 0.561 nan 8.290 nan 0.000 0.513 -195 K N 0.314 120.321 120.400 -0.655 0.000 2.164 -195 K HA 0.628 4.950 4.320 0.003 0.000 0.258 -195 K C -0.592 175.710 176.600 -0.496 0.000 0.951 -195 K CA -0.868 55.186 56.287 -0.389 0.000 0.844 -195 K CB 1.067 33.451 32.500 -0.193 0.000 1.099 -195 K HN 0.217 nan 8.250 nan 0.000 0.435 -194 Y N 0.511 120.774 120.300 -0.062 0.000 2.346 -194 Y HA 0.046 4.597 4.550 0.003 0.000 0.330 -194 Y C 0.793 176.683 175.900 -0.017 0.000 1.178 -194 Y CA -0.038 58.082 58.100 0.034 0.000 1.331 -194 Y CB 0.713 39.221 38.460 0.081 0.000 1.253 -194 Y HN 0.410 nan 8.280 nan 0.000 0.529 -193 D N 3.724 124.235 120.400 0.186 0.000 2.467 -193 D HA 0.136 4.778 4.640 0.003 0.000 0.220 -193 D C 0.867 177.276 176.300 0.181 0.000 1.103 -193 D CA -0.316 53.763 54.000 0.131 0.000 0.886 -193 D CB 0.238 41.105 40.800 0.111 0.000 1.025 -193 D HN 0.579 nan 8.370 nan 0.000 0.514 -192 I N 0.260 120.850 120.570 0.034 0.000 2.850 -192 I HA -0.110 4.062 4.170 0.003 0.000 0.266 -192 I C 1.022 177.232 176.117 0.154 0.000 1.257 -192 I CA 0.767 62.047 61.300 -0.033 0.000 1.465 -192 I CB -0.095 37.785 38.000 -0.200 0.000 1.091 -192 I HN 0.037 nan 8.210 nan 0.000 0.467 -191 K N 0.771 121.256 120.400 0.142 0.000 2.417 -191 K HA 0.116 4.438 4.320 0.003 0.000 0.196 -191 K C -0.214 176.497 176.600 0.185 0.000 1.023 -191 K CA 0.090 56.464 56.287 0.145 0.000 1.122 -191 K CB 0.029 32.585 32.500 0.094 0.000 0.850 -191 K HN 0.243 nan 8.250 nan 0.000 0.521 -190 D N 1.050 121.610 120.400 0.267 0.000 2.358 -190 D HA 0.156 4.798 4.640 0.003 0.000 0.253 -190 D C -1.549 175.008 176.300 0.427 0.000 1.288 -190 D CA -0.401 53.780 54.000 0.302 0.000 0.950 -190 D CB 1.232 42.193 40.800 0.268 0.000 1.197 -190 D HN -0.276 nan 8.370 nan 0.000 0.550 -189 V N 2.312 122.392 119.914 0.277 0.000 2.540 -189 V HA 0.731 4.853 4.120 0.003 0.000 0.302 -189 V C 0.958 176.940 176.094 -0.186 0.000 1.035 -189 V CA -0.702 61.666 62.300 0.113 0.000 0.873 -189 V CB 2.100 33.991 31.823 0.113 0.000 0.992 -189 V HN 0.621 nan 8.190 nan 0.000 0.428 -188 G N 2.878 111.263 108.800 -0.692 0.000 4.804 -188 G HA2 0.374 4.336 3.960 0.003 0.000 0.310 -188 G HA3 0.374 4.336 3.960 0.003 0.000 0.310 -188 G C 0.336 174.941 174.900 -0.492 0.000 1.389 -188 G CA 0.038 44.409 45.100 -1.214 0.000 1.106 -188 G HN 0.525 nan 8.290 nan 0.000 0.595 -187 V N -0.424 119.379 119.914 -0.185 0.000 3.431 -187 V HA 0.078 4.200 4.120 0.003 0.000 0.253 -187 V C 1.450 177.520 176.094 -0.040 0.000 1.184 -187 V CA 1.270 63.561 62.300 -0.014 0.000 1.104 -187 V CB 0.958 32.818 31.823 0.062 0.000 0.799 -187 V HN 0.439 nan 8.190 nan 0.000 0.462 -186 D N -0.001 120.363 120.400 -0.061 0.000 2.501 -186 D HA 0.087 4.729 4.640 0.003 0.000 0.224 -186 D C 0.650 176.926 176.300 -0.040 0.000 1.202 -186 D CA -0.147 53.833 54.000 -0.034 0.000 0.829 -186 D CB -0.043 40.750 40.800 -0.012 0.000 1.023 -186 D HN 0.601 nan 8.370 nan 0.000 0.499 -185 N N -0.384 118.272 118.700 -0.073 0.000 2.322 -185 N HA 0.187 4.929 4.740 0.003 0.000 0.270 -185 N C 1.279 176.775 175.510 -0.023 0.000 1.286 -185 N CA 0.244 53.269 53.050 -0.042 0.000 0.948 -185 N CB 0.255 38.715 38.487 -0.044 0.000 1.164 -185 N HN -0.140 nan 8.380 nan 0.000 0.551 -184 A N -0.850 121.968 122.820 -0.003 0.000 1.930 -184 A HA 0.071 4.393 4.320 0.003 0.000 0.217 -184 A C 2.039 179.626 177.584 0.004 0.000 1.175 -184 A CA 1.661 53.700 52.037 0.004 0.000 0.627 -184 A CB -1.623 17.382 19.000 0.009 0.000 0.815 -184 A HN 0.799 nan 8.150 nan 0.000 0.443 -183 G N -0.308 108.490 108.800 -0.004 0.000 2.433 -183 G HA2 -0.004 3.958 3.960 0.003 0.000 0.216 -183 G HA3 -0.004 3.958 3.960 0.003 0.000 0.216 -183 G C 1.795 176.675 174.900 -0.033 0.000 1.186 -183 G CA 1.521 46.618 45.100 -0.006 0.000 0.779 -183 G HN 0.773 nan 8.290 nan 0.000 0.543 -182 A N 0.973 123.744 122.820 -0.082 0.000 1.873 -182 A HA -0.103 4.219 4.320 0.003 0.000 0.218 -182 A C 2.296 179.841 177.584 -0.064 0.000 1.193 -182 A CA 2.188 54.155 52.037 -0.116 0.000 0.629 -182 A CB -0.506 18.429 19.000 -0.108 0.000 0.826 -182 A HN 0.378 nan 8.150 nan 0.000 0.447 -181 K N -0.565 119.819 120.400 -0.027 0.000 2.044 -181 K HA -0.188 4.134 4.320 0.003 0.000 0.210 -181 K C 2.320 178.937 176.600 0.028 0.000 1.049 -181 K CA 1.381 57.668 56.287 -0.001 0.000 0.927 -181 K CB -0.378 32.128 32.500 0.009 0.000 0.713 -181 K HN 0.488 nan 8.250 nan 0.000 0.443 -180 A N 0.957 123.818 122.820 0.070 0.000 1.898 -180 A HA -0.073 4.249 4.320 0.003 0.000 0.216 -180 A C 2.431 180.123 177.584 0.179 0.000 1.181 -180 A CA 1.884 54.030 52.037 0.182 0.000 0.620 -180 A CB -1.074 18.069 19.000 0.239 0.000 0.819 -180 A HN 0.442 nan 8.150 nan 0.000 0.442 -179 G N -0.463 108.339 108.800 0.003 0.000 2.402 -179 G HA2 -0.095 3.867 3.960 0.003 0.000 0.216 -179 G HA3 -0.095 3.867 3.960 0.003 0.000 0.216 -179 G C 1.461 176.182 174.900 -0.297 0.000 1.162 -179 G CA 1.163 46.004 45.100 -0.431 0.000 0.777 -179 G HN 0.436 nan 8.290 nan 0.000 0.539 -178 L N 0.689 121.830 121.223 -0.137 0.000 2.109 -178 L HA 0.109 4.451 4.340 0.003 0.000 0.207 -178 L C 2.835 179.680 176.870 -0.043 0.000 1.086 -178 L CA 2.072 56.861 54.840 -0.083 0.000 0.760 -178 L CB -0.782 41.253 42.059 -0.041 0.000 0.910 -178 L HN 0.137 nan 8.230 nan 0.000 0.437 -177 T N -0.952 113.602 114.554 0.000 0.000 2.777 -177 T HA -0.186 4.166 4.350 0.003 0.000 0.266 -177 T C 1.611 176.337 174.700 0.044 0.000 1.040 -177 T CA 1.675 63.794 62.100 0.032 0.000 1.141 -177 T CB -0.399 68.513 68.868 0.073 0.000 0.868 -177 T HN 0.367 nan 8.240 nan 0.000 0.444 -176 F N 1.708 121.611 119.950 -0.077 0.000 2.102 -176 F HA -0.059 4.470 4.527 0.003 0.000 0.298 -176 F C 1.976 177.717 175.800 -0.099 0.000 1.105 -176 F CA 0.940 58.895 58.000 -0.075 0.000 1.239 -176 F CB -0.479 38.394 39.000 -0.212 0.000 0.991 -176 F HN 0.074 nan 8.300 nan 0.000 0.474 -175 L N -0.194 121.007 121.223 -0.037 0.000 2.079 -175 L HA -0.155 4.187 4.340 0.003 0.000 0.210 -175 L C 2.019 178.849 176.870 -0.068 0.000 1.081 -175 L CA 1.640 56.447 54.840 -0.056 0.000 0.752 -175 L CB -0.879 41.152 42.059 -0.046 0.000 0.896 -175 L HN 0.064 nan 8.230 nan 0.000 0.433 -174 V N -0.283 119.591 119.914 -0.066 0.000 2.453 -174 V HA -0.194 3.928 4.120 0.003 0.000 0.247 -174 V C 2.132 178.180 176.094 -0.078 0.000 1.048 -174 V CA 1.694 63.960 62.300 -0.056 0.000 1.049 -174 V CB -0.679 31.123 31.823 -0.036 0.000 0.672 -174 V HN 0.445 nan 8.190 nan 0.000 0.457 -173 D N 0.172 120.502 120.400 -0.117 0.000 2.178 -173 D HA -0.102 4.540 4.640 0.003 0.000 0.202 -173 D C 2.099 178.319 176.300 -0.134 0.000 0.974 -173 D CA 1.041 54.963 54.000 -0.131 0.000 0.841 -173 D CB -0.188 40.516 40.800 -0.160 0.000 0.953 -173 D HN 0.336 nan 8.370 nan 0.000 0.478 -172 L N 0.304 121.422 121.223 -0.175 0.000 2.083 -172 L HA -0.136 4.206 4.340 0.003 0.000 0.209 -172 L C 2.402 179.265 176.870 -0.011 0.000 1.083 -172 L CA 0.767 55.594 54.840 -0.023 0.000 0.752 -172 L CB -0.303 41.767 42.059 0.017 0.000 0.899 -172 L HN 0.054 nan 8.230 nan 0.000 0.433 -171 I N -0.414 120.130 120.570 -0.043 0.000 2.193 -171 I HA -0.251 3.921 4.170 0.003 0.000 0.240 -171 I C 2.473 178.544 176.117 -0.077 0.000 1.084 -171 I CA 1.236 62.505 61.300 -0.052 0.000 1.365 -171 I CB -0.414 37.557 38.000 -0.048 0.000 1.064 -171 I HN 0.158 nan 8.210 nan 0.000 0.410 -170 K N 1.033 121.388 120.400 -0.075 0.000 2.173 -170 K HA -0.197 4.125 4.320 0.003 0.000 0.207 -170 K C 1.169 177.705 176.600 -0.108 0.000 1.046 -170 K CA 1.758 58.000 56.287 -0.076 0.000 0.929 -170 K CB -0.399 32.065 32.500 -0.060 0.000 0.720 -170 K HN 0.472 nan 8.250 nan 0.000 0.453 -169 N N 0.258 118.866 118.700 -0.153 0.000 2.268 -169 N HA 0.052 4.794 4.740 0.003 0.000 0.204 -169 N C -0.688 174.538 175.510 -0.473 0.000 1.124 -169 N CA -0.087 52.798 53.050 -0.275 0.000 0.838 -169 N CB 0.419 38.766 38.487 -0.233 0.000 0.994 -169 N HN 0.019 nan 8.380 nan 0.000 0.489 -168 K N -0.157 120.080 120.400 -0.273 0.000 3.160 -168 K HA -0.231 4.091 4.320 0.003 0.000 0.280 -168 K C -0.174 176.295 176.600 -0.219 0.000 1.154 -168 K CA 0.461 56.626 56.287 -0.204 0.000 0.822 -168 K CB -1.346 31.056 32.500 -0.164 0.000 1.239 -168 K HN 0.513 nan 8.250 nan 0.000 0.489 -167 H N -0.778 118.289 119.070 -0.004 0.000 2.512 -167 H HA 0.157 4.715 4.556 0.003 0.000 0.279 -167 H C 0.983 176.330 175.328 0.031 0.000 0.999 -167 H CA 0.844 56.904 56.048 0.019 0.000 1.283 -167 H CB 0.237 30.017 29.762 0.030 0.000 1.421 -167 H HN 0.258 nan 8.280 nan 0.000 0.554 -166 M N 0.271 119.927 119.600 0.092 0.000 2.550 -166 M HA 0.228 4.710 4.480 0.003 0.000 0.292 -166 M C -0.325 175.965 176.300 -0.016 0.000 1.221 -166 M CA -0.722 54.602 55.300 0.041 0.000 0.873 -166 M CB 2.906 35.529 32.600 0.038 0.000 1.727 -166 M HN -0.109 nan 8.290 nan 0.000 0.459 -165 N N 0.663 119.341 118.700 -0.037 0.000 2.438 -165 N HA 0.389 5.131 4.740 0.003 0.000 0.282 -165 N C 0.416 175.882 175.510 -0.073 0.000 1.037 -165 N CA 0.168 53.187 53.050 -0.051 0.000 0.942 -165 N CB 2.009 40.470 38.487 -0.043 0.000 1.136 -165 N HN 0.840 nan 8.380 nan 0.000 0.481 -164 A N 3.577 126.359 122.820 -0.064 0.000 1.948 -164 A HA -0.193 4.129 4.320 0.003 0.000 0.220 -164 A C 1.478 179.020 177.584 -0.069 0.000 1.177 -164 A CA 1.686 53.683 52.037 -0.067 0.000 0.636 -164 A CB -0.298 18.671 19.000 -0.052 0.000 0.815 -164 A HN 0.759 nan 8.150 nan 0.000 0.449 -163 D N -0.371 119.993 120.400 -0.059 0.000 2.218 -163 D HA -0.013 4.628 4.640 0.003 0.000 0.204 -163 D C 0.567 176.831 176.300 -0.061 0.000 0.976 -163 D CA 0.994 54.963 54.000 -0.051 0.000 0.853 -163 D CB -0.443 40.334 40.800 -0.038 0.000 0.939 -163 D HN 0.351 nan 8.370 nan 0.000 0.481 -162 T N 1.749 116.252 114.554 -0.085 0.000 2.905 -162 T HA 0.190 4.542 4.350 0.003 0.000 0.299 -162 T C 0.060 174.691 174.700 -0.115 0.000 1.024 -162 T CA 0.099 62.138 62.100 -0.103 0.000 1.151 -162 T CB 0.550 69.333 68.868 -0.141 0.000 0.987 -162 T HN 0.232 nan 8.240 nan 0.000 0.535 -161 D N 0.947 121.296 120.400 -0.084 0.000 2.744 -161 D HA 0.118 4.760 4.640 0.003 0.000 0.304 -161 D C 0.774 177.048 176.300 -0.043 0.000 1.179 -161 D CA -1.014 52.953 54.000 -0.056 0.000 1.024 -161 D CB 0.161 40.958 40.800 -0.006 0.000 1.453 -161 D HN 0.343 nan 8.370 nan 0.000 0.529 -160 Y N 0.494 120.728 120.300 -0.111 0.000 2.139 -160 Y HA -0.275 4.277 4.550 0.003 0.000 0.282 -160 Y C 2.409 178.301 175.900 -0.014 0.000 1.179 -160 Y CA 3.472 61.519 58.100 -0.088 0.000 1.161 -160 Y CB 0.068 38.510 38.460 -0.030 0.000 0.970 -160 Y HN 0.471 nan 8.280 nan 0.000 0.511 -159 S N -1.248 114.487 115.700 0.058 0.000 2.470 -159 S HA -0.022 4.450 4.470 0.003 0.000 0.222 -159 S C 1.777 176.363 174.600 -0.023 0.000 1.024 -159 S CA 0.751 58.970 58.200 0.032 0.000 0.931 -159 S CB -0.629 62.639 63.200 0.113 0.000 0.791 -159 S HN 0.476 nan 8.310 nan 0.000 0.513 -158 I N 2.309 122.864 120.570 -0.027 0.000 2.286 -158 I HA -0.006 4.166 4.170 0.003 0.000 0.245 -158 I C 3.054 179.150 176.117 -0.036 0.000 1.104 -158 I CA 1.018 62.304 61.300 -0.023 0.000 1.397 -158 I CB -0.585 37.403 38.000 -0.021 0.000 1.072 -158 I HN 0.402 nan 8.210 nan 0.000 0.417 -157 A N 0.343 123.117 122.820 -0.076 0.000 1.865 -157 A HA -0.281 4.041 4.320 0.003 0.000 0.217 -157 A C 2.324 179.882 177.584 -0.042 0.000 1.191 -157 A CA 2.023 54.024 52.037 -0.059 0.000 0.623 -157 A CB -0.743 18.195 19.000 -0.104 0.000 0.826 -157 A HN 0.456 nan 8.150 nan 0.000 0.444 -156 E N -0.367 119.734 120.200 -0.164 0.000 2.038 -156 E HA -0.192 4.160 4.350 0.003 0.000 0.195 -156 E C 2.294 178.903 176.600 0.015 0.000 1.000 -156 E CA 1.188 57.517 56.400 -0.118 0.000 0.803 -156 E CB -0.284 29.282 29.700 -0.224 0.000 0.750 -156 E HN 0.536 nan 8.360 nan 0.000 0.448 -155 A N 1.274 124.094 122.820 0.000 0.000 1.873 -155 A HA -0.226 4.096 4.320 0.003 0.000 0.218 -155 A C 2.412 180.013 177.584 0.029 0.000 1.193 -155 A CA 2.423 54.472 52.037 0.020 0.000 0.629 -155 A CB -0.995 18.013 19.000 0.013 0.000 0.826 -155 A HN 0.432 nan 8.150 nan 0.000 0.447 -154 A N -1.542 121.297 122.820 0.033 0.000 1.883 -154 A HA -0.079 4.243 4.320 0.003 0.000 0.217 -154 A C 2.110 179.724 177.584 0.050 0.000 1.186 -154 A CA 1.712 53.770 52.037 0.034 0.000 0.624 -154 A CB -0.756 18.269 19.000 0.041 0.000 0.822 -154 A HN 0.684 nan 8.150 nan 0.000 0.444 -153 F N 1.220 121.154 119.950 -0.027 0.000 2.134 -153 F HA -0.159 4.369 4.527 0.003 0.000 0.299 -153 F C 1.975 177.757 175.800 -0.031 0.000 1.097 -153 F CA 2.076 60.063 58.000 -0.022 0.000 1.264 -153 F CB -0.328 38.657 39.000 -0.025 0.000 1.001 -153 F HN 0.319 nan 8.300 nan 0.000 0.479 -152 N N -0.336 118.431 118.700 0.113 0.000 2.457 -152 N HA -0.090 4.652 4.740 0.003 0.000 0.180 -152 N C 1.046 176.523 175.510 -0.056 0.000 1.050 -152 N CA 0.400 53.478 53.050 0.047 0.000 0.906 -152 N CB -0.043 38.487 38.487 0.073 0.000 0.968 -152 N HN 0.313 nan 8.380 nan 0.000 0.445 -151 K N 0.300 120.658 120.400 -0.070 0.000 2.374 -151 K HA 0.106 4.428 4.320 0.003 0.000 0.196 -151 K C 0.639 177.169 176.600 -0.116 0.000 1.023 -151 K CA 0.003 56.249 56.287 -0.070 0.000 1.103 -151 K CB 0.723 33.201 32.500 -0.037 0.000 0.848 -151 K HN 0.136 nan 8.250 nan 0.000 0.528 -150 G N 2.394 111.065 108.800 -0.215 0.000 2.221 -150 G HA2 -0.283 3.679 3.960 0.003 0.000 0.265 -150 G HA3 -0.283 3.679 3.960 0.003 0.000 0.265 -150 G C 0.319 175.117 174.900 -0.171 0.000 1.041 -150 G CA 0.449 45.398 45.100 -0.253 0.000 0.807 -150 G HN 0.479 nan 8.290 nan 0.000 0.502 -149 E N -1.252 118.866 120.200 -0.138 0.000 2.364 -149 E HA 0.132 4.484 4.350 0.003 0.000 0.196 -149 E C 1.013 177.590 176.600 -0.039 0.000 0.990 -149 E CA 0.843 57.204 56.400 -0.065 0.000 0.886 -149 E CB 0.654 30.334 29.700 -0.033 0.000 0.866 -149 E HN 0.336 nan 8.360 nan 0.000 0.493 -148 T N -1.170 113.352 114.554 -0.054 0.000 2.893 -148 T HA 0.473 4.825 4.350 0.003 0.000 0.293 -148 T C 0.186 174.892 174.700 0.011 0.000 1.027 -148 T CA -0.231 61.889 62.100 0.032 0.000 0.988 -148 T CB 1.722 70.665 68.868 0.125 0.000 1.043 -148 T HN -0.019 nan 8.240 nan 0.000 0.461 -147 A N 4.360 127.235 122.820 0.091 0.000 2.067 -147 A HA 0.443 4.765 4.320 0.003 0.000 0.217 -147 A C 0.785 178.602 177.584 0.388 0.000 1.156 -147 A CA 0.702 52.822 52.037 0.138 0.000 0.683 -147 A CB -0.156 18.912 19.000 0.113 0.000 0.808 -147 A HN 0.731 nan 8.150 nan 0.000 0.455 -146 M N -1.566 118.288 119.600 0.424 0.000 2.421 -146 M HA 0.403 4.885 4.480 0.003 0.000 0.287 -146 M C -0.738 175.721 176.300 0.264 0.000 1.183 -146 M CA -0.169 55.350 55.300 0.364 0.000 0.916 -146 M CB 2.580 35.277 32.600 0.163 0.000 1.701 -146 M HN 0.106 nan 8.290 nan 0.000 0.470 -145 T N 1.761 116.318 114.554 0.005 0.000 2.838 -145 T HA 0.817 5.169 4.350 0.003 0.000 0.292 -145 T C -1.823 172.848 174.700 -0.048 0.000 1.113 -145 T CA -0.544 61.545 62.100 -0.019 0.000 1.008 -145 T CB 1.472 70.204 68.868 -0.226 0.000 1.259 -145 T HN 0.588 nan 8.240 nan 0.000 0.520 -144 I N 3.511 124.112 120.570 0.052 0.000 2.439 -144 I HA 0.518 4.690 4.170 0.003 0.000 0.283 -144 I C -0.372 175.920 176.117 0.292 0.000 1.023 -144 I CA -0.705 60.644 61.300 0.082 0.000 1.100 -144 I CB 1.546 39.516 38.000 -0.049 0.000 1.238 -144 I HN 0.490 nan 8.210 nan 0.000 0.445 -143 N N 3.099 121.911 118.700 0.186 0.000 3.106 -143 N HA 0.596 5.338 4.740 0.003 0.000 0.253 -143 N C -0.698 174.727 175.510 -0.142 0.000 1.506 -143 N CA -0.327 52.866 53.050 0.237 0.000 0.876 -143 N CB 2.257 40.819 38.487 0.125 0.000 1.452 -143 N HN 0.581 nan 8.380 nan 0.000 0.542 -142 G N -0.105 108.250 108.800 -0.741 0.000 2.642 -142 G HA2 0.444 4.406 3.960 0.003 0.000 0.291 -142 G HA3 0.444 4.406 3.960 0.003 0.000 0.291 -142 G C -1.917 172.035 174.900 -1.582 0.000 1.345 -142 G CA -0.944 43.306 45.100 -1.417 0.000 1.043 -142 G HN 0.372 nan 8.290 nan 0.000 0.528 -141 P HA -0.070 nan 4.420 nan 0.000 0.216 -141 P C 1.458 177.963 177.300 -1.325 0.000 1.153 -141 P CA 1.662 63.568 63.100 -1.991 0.000 0.848 -141 P CB -0.050 30.861 31.700 -1.315 0.000 0.787 -140 W N 0.315 121.338 121.300 -0.461 0.000 2.321 -140 W HA -0.116 4.546 4.660 0.003 0.000 0.285 -140 W C 1.826 178.266 176.519 -0.132 0.000 1.213 -140 W CA 1.058 58.262 57.345 -0.235 0.000 1.205 -140 W CB -2.082 27.292 29.460 -0.145 0.000 1.134 -140 W HN -0.136 nan 8.180 nan 0.000 0.549 -139 A N -0.143 122.400 122.820 -0.461 0.000 2.167 -139 A HA 0.006 4.328 4.320 0.003 0.000 0.214 -139 A C 1.541 179.117 177.584 -0.013 0.000 1.151 -139 A CA 0.876 52.850 52.037 -0.104 0.000 0.735 -139 A CB -1.112 17.806 19.000 -0.137 0.000 0.802 -139 A HN 0.444 nan 8.150 nan 0.000 0.467 -138 W N -0.162 121.044 121.300 -0.158 0.000 2.436 -138 W HA -0.023 4.638 4.660 0.003 0.000 0.284 -138 W C 2.691 179.135 176.519 -0.126 0.000 1.225 -138 W CA 0.406 57.641 57.345 -0.183 0.000 1.271 -138 W CB -1.368 28.078 29.460 -0.024 0.000 1.114 -138 W HN 0.424 nan 8.180 nan 0.000 0.559 -137 S N 1.081 116.888 115.700 0.177 0.000 2.353 -137 S HA -0.206 4.266 4.470 0.003 0.000 0.222 -137 S C 1.710 176.350 174.600 0.067 0.000 1.035 -137 S CA 1.829 60.101 58.200 0.120 0.000 1.025 -137 S CB -0.440 62.813 63.200 0.088 0.000 0.902 -137 S HN 0.138 nan 8.310 nan 0.000 0.440 -136 N N 1.146 119.877 118.700 0.052 0.000 2.453 -136 N HA 0.050 4.792 4.740 0.003 0.000 0.183 -136 N C 1.582 177.096 175.510 0.005 0.000 1.041 -136 N CA 0.929 54.001 53.050 0.037 0.000 0.900 -136 N CB -0.405 38.115 38.487 0.055 0.000 0.961 -136 N HN 0.549 nan 8.380 nan 0.000 0.443 -135 I N 0.587 121.118 120.570 -0.065 0.000 2.339 -135 I HA -0.146 4.026 4.170 0.003 0.000 0.245 -135 I C 1.560 177.634 176.117 -0.071 0.000 1.096 -135 I CA 0.683 61.886 61.300 -0.161 0.000 1.408 -135 I CB -0.173 37.495 38.000 -0.553 0.000 1.092 -135 I HN -0.108 nan 8.210 nan 0.000 0.423 -134 D N 0.880 121.281 120.400 0.002 0.000 2.133 -134 D HA -0.200 4.442 4.640 0.003 0.000 0.192 -134 D C 2.157 178.508 176.300 0.085 0.000 1.001 -134 D CA 1.903 55.986 54.000 0.139 0.000 0.844 -134 D CB -0.478 40.414 40.800 0.153 0.000 0.944 -134 D HN 0.266 nan 8.370 nan 0.000 0.447 -133 T N 0.173 114.760 114.554 0.055 0.000 2.821 -133 T HA -0.120 4.232 4.350 0.003 0.000 0.267 -133 T C 1.993 176.713 174.700 0.033 0.000 1.046 -133 T CA 1.574 63.699 62.100 0.042 0.000 1.139 -133 T CB -0.196 68.693 68.868 0.036 0.000 0.871 -133 T HN 0.241 nan 8.240 nan 0.000 0.454 -132 S N 0.847 116.564 115.700 0.029 0.000 2.555 -132 S HA 0.002 4.474 4.470 0.003 0.000 0.230 -132 S C 0.926 175.537 174.600 0.019 0.000 0.978 -132 S CA 0.533 58.745 58.200 0.019 0.000 0.934 -132 S CB -0.487 62.722 63.200 0.015 0.000 0.766 -132 S HN 0.552 nan 8.310 nan 0.000 0.533 -131 K N -0.349 120.075 120.400 0.040 0.000 3.130 -131 K HA -0.117 4.205 4.320 0.003 0.000 0.282 -131 K C -0.622 176.001 176.600 0.037 0.000 1.145 -131 K CA 0.584 56.898 56.287 0.044 0.000 0.831 -131 K CB -2.362 30.152 32.500 0.023 0.000 1.226 -131 K HN 0.381 nan 8.250 nan 0.000 0.478 -130 V N 2.051 121.993 119.914 0.045 0.000 2.521 -130 V HA -0.006 4.116 4.120 0.003 0.000 0.286 -130 V C 0.756 176.922 176.094 0.119 0.000 1.034 -130 V CA -0.323 61.993 62.300 0.027 0.000 1.045 -130 V CB 1.038 32.835 31.823 -0.044 0.000 0.974 -130 V HN 0.235 nan 8.190 nan 0.000 0.480 -129 N N 5.833 124.556 118.700 0.038 0.000 2.400 -129 N HA 0.069 4.811 4.740 0.003 0.000 0.278 -129 N C -0.797 174.699 175.510 -0.022 0.000 1.247 -129 N CA -0.032 53.018 53.050 -0.001 0.000 0.970 -129 N CB -0.194 38.263 38.487 -0.050 0.000 1.312 -129 N HN 0.587 nan 8.380 nan 0.000 0.488 -128 Y N 0.644 120.858 120.300 -0.144 0.000 2.446 -128 Y HA 0.846 5.398 4.550 0.003 0.000 0.338 -128 Y C 0.382 176.058 175.900 -0.373 0.000 1.055 -128 Y CA -1.548 56.428 58.100 -0.206 0.000 1.101 -128 Y CB 0.835 39.287 38.460 -0.014 0.000 1.221 -128 Y HN 0.261 nan 8.280 nan 0.000 0.460 -127 G N 1.106 109.491 108.800 -0.692 0.000 2.454 -127 G HA2 0.597 4.559 3.960 0.003 0.000 0.329 -127 G HA3 0.597 4.559 3.960 0.003 0.000 0.329 -127 G C -1.905 172.901 174.900 -0.158 0.000 1.177 -127 G CA -1.161 43.584 45.100 -0.590 0.000 0.951 -127 G HN 0.682 nan 8.290 nan 0.000 0.485 -126 V N 0.416 120.291 119.914 -0.067 0.000 2.483 -126 V HA 0.684 4.806 4.120 0.003 0.000 0.297 -126 V C 0.153 176.288 176.094 0.067 0.000 1.027 -126 V CA -0.478 61.832 62.300 0.016 0.000 0.855 -126 V CB 1.230 32.953 31.823 -0.166 0.000 0.995 -126 V HN 0.892 nan 8.190 nan 0.000 0.424 -125 T N 2.831 117.447 114.554 0.103 0.000 2.804 -125 T HA 0.556 4.908 4.350 0.003 0.000 0.290 -125 T C -0.822 173.871 174.700 -0.012 0.000 1.099 -125 T CA -0.346 61.770 62.100 0.027 0.000 1.011 -125 T CB 2.084 70.927 68.868 -0.041 0.000 1.291 -125 T HN 0.468 nan 8.240 nan 0.000 0.523 -124 V N 3.131 123.019 119.914 -0.044 0.000 2.740 -124 V HA 0.380 4.502 4.120 0.003 0.000 0.303 -124 V C 0.219 176.272 176.094 -0.069 0.000 1.054 -124 V CA -0.196 62.079 62.300 -0.042 0.000 1.106 -124 V CB 0.120 31.915 31.823 -0.047 0.000 0.957 -124 V HN 0.725 nan 8.190 nan 0.000 0.486 -123 L N 9.158 130.354 121.223 -0.045 0.000 2.514 -123 L HA 0.233 4.575 4.340 0.003 0.000 0.280 -123 L C -1.745 175.071 176.870 -0.091 0.000 1.223 -123 L CA -1.169 53.633 54.840 -0.063 0.000 0.864 -123 L CB 0.304 42.372 42.059 0.015 0.000 1.118 -123 L HN 0.581 nan 8.230 nan 0.000 0.494 -122 P HA 0.055 nan 4.420 nan 0.000 0.272 -122 P C -0.476 176.830 177.300 0.009 0.000 1.223 -122 P CA -0.453 62.501 63.100 -0.243 0.000 0.784 -122 P CB 0.497 31.833 31.700 -0.607 0.000 0.923 -121 T N -0.589 113.997 114.554 0.054 0.000 2.860 -121 T HA 0.365 4.717 4.350 0.003 0.000 0.299 -121 T C -0.500 174.410 174.700 0.350 0.000 1.045 -121 T CA -0.267 61.927 62.100 0.157 0.000 1.071 -121 T CB 0.098 68.994 68.868 0.046 0.000 0.985 -121 T HN 0.294 nan 8.240 nan 0.000 0.537 -120 F N 1.901 121.889 119.950 0.063 0.000 2.507 -120 F HA 0.461 4.989 4.527 0.001 0.000 0.328 -120 F C 0.467 176.199 175.800 -0.113 0.000 1.136 -120 F CA -1.387 56.566 58.000 -0.077 0.000 0.930 -120 F CB 1.116 39.961 39.000 -0.259 0.000 1.166 -120 F HN 0.884 nan 8.300 nan 0.000 0.436 -119 K N 4.688 124.665 120.400 -0.705 0.000 3.077 -119 K HA -0.208 4.114 4.320 0.003 0.000 0.264 -119 K C 0.959 177.391 176.600 -0.279 0.000 1.008 -119 K CA 0.808 56.745 56.287 -0.583 0.000 0.740 -119 K CB -1.662 30.364 32.500 -0.789 0.000 1.273 -119 K HN 1.398 nan 8.250 nan 0.000 0.477 -118 G N -0.516 108.186 108.800 -0.163 0.000 2.189 -118 G HA2 -0.342 3.620 3.960 0.003 0.000 0.267 -118 G HA3 -0.342 3.620 3.960 0.003 0.000 0.267 -118 G C 0.021 174.886 174.900 -0.059 0.000 0.975 -118 G CA 0.763 45.810 45.100 -0.089 0.000 0.644 -118 G HN 0.362 nan 8.290 nan 0.000 0.537 -117 Q N 0.653 120.419 119.800 -0.056 0.000 2.235 -117 Q HA 0.444 4.786 4.340 0.003 0.000 0.250 -117 Q C -2.402 173.613 176.000 0.025 0.000 0.909 -117 Q CA -2.001 53.789 55.803 -0.022 0.000 0.910 -117 Q CB 1.391 30.110 28.738 -0.031 0.000 1.223 -117 Q HN 0.209 nan 8.270 nan 0.000 0.432 -116 P HA 0.049 nan 4.420 nan 0.000 0.269 -116 P C -0.576 176.748 177.300 0.041 0.000 1.209 -116 P CA 0.112 63.228 63.100 0.027 0.000 0.776 -116 P CB 0.605 32.305 31.700 0.001 0.000 0.876 -115 S N 2.060 117.807 115.700 0.078 0.000 2.585 -115 S HA 0.197 4.669 4.470 0.003 0.000 0.273 -115 S C 0.329 174.930 174.600 0.002 0.000 1.339 -115 S CA -0.372 57.863 58.200 0.057 0.000 1.028 -115 S CB 0.227 63.522 63.200 0.158 0.000 0.906 -115 S HN 0.312 nan 8.310 nan 0.000 0.528 -114 K N 2.315 122.681 120.400 -0.057 0.000 2.762 -114 K HA 0.252 4.574 4.320 0.003 0.000 0.180 -114 K C -2.693 173.893 176.600 -0.022 0.000 1.067 -114 K CA -1.742 54.509 56.287 -0.060 0.000 0.973 -114 K CB 0.935 33.358 32.500 -0.128 0.000 1.290 -114 K HN 0.423 nan 8.250 nan 0.000 0.604 -113 P HA -0.056 nan 4.420 nan 0.000 0.268 -113 P C -0.425 177.011 177.300 0.226 0.000 1.208 -113 P CA -0.093 63.070 63.100 0.104 0.000 0.777 -113 P CB 0.502 32.229 31.700 0.046 0.000 0.875 -112 F N 1.226 121.323 119.950 0.245 0.000 2.396 -112 F HA 0.167 4.696 4.527 0.004 0.000 0.343 -112 F C 0.451 176.389 175.800 0.230 0.000 1.104 -112 F CA -0.656 57.506 58.000 0.269 0.000 1.161 -112 F CB 0.724 39.903 39.000 0.299 0.000 1.146 -112 F HN -0.034 nan 8.300 nan 0.000 0.522 -111 V N 3.631 123.853 119.914 0.514 0.000 2.472 -111 V HA 0.658 4.780 4.120 0.003 0.000 0.290 -111 V C 0.388 176.726 176.094 0.407 0.000 1.037 -111 V CA -0.706 61.816 62.300 0.371 0.000 0.908 -111 V CB 1.282 33.268 31.823 0.271 0.000 0.985 -111 V HN 0.864 nan 8.190 nan 0.000 0.454 -110 G N 2.939 111.956 108.800 0.363 0.000 2.415 -110 G HA2 0.577 4.539 3.960 0.003 0.000 0.327 -110 G HA3 0.577 4.539 3.960 0.003 0.000 0.327 -110 G C -1.047 174.041 174.900 0.313 0.000 1.182 -110 G CA -0.469 44.835 45.100 0.340 0.000 0.924 -110 G HN 0.538 nan 8.290 nan 0.000 0.470 -109 V N 3.645 123.827 119.914 0.446 0.000 2.348 -109 V HA 0.171 4.293 4.120 0.003 0.000 0.270 -109 V C 0.316 176.490 176.094 0.134 0.000 1.037 -109 V CA -0.787 61.615 62.300 0.171 0.000 0.872 -109 V CB 0.968 32.752 31.823 -0.065 0.000 1.002 -109 V HN 0.690 nan 8.190 nan 0.000 0.464 -108 L N 6.286 127.551 121.223 0.069 0.000 2.584 -108 L HA 0.265 4.607 4.340 0.003 0.000 0.272 -108 L C 0.352 177.246 176.870 0.040 0.000 1.195 -108 L CA 1.224 56.099 54.840 0.059 0.000 0.920 -108 L CB 0.183 42.285 42.059 0.072 0.000 1.173 -108 L HN 0.767 nan 8.230 nan 0.000 0.489 -107 S N 3.309 119.013 115.700 0.006 0.000 2.595 -107 S HA 0.907 5.379 4.470 0.003 0.000 0.281 -107 S C -0.866 173.614 174.600 -0.201 0.000 1.117 -107 S CA -0.381 57.705 58.200 -0.190 0.000 0.873 -107 S CB 1.828 64.701 63.200 -0.545 0.000 1.108 -107 S HN 0.913 nan 8.310 nan 0.000 0.477 -106 A N 1.035 123.673 122.820 -0.304 0.000 2.311 -106 A HA 0.804 5.126 4.320 0.003 0.000 0.306 -106 A C 0.149 177.693 177.584 -0.067 0.000 1.189 -106 A CA -0.566 51.167 52.037 -0.506 0.000 0.791 -106 A CB 0.550 19.054 19.000 -0.828 0.000 1.172 -106 A HN 0.948 nan 8.150 nan 0.000 0.481 -105 G N 0.991 109.860 108.800 0.115 0.000 2.441 -105 G HA2 0.609 4.571 3.960 0.003 0.000 0.334 -105 G HA3 0.609 4.571 3.960 0.003 0.000 0.334 -105 G C -0.705 174.219 174.900 0.041 0.000 1.161 -105 G CA -0.624 44.628 45.100 0.254 0.000 0.935 -105 G HN 0.671 nan 8.290 nan 0.000 0.488 -104 I N 1.445 122.062 120.570 0.078 0.000 2.378 -104 I HA 0.163 4.335 4.170 0.003 0.000 0.291 -104 I C -0.046 176.093 176.117 0.038 0.000 0.992 -104 I CA -0.951 60.370 61.300 0.035 0.000 1.154 -104 I CB 1.765 39.810 38.000 0.076 0.000 1.315 -104 I HN 0.346 nan 8.210 nan 0.000 0.448 -103 N N 4.331 123.037 118.700 0.009 0.000 2.447 -103 N HA 0.024 4.766 4.740 0.003 0.000 0.263 -103 N C 0.884 176.412 175.510 0.029 0.000 1.226 -103 N CA 0.293 53.374 53.050 0.052 0.000 0.906 -103 N CB 1.566 40.057 38.487 0.008 0.000 1.060 -103 N HN 0.820 nan 8.380 nan 0.000 0.468 -102 A N 4.043 126.884 122.820 0.036 0.000 1.978 -102 A HA -0.114 4.208 4.320 0.003 0.000 0.220 -102 A C 1.808 179.391 177.584 -0.001 0.000 1.170 -102 A CA 1.918 53.967 52.037 0.021 0.000 0.636 -102 A CB -0.383 18.628 19.000 0.019 0.000 0.810 -102 A HN 0.749 nan 8.150 nan 0.000 0.448 -101 A N -0.788 122.018 122.820 -0.023 0.000 2.251 -101 A HA 0.370 4.692 4.320 0.003 0.000 0.209 -101 A C 1.309 178.874 177.584 -0.032 0.000 1.187 -101 A CA 0.683 52.700 52.037 -0.033 0.000 0.823 -101 A CB -0.478 18.487 19.000 -0.057 0.000 0.846 -101 A HN 0.470 nan 8.150 nan 0.000 0.486 -100 S N 1.265 116.948 115.700 -0.028 0.000 2.533 -100 S HA 0.266 4.738 4.470 0.003 0.000 0.282 -100 S C -1.451 173.140 174.600 -0.016 0.000 1.304 -100 S CA -0.895 57.286 58.200 -0.030 0.000 1.063 -100 S CB 0.690 63.869 63.200 -0.034 0.000 0.881 -100 S HN 0.295 nan 8.310 nan 0.000 0.493 -99 P HA 0.191 nan 4.420 nan 0.000 0.257 -99 P C -0.405 176.896 177.300 0.001 0.000 1.325 -99 P CA 0.097 63.194 63.100 -0.006 0.000 0.850 -99 P CB -0.060 31.635 31.700 -0.007 0.000 1.324 -98 N N 0.104 118.803 118.700 -0.001 0.000 2.351 -98 N HA 0.117 4.859 4.740 0.003 0.000 0.254 -98 N C 1.059 176.578 175.510 0.016 0.000 1.241 -98 N CA -0.247 52.809 53.050 0.009 0.000 0.883 -98 N CB 0.508 38.993 38.487 -0.003 0.000 1.202 -98 N HN 0.135 nan 8.380 nan 0.000 0.512 -97 K N 0.870 121.281 120.400 0.019 0.000 2.113 -97 K HA -0.116 4.206 4.320 0.003 0.000 0.208 -97 K C 1.317 177.945 176.600 0.046 0.000 1.047 -97 K CA 1.061 57.366 56.287 0.031 0.000 0.928 -97 K CB 0.268 32.788 32.500 0.035 0.000 0.716 -97 K HN 0.213 nan 8.250 nan 0.000 0.446 -96 E N 0.818 121.048 120.200 0.050 0.000 2.072 -96 E HA -0.146 4.206 4.350 0.003 0.000 0.191 -96 E C 2.128 178.783 176.600 0.092 0.000 0.985 -96 E CA 0.914 57.352 56.400 0.065 0.000 0.801 -96 E CB -0.096 29.639 29.700 0.059 0.000 0.750 -96 E HN 0.327 nan 8.360 nan 0.000 0.452 -95 L N 0.447 121.730 121.223 0.100 0.000 2.131 -95 L HA -0.142 4.200 4.340 0.003 0.000 0.210 -95 L C 2.581 179.489 176.870 0.063 0.000 1.092 -95 L CA 0.965 55.904 54.840 0.165 0.000 0.759 -95 L CB -0.527 41.636 42.059 0.173 0.000 0.903 -95 L HN 0.055 nan 8.230 nan 0.000 0.435 -94 A N 0.181 123.008 122.820 0.012 0.000 1.873 -94 A HA -0.230 4.092 4.320 0.003 0.000 0.215 -94 A C 2.436 180.023 177.584 0.005 0.000 1.186 -94 A CA 1.786 53.809 52.037 -0.022 0.000 0.616 -94 A CB -0.407 18.587 19.000 -0.010 0.000 0.823 -94 A HN 0.301 nan 8.150 nan 0.000 0.442 -93 K N -0.321 120.097 120.400 0.029 0.000 2.057 -93 K HA -0.206 4.116 4.320 0.003 0.000 0.207 -93 K C 2.079 178.655 176.600 -0.040 0.000 1.049 -93 K CA 1.750 58.035 56.287 -0.003 0.000 0.931 -93 K CB -0.175 32.361 32.500 0.060 0.000 0.714 -93 K HN 0.625 nan 8.250 nan 0.000 0.440 -92 E N -0.438 119.805 120.200 0.072 0.000 2.106 -92 E HA -0.190 4.162 4.350 0.003 0.000 0.192 -92 E C 1.867 178.586 176.600 0.198 0.000 0.984 -92 E CA 0.881 57.383 56.400 0.170 0.000 0.806 -92 E CB -0.158 29.730 29.700 0.313 0.000 0.750 -92 E HN 0.362 nan 8.360 nan 0.000 0.458 -91 F N 1.023 120.869 119.950 -0.174 0.000 2.075 -91 F HA -0.170 4.359 4.527 0.003 0.000 0.297 -91 F C 1.897 177.593 175.800 -0.173 0.000 1.113 -91 F CA 1.381 59.104 58.000 -0.463 0.000 1.218 -91 F CB -0.122 38.306 39.000 -0.953 0.000 0.984 -91 F HN -0.020 nan 8.300 nan 0.000 0.472 -90 L N 0.041 121.147 121.223 -0.194 0.000 2.056 -90 L HA -0.181 4.161 4.340 0.003 0.000 0.207 -90 L C 2.443 179.078 176.870 -0.393 0.000 1.078 -90 L CA 1.672 56.291 54.840 -0.369 0.000 0.749 -90 L CB -0.692 41.044 42.059 -0.539 0.000 0.901 -90 L HN 0.204 nan 8.230 nan 0.000 0.433 -89 E N -0.138 119.819 120.200 -0.405 0.000 2.046 -89 E HA -0.125 4.227 4.350 0.003 0.000 0.190 -89 E C 1.479 178.040 176.600 -0.066 0.000 0.982 -89 E CA 0.975 57.136 56.400 -0.397 0.000 0.800 -89 E CB 0.071 29.402 29.700 -0.615 0.000 0.756 -89 E HN 0.472 nan 8.360 nan 0.000 0.449 -88 N N -1.027 117.661 118.700 -0.021 0.000 2.299 -88 N HA 0.024 4.766 4.740 0.003 0.000 0.187 -88 N C 0.561 175.941 175.510 -0.216 0.000 1.099 -88 N CA 0.579 53.608 53.050 -0.036 0.000 0.867 -88 N CB 0.436 38.930 38.487 0.013 0.000 0.974 -88 N HN 0.198 nan 8.380 nan 0.000 0.477 -87 Y N -0.426 119.764 120.300 -0.183 0.000 2.817 -87 Y HA 0.225 4.777 4.550 0.003 0.000 0.257 -87 Y C 1.783 177.487 175.900 -0.327 0.000 1.055 -87 Y CA -0.363 57.594 58.100 -0.239 0.000 1.319 -87 Y CB -0.437 37.859 38.460 -0.273 0.000 1.481 -87 Y HN -0.161 nan 8.280 nan 0.000 0.471 -86 L N 0.591 121.588 121.223 -0.376 0.000 1.988 -86 L HA -0.028 4.314 4.340 0.003 0.000 0.207 -86 L C 0.936 177.746 176.870 -0.101 0.000 1.071 -86 L CA 1.827 56.506 54.840 -0.268 0.000 0.744 -86 L CB -0.783 41.098 42.059 -0.298 0.000 0.893 -86 L HN 0.155 nan 8.230 nan 0.000 0.433 -85 L N 1.205 122.403 121.223 -0.041 0.000 2.697 -85 L HA 0.114 4.456 4.340 0.003 0.000 0.239 -85 L C -0.092 176.801 176.870 0.038 0.000 1.430 -85 L CA 0.094 54.975 54.840 0.068 0.000 1.193 -85 L CB -1.661 40.562 42.059 0.273 0.000 1.516 -85 L HN 0.454 nan 8.230 nan 0.000 0.439 -84 T N -6.438 108.090 114.554 -0.044 0.000 2.900 -84 T HA 0.253 4.605 4.350 0.003 0.000 0.303 -84 T C 0.571 175.172 174.700 -0.166 0.000 1.142 -84 T CA -0.912 61.140 62.100 -0.080 0.000 1.007 -84 T CB 2.062 70.872 68.868 -0.096 0.000 1.156 -84 T HN -0.005 nan 8.240 nan 0.000 0.490 -83 D N 1.043 121.328 120.400 -0.191 0.000 2.126 -83 D HA -0.174 4.468 4.640 0.003 0.000 0.190 -83 D C 1.656 177.711 176.300 -0.407 0.000 1.001 -83 D CA 1.922 55.694 54.000 -0.380 0.000 0.841 -83 D CB -0.174 40.506 40.800 -0.201 0.000 0.949 -83 D HN 0.872 nan 8.370 nan 0.000 0.446 -82 E N -0.032 120.037 120.200 -0.219 0.000 2.065 -82 E HA -0.196 4.156 4.350 0.003 0.000 0.201 -82 E C 2.159 178.671 176.600 -0.147 0.000 1.016 -82 E CA 1.676 57.984 56.400 -0.154 0.000 0.818 -82 E CB -0.352 29.288 29.700 -0.101 0.000 0.749 -82 E HN 0.335 nan 8.360 nan 0.000 0.453 -81 G N 0.177 108.892 108.800 -0.142 0.000 2.394 -81 G HA2 -0.186 3.776 3.960 0.003 0.000 0.215 -81 G HA3 -0.186 3.776 3.960 0.003 0.000 0.215 -81 G C 1.520 176.354 174.900 -0.110 0.000 1.165 -81 G CA 0.478 45.516 45.100 -0.103 0.000 0.784 -81 G HN 0.165 nan 8.290 nan 0.000 0.535 -80 L N 0.059 121.176 121.223 -0.177 0.000 2.109 -80 L HA 0.049 4.391 4.340 0.003 0.000 0.207 -80 L C 2.709 179.507 176.870 -0.120 0.000 1.086 -80 L CA 1.159 55.929 54.840 -0.118 0.000 0.760 -80 L CB -0.317 41.702 42.059 -0.067 0.000 0.910 -80 L HN 0.335 nan 8.230 nan 0.000 0.437 -79 E N 0.739 120.728 120.200 -0.352 0.000 2.110 -79 E HA -0.237 4.115 4.350 0.003 0.000 0.193 -79 E C 2.196 178.782 176.600 -0.023 0.000 0.988 -79 E CA 1.125 57.426 56.400 -0.164 0.000 0.804 -79 E CB 0.076 29.618 29.700 -0.264 0.000 0.745 -79 E HN 0.447 nan 8.360 nan 0.000 0.458 -78 A N 0.456 123.247 122.820 -0.048 0.000 1.902 -78 A HA -0.139 4.183 4.320 0.003 0.000 0.217 -78 A C 2.339 179.927 177.584 0.007 0.000 1.181 -78 A CA 1.564 53.597 52.037 -0.007 0.000 0.623 -78 A CB -0.494 18.505 19.000 -0.001 0.000 0.818 -78 A HN 0.231 nan 8.150 nan 0.000 0.443 -77 V N 0.217 120.134 119.914 0.005 0.000 2.488 -77 V HA -0.152 3.970 4.120 0.003 0.000 0.246 -77 V C 2.266 178.379 176.094 0.032 0.000 1.046 -77 V CA 1.965 64.267 62.300 0.004 0.000 1.053 -77 V CB -1.034 30.784 31.823 -0.008 0.000 0.679 -77 V HN 0.673 nan 8.190 nan 0.000 0.458 -76 N N 0.502 119.252 118.700 0.084 0.000 2.244 -76 N HA -0.130 4.612 4.740 0.003 0.000 0.183 -76 N C 1.707 177.281 175.510 0.106 0.000 1.016 -76 N CA 1.129 54.255 53.050 0.128 0.000 0.866 -76 N CB -0.104 38.533 38.487 0.250 0.000 0.980 -76 N HN 0.381 nan 8.380 nan 0.000 0.430 -75 K N -0.579 119.873 120.400 0.087 0.000 2.486 -75 K HA -0.051 4.271 4.320 0.003 0.000 0.194 -75 K C 0.596 177.221 176.600 0.041 0.000 1.033 -75 K CA 0.514 56.846 56.287 0.074 0.000 1.004 -75 K CB 0.193 32.732 32.500 0.065 0.000 0.798 -75 K HN 0.272 nan 8.250 nan 0.000 0.495 -74 D N 0.730 121.140 120.400 0.016 0.000 2.394 -74 D HA 0.004 4.646 4.640 0.003 0.000 0.237 -74 D C -0.150 176.142 176.300 -0.013 0.000 1.028 -74 D CA 1.081 55.065 54.000 -0.026 0.000 0.937 -74 D CB 0.583 41.334 40.800 -0.080 0.000 1.072 -74 D HN -0.192 nan 8.370 nan 0.000 0.457 -73 K N 0.714 121.112 120.400 -0.004 0.000 2.507 -73 K HA 0.410 4.732 4.320 0.003 0.000 0.251 -73 K C -2.701 173.919 176.600 0.032 0.000 0.943 -73 K CA -2.064 54.240 56.287 0.029 0.000 0.794 -73 K CB 1.967 34.491 32.500 0.039 0.000 1.188 -73 K HN -0.022 nan 8.250 nan 0.000 0.428 -72 P HA 0.091 nan 4.420 nan 0.000 0.265 -72 P C 0.535 177.786 177.300 -0.082 0.000 1.193 -72 P CA -0.033 63.054 63.100 -0.021 0.000 0.765 -72 P CB 0.528 32.200 31.700 -0.047 0.000 0.823 -71 L N 1.884 123.101 121.223 -0.010 0.000 2.492 -71 L HA 0.170 4.512 4.340 0.003 0.000 0.223 -71 L C 1.480 178.340 176.870 -0.017 0.000 1.132 -71 L CA 1.021 55.872 54.840 0.018 0.000 0.850 -71 L CB -0.861 41.240 42.059 0.070 0.000 0.966 -71 L HN 0.738 nan 8.230 nan 0.000 0.454 -70 G N -0.222 108.514 108.800 -0.106 0.000 2.482 -70 G HA2 -0.130 3.832 3.960 0.003 0.000 0.214 -70 G HA3 -0.130 3.832 3.960 0.003 0.000 0.214 -70 G C -0.322 174.589 174.900 0.018 0.000 1.271 -70 G CA -0.466 44.588 45.100 -0.076 0.000 0.944 -70 G HN 0.347 nan 8.290 nan 0.000 0.568 -69 A N 0.279 123.127 122.820 0.046 0.000 2.395 -69 A HA 0.682 5.004 4.320 0.003 0.000 0.286 -69 A C 1.059 178.680 177.584 0.061 0.000 1.193 -69 A CA 0.630 52.696 52.037 0.049 0.000 0.852 -69 A CB -0.324 18.705 19.000 0.048 0.000 1.118 -69 A HN 2.321 nan 8.150 nan 0.000 0.524 -68 V N 0.594 120.551 119.914 0.071 0.000 3.185 -68 V HA 0.548 4.670 4.120 0.003 0.000 0.305 -68 V C 1.130 177.311 176.094 0.144 0.000 1.090 -68 V CA 0.329 62.694 62.300 0.109 0.000 1.107 -68 V CB 0.873 32.800 31.823 0.173 0.000 1.061 -68 V HN 1.105 nan 8.190 nan 0.000 0.480 -67 A N 2.535 125.413 122.820 0.097 0.000 2.178 -67 A HA 0.354 4.676 4.320 0.003 0.000 0.211 -67 A C 1.017 178.630 177.584 0.049 0.000 1.157 -67 A CA 0.254 52.343 52.037 0.086 0.000 0.780 -67 A CB -0.385 18.531 19.000 -0.141 0.000 0.828 -67 A HN 1.016 nan 8.150 nan 0.000 0.476 -66 L N 0.750 122.001 121.223 0.045 0.000 2.342 -66 L HA 0.243 4.585 4.340 0.003 0.000 0.285 -66 L C 1.095 177.951 176.870 -0.023 0.000 1.095 -66 L CA -0.012 54.805 54.840 -0.039 0.000 0.843 -66 L CB 0.230 42.307 42.059 0.030 0.000 1.201 -66 L HN 0.226 nan 8.230 nan 0.000 0.445 -65 K N 1.558 121.799 120.400 -0.265 0.000 2.052 -65 K HA -0.251 4.071 4.320 0.003 0.000 0.215 -65 K C 1.969 178.537 176.600 -0.054 0.000 1.053 -65 K CA 2.193 58.279 56.287 -0.335 0.000 0.934 -65 K CB -0.166 32.043 32.500 -0.485 0.000 0.717 -65 K HN 0.920 nan 8.250 nan 0.000 0.450 -64 S N 0.019 115.700 115.700 -0.031 0.000 2.383 -64 S HA -0.190 4.282 4.470 0.003 0.000 0.227 -64 S C 2.056 176.735 174.600 0.132 0.000 1.026 -64 S CA 0.944 59.165 58.200 0.035 0.000 0.981 -64 S CB -0.554 62.654 63.200 0.014 0.000 0.818 -64 S HN 0.357 nan 8.310 nan 0.000 0.472 -63 Y N 2.513 122.814 120.300 0.002 0.000 2.314 -63 Y HA 0.107 4.659 4.550 0.003 0.000 0.293 -63 Y C 2.416 178.352 175.900 0.059 0.000 1.129 -63 Y CA 1.382 59.498 58.100 0.027 0.000 1.201 -63 Y CB -0.683 37.790 38.460 0.022 0.000 0.999 -63 Y HN 0.363 nan 8.280 nan 0.000 0.541 -62 E N 0.835 121.073 120.200 0.064 0.000 2.153 -62 E HA -0.202 4.150 4.350 0.003 0.000 0.194 -62 E C 1.714 178.321 176.600 0.011 0.000 0.988 -62 E CA 1.769 58.185 56.400 0.027 0.000 0.811 -62 E CB -0.227 29.613 29.700 0.232 0.000 0.746 -62 E HN 0.639 nan 8.360 nan 0.000 0.466 -61 E N -0.029 120.199 120.200 0.046 0.000 2.204 -61 E HA -0.179 4.173 4.350 0.003 0.000 0.195 -61 E C 1.795 178.394 176.600 -0.002 0.000 0.990 -61 E CA 1.138 57.561 56.400 0.037 0.000 0.821 -61 E CB -0.004 29.725 29.700 0.048 0.000 0.750 -61 E HN 0.295 nan 8.360 nan 0.000 0.477 -60 E N 0.427 120.602 120.200 -0.042 0.000 2.102 -60 E HA -0.022 4.330 4.350 0.003 0.000 0.190 -60 E C 2.242 178.778 176.600 -0.107 0.000 0.971 -60 E CA 0.470 56.838 56.400 -0.054 0.000 0.821 -60 E CB -0.001 29.693 29.700 -0.011 0.000 0.777 -60 E HN 0.309 nan 8.360 nan 0.000 0.460 -59 L N 0.718 121.811 121.223 -0.216 0.000 2.156 -59 L HA -0.022 4.320 4.340 0.003 0.000 0.208 -59 L C 2.483 179.315 176.870 -0.063 0.000 1.095 -59 L CA 0.764 55.500 54.840 -0.172 0.000 0.770 -59 L CB -0.552 41.346 42.059 -0.269 0.000 0.914 -59 L HN 0.028 nan 8.230 nan 0.000 0.439 -58 A N -0.093 122.701 122.820 -0.043 0.000 2.032 -58 A HA -0.184 4.138 4.320 0.003 0.000 0.221 -58 A C 1.990 179.568 177.584 -0.010 0.000 1.165 -58 A CA 1.392 53.423 52.037 -0.010 0.000 0.645 -58 A CB -0.269 18.735 19.000 0.008 0.000 0.807 -58 A HN 0.190 nan 8.150 nan 0.000 0.453 -57 K N 0.714 121.103 120.400 -0.017 0.000 2.551 -57 K HA 0.006 4.328 4.320 0.003 0.000 0.192 -57 K C -0.261 176.322 176.600 -0.028 0.000 1.027 -57 K CA 0.110 56.386 56.287 -0.019 0.000 1.059 -57 K CB -0.300 32.191 32.500 -0.016 0.000 0.831 -57 K HN 0.502 nan 8.250 nan 0.000 0.508 -56 D N 0.805 121.189 120.400 -0.027 0.000 2.233 -56 D HA 0.138 4.780 4.640 0.003 0.000 0.240 -56 D C -1.946 174.316 176.300 -0.063 0.000 1.074 -56 D CA -2.427 51.545 54.000 -0.047 0.000 0.838 -56 D CB 1.950 42.737 40.800 -0.022 0.000 1.124 -56 D HN -0.203 nan 8.370 nan 0.000 0.475 -55 P HA -0.081 nan 4.420 nan 0.000 0.219 -55 P C 1.060 178.285 177.300 -0.125 0.000 1.146 -55 P CA 1.076 64.114 63.100 -0.102 0.000 0.808 -55 P CB 0.343 31.965 31.700 -0.129 0.000 0.779 -54 R N -0.977 119.391 120.500 -0.221 0.000 2.090 -54 R HA 0.006 4.348 4.340 0.003 0.000 0.228 -54 R C 2.140 178.440 176.300 0.000 0.000 1.110 -54 R CA 0.952 56.845 56.100 -0.345 0.000 0.973 -54 R CB -0.635 29.032 30.300 -1.054 0.000 0.869 -54 R HN 0.178 nan 8.270 nan 0.000 0.440 -53 I N 0.778 121.407 120.570 0.097 0.000 2.353 -53 I HA -0.106 4.066 4.170 0.003 0.000 0.248 -53 I C 2.508 178.680 176.117 0.092 0.000 1.119 -53 I CA 0.963 62.381 61.300 0.197 0.000 1.417 -53 I CB -1.278 36.809 38.000 0.144 0.000 1.078 -53 I HN 0.118 nan 8.210 nan 0.000 0.421 -52 A N 1.478 124.316 122.820 0.031 0.000 1.859 -52 A HA -0.229 4.093 4.320 0.003 0.000 0.217 -52 A C 2.610 180.205 177.584 0.018 0.000 1.198 -52 A CA 2.566 54.608 52.037 0.009 0.000 0.629 -52 A CB -1.001 17.990 19.000 -0.014 0.000 0.830 -52 A HN 0.407 nan 8.150 nan 0.000 0.446 -51 A N -1.130 121.700 122.820 0.017 0.000 1.908 -51 A HA -0.124 4.198 4.320 0.003 0.000 0.218 -51 A C 2.298 179.923 177.584 0.069 0.000 1.181 -51 A CA 2.503 54.557 52.037 0.029 0.000 0.627 -51 A CB -1.485 17.524 19.000 0.015 0.000 0.818 -51 A HN 0.500 nan 8.150 nan 0.000 0.445 -50 T N 0.151 114.783 114.554 0.130 0.000 2.635 -50 T HA -0.228 4.124 4.350 0.003 0.000 0.267 -50 T C 1.941 176.683 174.700 0.070 0.000 1.040 -50 T CA 1.877 64.057 62.100 0.133 0.000 1.156 -50 T CB -0.302 68.673 68.868 0.179 0.000 0.863 -50 T HN 0.304 nan 8.240 nan 0.000 0.430 -49 M N 0.998 120.626 119.600 0.048 0.000 2.117 -49 M HA -0.021 4.461 4.480 0.003 0.000 0.262 -49 M C 2.325 178.620 176.300 -0.008 0.000 1.065 -49 M CA 1.247 56.551 55.300 0.007 0.000 1.114 -49 M CB -1.183 31.409 32.600 -0.013 0.000 1.361 -49 M HN 0.379 nan 8.290 nan 0.000 0.408 -48 E N 0.233 120.432 120.200 -0.002 0.000 2.085 -48 E HA -0.214 4.138 4.350 0.003 0.000 0.194 -48 E C 1.636 178.234 176.600 -0.004 0.000 0.994 -48 E CA 1.100 57.494 56.400 -0.010 0.000 0.801 -48 E CB 0.087 29.780 29.700 -0.011 0.000 0.743 -48 E HN 0.497 nan 8.360 nan 0.000 0.453 -47 N N 0.173 118.881 118.700 0.012 0.000 2.331 -47 N HA -0.103 4.639 4.740 0.003 0.000 0.180 -47 N C 1.655 177.179 175.510 0.024 0.000 1.019 -47 N CA 0.928 53.989 53.050 0.018 0.000 0.881 -47 N CB -0.156 38.349 38.487 0.030 0.000 0.972 -47 N HN 0.168 nan 8.380 nan 0.000 0.435 -46 A N 1.243 124.077 122.820 0.023 0.000 1.858 -46 A HA -0.215 4.107 4.320 0.003 0.000 0.216 -46 A C 2.274 179.852 177.584 -0.011 0.000 1.190 -46 A CA 1.483 53.532 52.037 0.021 0.000 0.617 -46 A CB -0.702 18.302 19.000 0.007 0.000 0.827 -46 A HN 0.159 nan 8.150 nan 0.000 0.443 -45 Q N -0.170 119.607 119.800 -0.038 0.000 2.077 -45 Q HA -0.184 4.158 4.340 0.003 0.000 0.206 -45 Q C 2.010 177.991 176.000 -0.031 0.000 0.989 -45 Q CA 2.345 58.115 55.803 -0.054 0.000 0.853 -45 Q CB -0.285 28.420 28.738 -0.055 0.000 0.907 -45 Q HN 0.681 nan 8.270 nan 0.000 0.418 -44 K N -0.740 119.650 120.400 -0.017 0.000 2.147 -44 K HA -0.033 4.289 4.320 0.003 0.000 0.205 -44 K C 1.185 177.783 176.600 -0.003 0.000 1.049 -44 K CA 0.969 57.249 56.287 -0.012 0.000 0.936 -44 K CB -0.401 32.095 32.500 -0.007 0.000 0.722 -44 K HN 0.318 nan 8.250 nan 0.000 0.446 -43 G N 0.411 109.221 108.800 0.017 0.000 2.624 -43 G HA2 0.127 4.089 3.960 0.003 0.000 0.217 -43 G HA3 0.127 4.089 3.960 0.003 0.000 0.217 -43 G C -0.958 173.979 174.900 0.063 0.000 1.506 -43 G CA -0.276 44.849 45.100 0.042 0.000 1.072 -43 G HN 0.188 nan 8.290 nan 0.000 0.568 -42 E N -1.307 118.982 120.200 0.148 0.000 2.321 -42 E HA 0.303 4.655 4.350 0.003 0.000 0.281 -42 E C -0.495 176.324 176.600 0.365 0.000 0.910 -42 E CA -0.785 55.737 56.400 0.203 0.000 0.770 -42 E CB 1.420 31.237 29.700 0.194 0.000 1.225 -42 E HN 0.211 nan 8.360 nan 0.000 0.417 -41 I N 4.139 124.872 120.570 0.272 0.000 2.752 -41 I HA 0.038 4.210 4.170 0.003 0.000 0.287 -41 I C 0.984 177.342 176.117 0.403 0.000 1.188 -41 I CA 0.378 61.873 61.300 0.326 0.000 1.427 -41 I CB 0.132 38.267 38.000 0.225 0.000 1.365 -41 I HN 0.730 nan 8.210 nan 0.000 0.585 -40 M N 7.382 127.175 119.600 0.322 0.000 2.248 -40 M HA 0.117 4.599 4.480 0.003 0.000 0.345 -40 M C -1.972 174.360 176.300 0.055 0.000 1.243 -40 M CA -1.155 54.078 55.300 -0.111 0.000 1.090 -40 M CB -0.078 32.318 32.600 -0.340 0.000 1.683 -40 M HN 0.299 nan 8.290 nan 0.000 0.450 -39 P HA 0.019 nan 4.420 nan 0.000 0.270 -39 P C -0.507 176.713 177.300 -0.134 0.000 1.223 -39 P CA -0.009 62.911 63.100 -0.299 0.000 0.785 -39 P CB 0.254 31.466 31.700 -0.813 0.000 0.923 -38 N N 0.967 119.664 118.700 -0.005 0.000 2.275 -38 N HA 0.060 4.802 4.740 0.003 0.000 0.236 -38 N C 0.345 175.871 175.510 0.026 0.000 1.154 -38 N CA -0.447 52.639 53.050 0.060 0.000 0.866 -38 N CB -0.777 37.865 38.487 0.258 0.000 1.093 -38 N HN 0.414 nan 8.380 nan 0.000 0.515 -37 I N -2.834 117.704 120.570 -0.054 0.000 2.945 -37 I HA 0.399 4.571 4.170 0.003 0.000 0.292 -37 I C -1.686 174.393 176.117 -0.062 0.000 1.093 -37 I CA -1.963 59.334 61.300 -0.006 0.000 1.336 -37 I CB 0.744 38.661 38.000 -0.138 0.000 1.435 -37 I HN -0.291 nan 8.210 nan 0.000 0.593 -36 P HA -0.007 nan 4.420 nan 0.000 0.237 -36 P C 0.670 177.946 177.300 -0.039 0.000 1.178 -36 P CA 0.854 63.915 63.100 -0.064 0.000 0.766 -36 P CB 0.084 31.766 31.700 -0.031 0.000 0.876 -35 Q N -1.759 118.000 119.800 -0.069 0.000 2.444 -35 Q HA 0.126 4.468 4.340 0.003 0.000 0.206 -35 Q C 1.761 177.854 176.000 0.154 0.000 0.948 -35 Q CA 0.605 56.404 55.803 -0.006 0.000 0.946 -35 Q CB -0.609 28.029 28.738 -0.167 0.000 1.027 -35 Q HN 0.112 nan 8.270 nan 0.000 0.513 -34 M N -0.495 119.164 119.600 0.098 0.000 2.202 -34 M HA -0.160 4.322 4.480 0.003 0.000 0.262 -34 M C 1.991 178.459 176.300 0.280 0.000 1.063 -34 M CA 1.254 56.651 55.300 0.162 0.000 1.097 -34 M CB -0.984 31.655 32.600 0.065 0.000 1.382 -34 M HN 0.182 nan 8.290 nan 0.000 0.413 -33 S N 0.231 116.056 115.700 0.207 0.000 2.351 -33 S HA -0.106 4.366 4.470 0.003 0.000 0.220 -33 S C 1.979 176.719 174.600 0.232 0.000 1.035 -33 S CA 1.603 59.926 58.200 0.206 0.000 1.031 -33 S CB -0.177 63.070 63.200 0.079 0.000 0.928 -33 S HN 0.555 nan 8.310 nan 0.000 0.433 -32 A N 0.617 123.546 122.820 0.181 0.000 1.902 -32 A HA -0.062 4.260 4.320 0.003 0.000 0.217 -32 A C 1.932 179.646 177.584 0.218 0.000 1.181 -32 A CA 1.736 53.878 52.037 0.175 0.000 0.623 -32 A CB -1.052 18.034 19.000 0.144 0.000 0.818 -32 A HN 0.618 nan 8.150 nan 0.000 0.443 -31 F N -0.729 119.280 119.950 0.098 0.000 2.043 -31 F HA -0.263 4.266 4.527 0.003 0.000 0.297 -31 F C 2.066 177.825 175.800 -0.068 0.000 1.118 -31 F CA 2.056 60.008 58.000 -0.079 0.000 1.202 -31 F CB -0.679 38.133 39.000 -0.313 0.000 0.965 -31 F HN 0.416 nan 8.300 nan 0.000 0.482 -30 W N -1.470 119.782 121.300 -0.081 0.000 2.388 -30 W HA -0.207 4.455 4.660 0.003 0.000 0.294 -30 W C 2.478 178.926 176.519 -0.119 0.000 1.212 -30 W CA 1.202 58.441 57.345 -0.176 0.000 1.271 -30 W CB -0.808 28.687 29.460 0.059 0.000 1.126 -30 W HN 0.182 nan 8.180 nan 0.000 0.535 -29 Y N 0.816 121.186 120.300 0.117 0.000 2.181 -29 Y HA -0.226 4.326 4.550 0.004 0.000 0.288 -29 Y C 2.338 178.234 175.900 -0.007 0.000 1.146 -29 Y CA 2.090 60.225 58.100 0.058 0.000 1.164 -29 Y CB -0.678 37.816 38.460 0.056 0.000 0.982 -29 Y HN -0.087 nan 8.280 nan 0.000 0.515 -28 A N -0.808 122.076 122.820 0.107 0.000 1.877 -28 A HA -0.161 4.161 4.320 0.003 0.000 0.216 -28 A C 2.256 179.769 177.584 -0.118 0.000 1.186 -28 A CA 2.123 54.161 52.037 0.002 0.000 0.620 -28 A CB -1.231 17.761 19.000 -0.013 0.000 0.822 -28 A HN 0.315 nan 8.150 nan 0.000 0.443 -27 V N -0.126 119.647 119.914 -0.235 0.000 2.488 -27 V HA -0.173 3.949 4.120 0.003 0.000 0.246 -27 V C 2.559 178.639 176.094 -0.024 0.000 1.046 -27 V CA 1.880 64.081 62.300 -0.166 0.000 1.053 -27 V CB -0.840 30.777 31.823 -0.343 0.000 0.679 -27 V HN 0.656 nan 8.190 nan 0.000 0.458 -26 R N 0.475 120.968 120.500 -0.012 0.000 2.094 -26 R HA -0.215 4.127 4.340 0.003 0.000 0.239 -26 R C 2.355 178.595 176.300 -0.099 0.000 1.137 -26 R CA 2.481 58.568 56.100 -0.022 0.000 0.943 -26 R CB -0.659 29.600 30.300 -0.069 0.000 0.850 -26 R HN 0.554 nan 8.270 nan 0.000 0.433 -25 T N 0.690 115.129 114.554 -0.192 0.000 2.684 -25 T HA -0.161 4.191 4.350 0.003 0.000 0.267 -25 T C 1.909 176.558 174.700 -0.085 0.000 1.036 -25 T CA 1.530 63.526 62.100 -0.174 0.000 1.148 -25 T CB -0.450 68.302 68.868 -0.194 0.000 0.863 -25 T HN 0.499 nan 8.240 nan 0.000 0.436 -24 A N 0.986 123.772 122.820 -0.056 0.000 1.877 -24 A HA -0.041 4.281 4.320 0.003 0.000 0.216 -24 A C 2.640 180.219 177.584 -0.010 0.000 1.186 -24 A CA 1.456 53.478 52.037 -0.026 0.000 0.620 -24 A CB -1.092 17.899 19.000 -0.014 0.000 0.822 -24 A HN 0.345 nan 8.150 nan 0.000 0.443 -23 V N 0.314 120.235 119.914 0.012 0.000 2.261 -23 V HA -0.282 3.840 4.120 0.003 0.000 0.246 -23 V C 2.450 178.547 176.094 0.004 0.000 1.047 -23 V CA 2.113 64.433 62.300 0.032 0.000 1.015 -23 V CB -0.704 31.173 31.823 0.089 0.000 0.642 -23 V HN 0.576 nan 8.190 nan 0.000 0.446 -22 I N 0.491 121.054 120.570 -0.013 0.000 2.163 -22 I HA -0.255 3.917 4.170 0.003 0.000 0.243 -22 I C 2.388 178.483 176.117 -0.036 0.000 1.085 -22 I CA 1.625 62.907 61.300 -0.030 0.000 1.347 -22 I CB -0.588 37.383 38.000 -0.047 0.000 1.044 -22 I HN 0.374 nan 8.210 nan 0.000 0.408 -21 N N 1.244 119.920 118.700 -0.040 0.000 2.069 -21 N HA -0.153 4.589 4.740 0.003 0.000 0.191 -21 N C 1.896 177.387 175.510 -0.031 0.000 1.031 -21 N CA 1.748 54.775 53.050 -0.039 0.000 0.852 -21 N CB -0.534 37.928 38.487 -0.041 0.000 1.018 -21 N HN 0.373 nan 8.380 nan 0.000 0.423 -20 A N 0.849 123.655 122.820 -0.024 0.000 1.902 -20 A HA 0.040 4.362 4.320 0.003 0.000 0.217 -20 A C 2.342 179.912 177.584 -0.024 0.000 1.181 -20 A CA 1.949 53.974 52.037 -0.020 0.000 0.623 -20 A CB -0.966 18.026 19.000 -0.014 0.000 0.818 -20 A HN 0.315 nan 8.150 nan 0.000 0.443 -19 A N 0.181 122.987 122.820 -0.024 0.000 1.940 -19 A HA -0.112 4.210 4.320 0.003 0.000 0.219 -19 A C 2.336 179.899 177.584 -0.036 0.000 1.176 -19 A CA 2.353 54.371 52.037 -0.031 0.000 0.631 -19 A CB -0.779 18.202 19.000 -0.032 0.000 0.814 -19 A HN 1.121 nan 8.150 nan 0.000 0.446 -18 S N -2.226 113.452 115.700 -0.035 0.000 2.577 -18 S HA 0.407 4.879 4.470 0.003 0.000 0.219 -18 S C 1.311 175.891 174.600 -0.034 0.000 0.962 -18 S CA 1.009 59.187 58.200 -0.037 0.000 0.921 -18 S CB -0.212 62.965 63.200 -0.039 0.000 0.789 -18 S HN 1.950 nan 8.310 nan 0.000 0.497 -17 G N 1.811 110.592 108.800 -0.032 0.000 2.168 -17 G HA2 -0.342 3.620 3.960 0.003 0.000 0.263 -17 G HA3 -0.342 3.620 3.960 0.003 0.000 0.263 -17 G C 0.922 175.805 174.900 -0.028 0.000 0.977 -17 G CA 0.499 45.581 45.100 -0.029 0.000 0.659 -17 G HN 0.539 nan 8.290 nan 0.000 0.533 -16 R N -0.442 120.040 120.500 -0.030 0.000 2.115 -16 R HA 0.076 4.418 4.340 0.003 0.000 0.230 -16 R C 1.260 177.542 176.300 -0.029 0.000 1.111 -16 R CA 1.567 57.648 56.100 -0.031 0.000 0.976 -16 R CB 0.028 30.306 30.300 -0.037 0.000 0.870 -16 R HN 0.622 nan 8.270 nan 0.000 0.445 -15 Q N -1.061 118.723 119.800 -0.027 0.000 2.456 -15 Q HA 0.202 4.544 4.340 0.003 0.000 0.284 -15 Q C -0.893 175.096 176.000 -0.018 0.000 1.061 -15 Q CA -0.715 55.075 55.803 -0.022 0.000 0.799 -15 Q CB 2.395 31.119 28.738 -0.023 0.000 1.445 -15 Q HN 0.079 nan 8.270 nan 0.000 0.411 -14 T N -2.390 112.156 114.554 -0.014 0.000 2.813 -14 T HA 0.124 4.476 4.350 0.003 0.000 0.297 -14 T C 1.359 176.054 174.700 -0.009 0.000 1.036 -14 T CA -0.623 61.470 62.100 -0.011 0.000 1.044 -14 T CB 0.489 69.353 68.868 -0.007 0.000 0.993 -14 T HN 0.337 nan 8.240 nan 0.000 0.535 -13 V N 1.278 121.188 119.914 -0.006 0.000 2.324 -13 V HA -0.198 3.924 4.120 0.003 0.000 0.250 -13 V C 2.535 178.628 176.094 -0.002 0.000 1.060 -13 V CA 2.249 64.546 62.300 -0.004 0.000 1.042 -13 V CB -0.957 30.865 31.823 -0.001 0.000 0.650 -13 V HN 0.868 nan 8.190 nan 0.000 0.450 -12 D N -0.216 120.184 120.400 0.000 0.000 2.116 -12 D HA -0.178 4.464 4.640 0.003 0.000 0.193 -12 D C 2.282 178.582 176.300 0.001 0.000 0.998 -12 D CA 1.588 55.589 54.000 0.002 0.000 0.836 -12 D CB -0.172 40.630 40.800 0.004 0.000 0.951 -12 D HN 0.575 nan 8.370 nan 0.000 0.449 -11 E N 0.158 120.356 120.200 -0.002 0.000 2.046 -11 E HA -0.050 4.302 4.350 0.003 0.000 0.190 -11 E C 2.131 178.728 176.600 -0.005 0.000 0.982 -11 E CA 0.815 57.213 56.400 -0.003 0.000 0.800 -11 E CB -0.053 29.642 29.700 -0.008 0.000 0.756 -11 E HN 0.183 nan 8.360 nan 0.000 0.449 -10 A N 1.149 123.964 122.820 -0.008 0.000 1.883 -10 A HA -0.195 4.127 4.320 0.003 0.000 0.217 -10 A C 2.165 179.747 177.584 -0.004 0.000 1.186 -10 A CA 1.325 53.356 52.037 -0.010 0.000 0.624 -10 A CB -0.686 18.306 19.000 -0.012 0.000 0.822 -10 A HN 0.148 nan 8.150 nan 0.000 0.444 -9 L N -1.289 119.933 121.223 -0.001 0.000 2.240 -9 L HA -0.083 4.259 4.340 0.003 0.000 0.211 -9 L C 2.485 179.359 176.870 0.006 0.000 1.106 -9 L CA 1.421 56.262 54.840 0.002 0.000 0.793 -9 L CB -0.275 41.784 42.059 -0.001 0.000 0.927 -9 L HN 0.346 nan 8.230 nan 0.000 0.446 -8 K N 0.562 120.966 120.400 0.007 0.000 2.057 -8 K HA -0.186 4.136 4.320 0.003 0.000 0.207 -8 K C 1.645 178.257 176.600 0.020 0.000 1.049 -8 K CA 1.576 57.871 56.287 0.013 0.000 0.931 -8 K CB -0.144 32.363 32.500 0.012 0.000 0.714 -8 K HN 0.133 nan 8.250 nan 0.000 0.440 -7 D N -0.051 120.359 120.400 0.017 0.000 2.178 -7 D HA -0.096 4.546 4.640 0.003 0.000 0.201 -7 D C 1.662 177.982 176.300 0.034 0.000 0.980 -7 D CA 1.307 55.323 54.000 0.026 0.000 0.842 -7 D CB -0.161 40.650 40.800 0.018 0.000 0.948 -7 D HN 0.364 nan 8.370 nan 0.000 0.472 -6 A N 0.597 123.429 122.820 0.019 0.000 1.873 -6 A HA -0.206 4.116 4.320 0.003 0.000 0.215 -6 A C 2.132 179.736 177.584 0.034 0.000 1.186 -6 A CA 1.422 53.467 52.037 0.014 0.000 0.616 -6 A CB -0.563 18.427 19.000 -0.017 0.000 0.823 -6 A HN 0.052 nan 8.150 nan 0.000 0.442 -5 Q N 0.315 120.135 119.800 0.032 0.000 2.012 -5 Q HA -0.210 4.132 4.340 0.003 0.000 0.211 -5 Q C 2.135 178.173 176.000 0.064 0.000 1.009 -5 Q CA 3.208 59.038 55.803 0.045 0.000 0.866 -5 Q CB -1.052 27.706 28.738 0.032 0.000 0.945 -5 Q HN 0.725 nan 8.270 nan 0.000 0.414 -4 T N -2.765 111.824 114.554 0.058 0.000 3.160 -4 T HA 0.036 4.388 4.350 0.003 0.000 0.257 -4 T C 0.618 175.364 174.700 0.077 0.000 1.147 -4 T CA 0.673 62.812 62.100 0.065 0.000 1.064 -4 T CB -0.219 68.681 68.868 0.054 0.000 0.949 -4 T HN 0.493 nan 8.240 nan 0.000 0.526 -3 N N 0.197 118.947 118.700 0.084 0.000 2.776 -3 N HA -0.207 4.535 4.740 0.003 0.000 0.249 -3 N C 0.830 176.404 175.510 0.108 0.000 1.111 -3 N CA 0.762 53.873 53.050 0.102 0.000 0.711 -3 N CB -1.444 37.108 38.487 0.108 0.000 1.065 -3 N HN 0.627 nan 8.380 nan 0.000 0.556 -2 A N -0.246 122.635 122.820 0.102 0.000 1.898 -2 A HA 0.245 4.567 4.320 0.003 0.000 0.216 -2 A C 2.454 180.134 177.584 0.159 0.000 1.181 -2 A CA 2.225 54.329 52.037 0.112 0.000 0.620 -2 A CB -1.021 18.026 19.000 0.078 0.000 0.819 -2 A HN 0.812 nan 8.150 nan 0.000 0.442 -1 A N 0.122 123.044 122.820 0.170 0.000 1.859 -1 A HA 0.053 4.375 4.320 0.003 0.000 0.217 -1 A C 2.503 180.297 177.584 0.350 0.000 1.198 -1 A CA 2.528 54.724 52.037 0.265 0.000 0.629 -1 A CB -1.202 17.956 19.000 0.263 0.000 0.830 -1 A HN 1.192 nan 8.150 nan 0.000 0.446 0 A N -0.974 122.004 122.820 0.263 0.000 2.121 0 A HA -0.082 4.240 4.320 0.003 0.000 0.218 0 A C 1.859 179.445 177.584 0.004 0.000 1.154 0 A CA 1.509 53.523 52.037 -0.039 0.000 0.679 0 A CB -0.413 18.509 19.000 -0.131 0.000 0.795 0 A HN 0.677 nan 8.150 nan 0.000 0.458 1 E N -1.807 118.448 120.200 0.092 0.000 2.230 1 E HA -0.019 4.333 4.350 0.003 0.000 0.192 1 E C 1.529 178.189 176.600 0.100 0.000 0.987 1 E CA 0.530 56.976 56.400 0.076 0.000 0.841 1 E CB -0.107 29.644 29.700 0.084 0.000 0.783 1 E HN 0.740 nan 8.360 nan 0.000 0.481 2 F N 1.300 121.268 119.950 0.030 0.000 2.163 2 F HA -0.045 4.484 4.527 0.004 0.000 0.297 2 F C 2.176 177.991 175.800 0.025 0.000 1.094 2 F CA 1.194 59.208 58.000 0.024 0.000 1.290 2 F CB -0.056 38.965 39.000 0.034 0.000 1.017 2 F HN -0.059 nan 8.300 nan 0.000 0.483 3 A N 0.408 123.358 122.820 0.217 0.000 1.940 3 A HA -0.109 4.213 4.320 0.003 0.000 0.219 3 A C 2.298 179.885 177.584 0.005 0.000 1.176 3 A CA 1.691 53.796 52.037 0.114 0.000 0.631 3 A CB -1.468 17.555 19.000 0.039 0.000 0.814 3 A HN 0.475 nan 8.150 nan 0.000 0.446 4 A N -1.182 121.625 122.820 -0.022 0.000 2.066 4 A HA 0.174 4.496 4.320 0.003 0.000 0.218 4 A C 2.014 179.580 177.584 -0.029 0.000 1.157 4 A CA 1.383 53.418 52.037 -0.005 0.000 0.670 4 A CB -0.375 18.615 19.000 -0.016 0.000 0.804 4 A HN 0.506 nan 8.150 nan 0.000 0.453 5 L N -0.801 120.345 121.223 -0.128 0.000 2.034 5 L HA 0.005 4.347 4.340 0.003 0.000 0.203 5 L C 2.230 178.966 176.870 -0.224 0.000 1.074 5 L CA 1.850 56.568 54.840 -0.204 0.000 0.748 5 L CB -0.659 41.197 42.059 -0.338 0.000 0.905 5 L HN 0.345 nan 8.230 nan 0.000 0.439 6 L N -0.933 120.097 121.223 -0.322 0.000 2.079 6 L HA -0.254 4.088 4.340 0.003 0.000 0.210 6 L C 2.538 179.376 176.870 -0.052 0.000 1.081 6 L CA 2.129 56.836 54.840 -0.222 0.000 0.752 6 L CB -0.869 41.051 42.059 -0.231 0.000 0.896 6 L HN 0.534 nan 8.230 nan 0.000 0.433 7 H N -0.718 118.296 119.070 -0.092 0.000 2.357 7 H HA -0.100 4.458 4.556 0.003 0.000 0.301 7 H C 2.341 177.637 175.328 -0.055 0.000 1.082 7 H CA 1.731 57.751 56.048 -0.046 0.000 1.342 7 H CB -0.146 29.596 29.762 -0.032 0.000 1.389 7 H HN 0.590 nan 8.280 nan 0.000 0.511 8 S N -0.363 115.268 115.700 -0.116 0.000 2.453 8 S HA -0.045 4.427 4.470 0.003 0.000 0.231 8 S C 2.220 176.726 174.600 -0.155 0.000 1.005 8 S CA 0.757 58.861 58.200 -0.160 0.000 0.949 8 S CB -0.362 62.793 63.200 -0.075 0.000 0.774 8 S HN 0.384 nan 8.310 nan 0.000 0.510 9 L N 0.762 121.902 121.223 -0.138 0.000 2.027 9 L HA -0.014 4.328 4.340 0.003 0.000 0.206 9 L C 2.570 179.364 176.870 -0.126 0.000 1.074 9 L CA 1.148 55.917 54.840 -0.120 0.000 0.745 9 L CB -0.670 41.321 42.059 -0.114 0.000 0.898 9 L HN 0.316 nan 8.230 nan 0.000 0.433 10 L N -0.555 120.580 121.223 -0.146 0.000 1.994 10 L HA -0.214 4.128 4.340 0.003 0.000 0.208 10 L C 2.597 179.359 176.870 -0.180 0.000 1.071 10 L CA 1.405 56.158 54.840 -0.145 0.000 0.745 10 L CB -0.753 41.234 42.059 -0.120 0.000 0.892 10 L HN 0.290 nan 8.230 nan 0.000 0.431 11 E N 0.544 120.577 120.200 -0.279 0.000 2.049 11 E HA -0.294 4.058 4.350 0.003 0.000 0.198 11 E C 2.291 178.809 176.600 -0.137 0.000 1.007 11 E CA 1.468 57.730 56.400 -0.232 0.000 0.809 11 E CB -0.282 29.241 29.700 -0.295 0.000 0.749 11 E HN 0.527 nan 8.360 nan 0.000 0.450 12 A N 1.469 124.215 122.820 -0.124 0.000 1.948 12 A HA -0.275 4.047 4.320 0.003 0.000 0.220 12 A C 1.940 179.480 177.584 -0.073 0.000 1.177 12 A CA 2.086 54.072 52.037 -0.085 0.000 0.636 12 A CB -0.725 18.228 19.000 -0.078 0.000 0.815 12 A HN 0.230 nan 8.150 nan 0.000 0.449 13 N N -1.540 117.111 118.700 -0.081 0.000 2.300 13 N HA -0.104 4.638 4.740 0.003 0.000 0.179 13 N C 1.535 177.007 175.510 -0.063 0.000 1.016 13 N CA 1.345 54.353 53.050 -0.069 0.000 0.876 13 N CB -0.369 38.073 38.487 -0.074 0.000 0.979 13 N HN 0.434 nan 8.380 nan 0.000 0.432 14 c N -0.809 117.748 118.600 -0.072 0.000 2.467 14 c HA 0.211 4.783 4.570 0.003 0.000 0.279 14 c C 2.598 176.667 174.090 -0.035 0.000 1.347 14 c CA 0.499 56.792 56.329 -0.058 0.000 1.748 14 c CB -1.318 41.149 42.510 -0.071 0.000 1.977 14 c HN 0.430 nan 8.230 nan 0.000 0.501 15 S N 0.649 116.325 115.700 -0.040 0.000 2.402 15 S HA -0.067 4.405 4.470 0.003 0.000 0.229 15 S C 1.593 176.182 174.600 -0.018 0.000 1.021 15 S CA 1.102 59.288 58.200 -0.023 0.000 0.974 15 S CB -0.259 62.923 63.200 -0.029 0.000 0.800 15 S HN 0.619 nan 8.310 nan 0.000 0.484 16 L N 0.706 121.913 121.223 -0.027 0.000 2.179 16 L HA 0.014 4.356 4.340 0.003 0.000 0.208 16 L C 2.527 179.387 176.870 -0.017 0.000 1.096 16 L CA 0.934 55.759 54.840 -0.025 0.000 0.779 16 L CB -0.414 41.626 42.059 -0.032 0.000 0.922 16 L HN 0.311 nan 8.230 nan 0.000 0.443 17 A N -0.496 122.314 122.820 -0.017 0.000 1.897 17 A HA -0.191 4.131 4.320 0.003 0.000 0.215 17 A C 2.124 179.711 177.584 0.006 0.000 1.181 17 A CA 1.384 53.415 52.037 -0.009 0.000 0.620 17 A CB -0.630 18.362 19.000 -0.014 0.000 0.821 17 A HN 0.314 nan 8.150 nan 0.000 0.443 18 L N -0.071 121.160 121.223 0.013 0.000 2.046 18 L HA -0.054 4.288 4.340 0.003 0.000 0.208 18 L C 2.622 179.508 176.870 0.027 0.000 1.077 18 L CA 2.091 56.948 54.840 0.028 0.000 0.747 18 L CB -0.903 41.178 42.059 0.036 0.000 0.896 18 L HN 0.349 nan 8.230 nan 0.000 0.432 19 A N -0.569 122.261 122.820 0.016 0.000 1.865 19 A HA -0.273 4.049 4.320 0.003 0.000 0.217 19 A C 2.165 179.763 177.584 0.023 0.000 1.191 19 A CA 2.023 54.069 52.037 0.016 0.000 0.623 19 A CB -0.780 18.217 19.000 -0.005 0.000 0.826 19 A HN 0.595 nan 8.150 nan 0.000 0.444 20 E N -0.730 119.476 120.200 0.011 0.000 2.038 20 E HA -0.241 4.111 4.350 0.003 0.000 0.195 20 E C 2.103 178.716 176.600 0.022 0.000 1.000 20 E CA 1.581 57.988 56.400 0.011 0.000 0.803 20 E CB -0.189 29.511 29.700 -0.001 0.000 0.750 20 E HN 0.740 nan 8.360 nan 0.000 0.448 21 E N 0.455 120.661 120.200 0.010 0.000 2.058 21 E HA -0.199 4.153 4.350 0.003 0.000 0.194 21 E C 2.060 178.662 176.600 0.003 0.000 0.997 21 E CA 0.981 57.373 56.400 -0.012 0.000 0.801 21 E CB -0.032 29.653 29.700 -0.026 0.000 0.746 21 E HN 0.163 nan 8.360 nan 0.000 0.450 22 L N 0.514 121.765 121.223 0.048 0.000 2.046 22 L HA -0.187 4.155 4.340 0.003 0.000 0.208 22 L C 2.492 179.504 176.870 0.237 0.000 1.077 22 L CA 0.690 55.595 54.840 0.108 0.000 0.747 22 L CB -0.446 41.701 42.059 0.147 0.000 0.896 22 L HN 0.311 nan 8.230 nan 0.000 0.432 23 L N 0.010 121.371 121.223 0.229 0.000 2.012 23 L HA -0.250 4.092 4.340 0.003 0.000 0.210 23 L C 2.510 179.585 176.870 0.343 0.000 1.073 23 L CA 1.948 56.977 54.840 0.314 0.000 0.748 23 L CB -0.343 41.770 42.059 0.091 0.000 0.891 23 L HN 0.273 nan 8.230 nan 0.000 0.431 24 L N 0.096 121.410 121.223 0.152 0.000 1.970 24 L HA -0.278 4.064 4.340 0.003 0.000 0.212 24 L C 2.472 179.361 176.870 0.032 0.000 1.071 24 L CA 2.089 56.978 54.840 0.083 0.000 0.751 24 L CB -0.946 41.125 42.059 0.020 0.000 0.889 24 L HN 0.409 nan 8.230 nan 0.000 0.432 25 D N -0.329 120.055 120.400 -0.026 0.000 2.384 25 D HA -0.123 4.519 4.640 0.003 0.000 0.222 25 D C 1.604 177.768 176.300 -0.225 0.000 0.976 25 D CA 1.244 55.172 54.000 -0.121 0.000 0.915 25 D CB 0.345 41.053 40.800 -0.153 0.000 0.896 25 D HN 0.392 nan 8.370 nan 0.000 0.523 26 G N -0.764 107.864 108.800 -0.286 0.000 2.828 26 G HA2 -0.033 3.929 3.960 0.003 0.000 0.201 26 G HA3 -0.033 3.929 3.960 0.003 0.000 0.201 26 G C 1.176 175.551 174.900 -0.875 0.000 1.102 26 G CA -0.202 44.368 45.100 -0.883 0.000 0.815 26 G HN 0.281 nan 8.290 nan 0.000 0.590 27 W N 1.553 122.833 121.300 -0.033 0.000 2.870 27 W HA 0.387 5.049 4.660 0.003 0.000 0.358 27 W C 1.011 177.515 176.519 -0.025 0.000 1.043 27 W CA -0.700 56.629 57.345 -0.026 0.000 1.692 27 W CB 0.319 29.766 29.460 -0.021 0.000 1.100 27 W HN 0.194 nan 8.180 nan 0.000 0.557 28 G N 2.319 111.203 108.800 0.139 0.000 2.599 28 G HA2 0.349 4.311 3.960 0.003 0.000 0.264 28 G HA3 0.349 4.311 3.960 0.003 0.000 0.264 28 G C -2.115 172.799 174.900 0.023 0.000 1.200 28 G CA -0.593 44.550 45.100 0.071 0.000 0.896 28 G HN -0.292 nan 8.290 nan 0.000 0.536 29 P HA 0.192 nan 4.420 nan 0.000 0.269 29 P C -2.347 174.941 177.300 -0.021 0.000 1.215 29 P CA -0.969 62.130 63.100 -0.001 0.000 0.780 29 P CB -0.264 31.438 31.700 0.004 0.000 0.898 30 P HA 0.035 nan 4.420 nan 0.000 0.260 30 P C 0.238 177.519 177.300 -0.031 0.000 1.185 30 P CA -0.003 63.072 63.100 -0.042 0.000 0.763 30 P CB 0.217 31.896 31.700 -0.036 0.000 0.776 31 L N 3.722 124.923 121.223 -0.036 0.000 2.394 31 L HA 0.020 4.362 4.340 0.003 0.000 0.229 31 L C 0.234 177.099 176.870 -0.008 0.000 1.225 31 L CA 0.248 55.078 54.840 -0.017 0.000 0.829 31 L CB -0.303 41.750 42.059 -0.010 0.000 1.195 31 L HN 0.340 nan 8.230 nan 0.000 0.548 32 D N 1.549 121.952 120.400 0.005 0.000 2.586 32 D HA -0.013 4.629 4.640 0.003 0.000 0.234 32 D C -1.855 174.445 176.300 0.000 0.000 1.132 32 D CA -0.111 53.892 54.000 0.005 0.000 0.860 32 D CB 0.060 40.868 40.800 0.012 0.000 1.159 32 D HN 0.386 nan 8.370 nan 0.000 0.490 33 P HA -0.105 nan 4.420 nan 0.000 0.249 33 P C -0.497 176.804 177.300 0.001 0.000 1.227 33 P CA 0.897 63.995 63.100 -0.003 0.000 0.753 33 P CB -0.124 31.574 31.700 -0.004 0.000 0.966 34 E N -2.196 118.006 120.200 0.003 0.000 4.176 34 E HA 0.428 4.780 4.350 0.003 0.000 0.222 34 E C 0.197 176.798 176.600 0.003 0.000 1.142 34 E CA -0.637 55.764 56.400 0.001 0.000 1.400 34 E CB 0.106 29.805 29.700 -0.001 0.000 1.206 34 E HN -0.045 nan 8.360 nan 0.000 0.413 35 G N 1.414 110.220 108.800 0.010 0.000 3.008 35 G HA2 0.788 4.750 3.960 0.003 0.000 0.181 35 G HA3 0.788 4.750 3.960 0.003 0.000 0.181 35 G C -2.556 172.332 174.900 -0.020 0.000 1.309 35 G CA -1.211 43.896 45.100 0.012 0.000 1.009 35 G HN 0.206 nan 8.290 nan 0.000 0.584 36 P HA 0.364 nan 4.420 nan 0.000 0.302 36 P C -0.844 176.380 177.300 -0.127 0.000 1.364 36 P CA -0.801 62.210 63.100 -0.149 0.000 1.045 36 P CB 2.450 33.976 31.700 -0.290 0.000 1.368 37 Y N 0.824 121.040 120.300 -0.140 0.000 2.561 37 Y HA 0.010 4.562 4.550 0.003 0.000 0.291 37 Y C 0.208 176.070 175.900 -0.063 0.000 1.141 37 Y CA 0.386 58.458 58.100 -0.046 0.000 1.303 37 Y CB 0.552 38.987 38.460 -0.043 0.000 1.015 37 Y HN 0.254 nan 8.280 nan 0.000 0.547 38 S N 0.078 115.737 115.700 -0.068 0.000 2.532 38 S HA 0.393 4.865 4.470 0.003 0.000 0.256 38 S C -1.324 173.069 174.600 -0.345 0.000 1.298 38 S CA -0.627 57.508 58.200 -0.109 0.000 1.166 38 S CB -0.229 62.897 63.200 -0.122 0.000 1.022 38 S HN 0.169 nan 8.310 nan 0.000 0.480 39 Y N 0.066 120.348 120.300 -0.031 0.000 2.567 39 Y HA 0.538 5.090 4.550 0.003 0.000 0.333 39 Y C 0.506 176.314 175.900 -0.153 0.000 1.106 39 Y CA -1.218 56.828 58.100 -0.089 0.000 1.157 39 Y CB 1.133 39.568 38.460 -0.041 0.000 1.277 39 Y HN 0.558 nan 8.280 nan 0.000 0.490 40 c N 2.014 120.534 118.600 -0.133 0.000 2.388 40 c HA 0.341 4.913 4.570 0.003 0.000 0.362 40 c C 0.141 174.271 174.090 0.067 0.000 1.266 40 c CA -1.088 55.025 56.329 -0.361 0.000 2.028 40 c CB -0.740 40.888 42.510 -1.471 0.000 2.440 40 c HN 0.782 nan 8.230 nan 0.000 0.547 41 N N 0.602 119.457 118.700 0.259 0.000 2.493 41 N HA 0.283 5.025 4.740 0.003 0.000 0.275 41 N C -0.188 175.606 175.510 0.473 0.000 1.186 41 N CA -0.067 53.163 53.050 0.300 0.000 0.978 41 N CB 0.472 39.082 38.487 0.205 0.000 1.184 41 N HN 0.623 nan 8.380 nan 0.000 0.487 42 T N 1.570 116.303 114.554 0.299 0.000 2.819 42 T HA 0.004 4.356 4.350 0.003 0.000 0.282 42 T C -0.163 174.640 174.700 0.171 0.000 1.013 42 T CA 0.635 62.870 62.100 0.225 0.000 1.159 42 T CB -0.239 68.699 68.868 0.118 0.000 1.007 42 T HN 0.343 nan 8.240 nan 0.000 0.514 43 T N 3.059 117.671 114.554 0.097 0.000 2.894 43 T HA 0.544 4.896 4.350 0.003 0.000 0.309 43 T C -1.343 173.345 174.700 -0.021 0.000 1.208 43 T CA -0.694 61.414 62.100 0.013 0.000 1.016 43 T CB 1.627 70.440 68.868 -0.093 0.000 1.192 43 T HN 0.432 nan 8.240 nan 0.000 0.491 44 L N 4.035 125.252 121.223 -0.010 0.000 2.342 44 L HA 0.550 4.892 4.340 0.003 0.000 0.276 44 L C -0.335 176.556 176.870 0.035 0.000 0.997 44 L CA -0.525 54.303 54.840 -0.021 0.000 0.838 44 L CB 0.852 42.886 42.059 -0.040 0.000 1.224 44 L HN 0.729 nan 8.230 nan 0.000 0.416 45 D N 2.156 122.602 120.400 0.077 0.000 2.414 45 D HA 0.057 4.699 4.640 0.003 0.000 0.251 45 D C 0.466 176.817 176.300 0.084 0.000 1.252 45 D CA -0.130 53.943 54.000 0.120 0.000 0.999 45 D CB 0.623 41.587 40.800 0.273 0.000 1.093 45 D HN 0.577 nan 8.370 nan 0.000 0.515 46 Q N -0.693 119.146 119.800 0.065 0.000 2.500 46 Q HA 0.166 4.508 4.340 0.003 0.000 0.213 46 Q C 1.255 177.275 176.000 0.033 0.000 0.974 46 Q CA 0.792 56.626 55.803 0.051 0.000 0.918 46 Q CB -0.262 28.490 28.738 0.024 0.000 0.980 46 Q HN 0.524 nan 8.270 nan 0.000 0.505 47 I N -1.309 119.223 120.570 -0.065 0.000 3.860 47 I HA 0.183 4.355 4.170 0.003 0.000 0.319 47 I C 1.070 177.165 176.117 -0.036 0.000 1.279 47 I CA 0.513 61.671 61.300 -0.236 0.000 1.220 47 I CB 0.383 37.910 38.000 -0.789 0.000 1.027 47 I HN 0.405 nan 8.210 nan 0.000 0.428 48 G N 0.934 109.752 108.800 0.030 0.000 2.213 48 G HA2 -0.224 3.738 3.960 0.003 0.000 0.226 48 G HA3 -0.224 3.738 3.960 0.003 0.000 0.226 48 G C 0.460 175.313 174.900 -0.078 0.000 0.992 48 G CA 0.061 45.184 45.100 0.038 0.000 0.632 48 G HN 0.271 nan 8.290 nan 0.000 0.511 49 T N 0.963 115.426 114.554 -0.151 0.000 2.902 49 T HA 0.357 4.709 4.350 0.003 0.000 0.301 49 T C 0.539 174.952 174.700 -0.478 0.000 1.012 49 T CA 0.657 62.530 62.100 -0.378 0.000 1.151 49 T CB 1.628 70.148 68.868 -0.579 0.000 0.946 49 T HN 0.860 nan 8.240 nan 0.000 0.542 50 c N 6.337 124.656 118.600 -0.470 0.000 2.265 50 c HA 0.509 5.081 4.570 0.003 0.000 0.332 50 c C -0.340 173.455 174.090 -0.490 0.000 1.248 50 c CA -1.351 54.767 56.329 -0.352 0.000 1.727 50 c CB -1.438 40.954 42.510 -0.198 0.000 2.348 50 c HN 0.914 nan 8.230 nan 0.000 0.519 51 W N 8.285 129.437 121.300 -0.246 0.000 2.345 51 W HA 0.361 5.023 4.660 0.003 0.000 0.308 51 W C -1.782 174.687 176.519 -0.084 0.000 1.273 51 W CA -2.101 55.054 57.345 -0.317 0.000 1.243 51 W CB 0.436 29.360 29.460 -0.894 0.000 1.260 51 W HN 0.585 nan 8.180 nan 0.000 0.509 52 P HA 0.152 nan 4.420 nan 0.000 0.278 52 P C -0.451 177.089 177.300 0.400 0.000 1.258 52 P CA -0.729 62.516 63.100 0.241 0.000 0.811 52 P CB 0.768 32.561 31.700 0.155 0.000 1.063 53 R N 0.785 121.438 120.500 0.255 0.000 2.484 53 R HA 0.280 4.622 4.340 0.003 0.000 0.293 53 R C -0.374 176.055 176.300 0.215 0.000 1.023 53 R CA 0.734 56.968 56.100 0.223 0.000 1.037 53 R CB -0.131 30.181 30.300 0.020 0.000 0.951 53 R HN 0.475 nan 8.270 nan 0.000 0.418 54 S N 1.692 117.538 115.700 0.242 0.000 2.569 54 S HA 0.543 5.015 4.470 0.003 0.000 0.280 54 S C -1.031 173.704 174.600 0.224 0.000 1.111 54 S CA -0.751 57.575 58.200 0.211 0.000 0.887 54 S CB 2.007 65.283 63.200 0.126 0.000 1.095 54 S HN 0.781 nan 8.310 nan 0.000 0.476 55 A N 1.452 124.373 122.820 0.168 0.000 2.445 55 A HA 0.658 4.980 4.320 0.003 0.000 0.242 55 A C 0.560 178.028 177.584 -0.195 0.000 1.075 55 A CA -0.150 51.810 52.037 -0.128 0.000 0.777 55 A CB -0.234 18.702 19.000 -0.107 0.000 1.013 55 A HN 1.175 nan 8.150 nan 0.000 0.493 56 A N 1.016 123.678 122.820 -0.264 0.000 2.520 56 A HA 0.485 4.807 4.320 0.003 0.000 0.245 56 A C 1.602 179.088 177.584 -0.164 0.000 1.072 56 A CA 0.834 52.736 52.037 -0.225 0.000 0.761 56 A CB -0.717 18.157 19.000 -0.210 0.000 1.004 56 A HN 2.735 nan 8.150 nan 0.000 0.499 57 G N 1.004 109.715 108.800 -0.147 0.000 2.258 57 G HA2 0.139 4.101 3.960 0.003 0.000 0.233 57 G HA3 0.139 4.101 3.960 0.003 0.000 0.233 57 G C 0.681 175.535 174.900 -0.077 0.000 1.006 57 G CA 0.345 45.385 45.100 -0.101 0.000 0.620 57 G HN 2.240 nan 8.290 nan 0.000 0.511 58 A N 0.232 123.002 122.820 -0.084 0.000 2.477 58 A HA 0.629 4.951 4.320 0.003 0.000 0.246 58 A C 0.178 177.760 177.584 -0.004 0.000 1.078 58 A CA 0.556 52.576 52.037 -0.028 0.000 0.770 58 A CB 0.656 19.653 19.000 -0.005 0.000 1.011 58 A HN 1.437 nan 8.150 nan 0.000 0.494 59 L N 3.949 125.196 121.223 0.040 0.000 2.264 59 L HA 0.549 4.891 4.340 0.003 0.000 0.289 59 L C -0.670 176.291 176.870 0.153 0.000 1.044 59 L CA -0.087 54.802 54.840 0.082 0.000 0.807 59 L CB 1.419 43.522 42.059 0.072 0.000 1.192 59 L HN 0.430 nan 8.230 nan 0.000 0.425 60 V N 4.563 124.597 119.914 0.200 0.000 2.417 60 V HA 0.434 4.556 4.120 0.003 0.000 0.291 60 V C -0.248 176.030 176.094 0.307 0.000 1.024 60 V CA -0.790 61.676 62.300 0.278 0.000 0.861 60 V CB 1.560 33.644 31.823 0.434 0.000 0.985 60 V HN 0.697 nan 8.190 nan 0.000 0.436 61 E N 4.634 124.957 120.200 0.203 0.000 2.197 61 E HA 0.617 4.969 4.350 0.003 0.000 0.281 61 E C -0.735 175.861 176.600 -0.006 0.000 0.995 61 E CA -0.784 55.609 56.400 -0.012 0.000 0.808 61 E CB 1.773 31.426 29.700 -0.078 0.000 1.093 61 E HN 0.402 nan 8.360 nan 0.000 0.394 62 R N 2.423 122.821 120.500 -0.170 0.000 2.771 62 R HA 0.442 4.784 4.340 0.003 0.000 0.274 62 R C -2.720 173.381 176.300 -0.331 0.000 0.987 62 R CA -2.358 53.544 56.100 -0.331 0.000 0.908 62 R CB 1.650 31.514 30.300 -0.726 0.000 1.213 62 R HN 0.355 nan 8.270 nan 0.000 0.468 63 P HA 0.199 nan 4.420 nan 0.000 0.275 63 P C -0.250 176.947 177.300 -0.171 0.000 1.228 63 P CA -0.457 62.538 63.100 -0.175 0.000 0.786 63 P CB 0.494 32.129 31.700 -0.108 0.000 0.927 64 c N 5.084 123.619 118.600 -0.108 0.000 2.634 64 c HA 0.085 4.657 4.570 0.003 0.000 0.417 64 c C -1.568 172.507 174.090 -0.025 0.000 1.334 64 c CA -0.541 55.756 56.329 -0.055 0.000 1.829 64 c CB -1.276 41.227 42.510 -0.011 0.000 2.665 64 c HN 0.549 nan 8.230 nan 0.000 0.614 65 P HA -0.058 nan 4.420 nan 0.000 0.264 65 P C 0.468 177.852 177.300 0.141 0.000 1.173 65 P CA 0.706 63.818 63.100 0.019 0.000 0.761 65 P CB 0.491 32.167 31.700 -0.040 0.000 0.794 66 E N 1.537 121.841 120.200 0.174 0.000 2.158 66 E HA -0.126 4.226 4.350 0.003 0.000 0.191 66 E C -0.236 176.570 176.600 0.343 0.000 0.982 66 E CA 0.623 57.156 56.400 0.221 0.000 0.823 66 E CB 0.153 29.950 29.700 0.162 0.000 0.766 66 E HN 0.511 nan 8.360 nan 0.000 0.468 67 Y N -0.558 119.880 120.300 0.230 0.000 2.386 67 Y HA 0.406 4.958 4.550 0.003 0.000 0.334 67 Y C -1.893 174.238 175.900 0.385 0.000 1.002 67 Y CA -1.170 57.092 58.100 0.270 0.000 1.068 67 Y CB 1.231 39.805 38.460 0.190 0.000 1.203 67 Y HN -0.128 nan 8.280 nan 0.000 0.443 68 F N 6.542 126.269 119.950 -0.371 0.000 2.689 68 F HA 0.337 4.867 4.527 0.004 0.000 0.332 68 F C -0.604 174.970 175.800 -0.377 0.000 1.209 68 F CA -1.135 56.698 58.000 -0.278 0.000 1.028 68 F CB 0.898 39.867 39.000 -0.051 0.000 1.291 68 F HN 0.699 nan 8.300 nan 0.000 0.500 69 N N 4.202 122.339 118.700 -0.938 0.000 2.669 69 N HA -0.141 4.601 4.740 0.003 0.000 0.266 69 N C 0.864 176.106 175.510 -0.447 0.000 1.024 69 N CA 1.737 54.402 53.050 -0.643 0.000 0.766 69 N CB -0.825 37.222 38.487 -0.733 0.000 0.898 69 N HN 1.369 nan 8.380 nan 0.000 0.548 70 G N -2.557 105.916 108.800 -0.545 0.000 2.155 70 G HA2 -0.259 3.703 3.960 0.003 0.000 0.257 70 G HA3 -0.259 3.703 3.960 0.003 0.000 0.257 70 G C -0.050 174.713 174.900 -0.227 0.000 0.983 70 G CA 0.381 45.346 45.100 -0.225 0.000 0.676 70 G HN 0.619 nan 8.290 nan 0.000 0.528 71 V N 0.622 120.318 119.914 -0.362 0.000 2.588 71 V HA 0.545 4.667 4.120 0.003 0.000 0.304 71 V C 0.017 175.958 176.094 -0.255 0.000 1.042 71 V CA -1.279 60.862 62.300 -0.264 0.000 0.877 71 V CB 2.024 33.706 31.823 -0.235 0.000 0.996 71 V HN 0.184 nan 8.190 nan 0.000 0.425 72 K N 3.421 123.679 120.400 -0.237 0.000 2.183 72 K HA 0.560 4.882 4.320 0.003 0.000 0.274 72 K C -1.479 174.938 176.600 -0.304 0.000 1.009 72 K CA -0.359 55.863 56.287 -0.109 0.000 0.888 72 K CB 1.812 34.313 32.500 0.002 0.000 1.078 72 K HN 0.567 nan 8.250 nan 0.000 0.459 73 Y N 0.593 120.927 120.300 0.057 0.000 2.487 73 Y HA 0.132 4.685 4.550 0.004 0.000 0.337 73 Y C 0.734 176.660 175.900 0.044 0.000 1.076 73 Y CA -0.954 57.175 58.100 0.048 0.000 1.115 73 Y CB 1.215 39.706 38.460 0.052 0.000 1.235 73 Y HN 0.506 nan 8.280 nan 0.000 0.468 74 N N 1.213 120.028 118.700 0.191 0.000 2.400 74 N HA -0.040 4.702 4.740 0.003 0.000 0.267 74 N C 0.815 176.395 175.510 0.116 0.000 1.208 74 N CA 0.381 53.504 53.050 0.122 0.000 0.951 74 N CB 0.651 39.194 38.487 0.094 0.000 1.227 74 N HN 0.824 nan 8.380 nan 0.000 0.488 75 T N -1.030 113.578 114.554 0.090 0.000 3.072 75 T HA -0.135 4.217 4.350 0.003 0.000 0.266 75 T C 1.581 176.296 174.700 0.026 0.000 1.127 75 T CA 1.269 63.404 62.100 0.057 0.000 1.107 75 T CB -0.522 68.373 68.868 0.045 0.000 0.910 75 T HN 0.508 nan 8.240 nan 0.000 0.513 76 T N -0.797 113.777 114.554 0.033 0.000 3.160 76 T HA 0.195 4.547 4.350 0.003 0.000 0.257 76 T C 0.797 175.511 174.700 0.023 0.000 1.147 76 T CA -0.339 61.774 62.100 0.021 0.000 1.064 76 T CB -0.266 68.617 68.868 0.025 0.000 0.949 76 T HN 0.368 nan 8.240 nan 0.000 0.526 77 R N 1.050 121.567 120.500 0.029 0.000 2.674 77 R HA 0.595 4.937 4.340 0.003 0.000 0.266 77 R C -0.517 175.762 176.300 -0.034 0.000 1.016 77 R CA -0.871 55.246 56.100 0.029 0.000 1.062 77 R CB 0.684 31.023 30.300 0.065 0.000 1.142 77 R HN 0.227 nan 8.270 nan 0.000 0.517 78 N N -0.234 118.415 118.700 -0.085 0.000 2.335 78 N HA 0.450 5.192 4.740 0.003 0.000 0.304 78 N C -1.097 174.167 175.510 -0.410 0.000 1.135 78 N CA -0.650 52.217 53.050 -0.305 0.000 0.817 78 N CB 2.024 40.201 38.487 -0.517 0.000 1.294 78 N HN 0.597 nan 8.380 nan 0.000 0.497 79 A N 0.720 123.257 122.820 -0.472 0.000 2.264 79 A HA 0.715 5.037 4.320 0.003 0.000 0.304 79 A C -1.334 175.951 177.584 -0.499 0.000 1.100 79 A CA -0.257 51.503 52.037 -0.460 0.000 0.839 79 A CB 0.273 18.909 19.000 -0.607 0.000 1.121 79 A HN 0.609 nan 8.150 nan 0.000 0.496 80 Y N -0.367 119.931 120.300 -0.004 0.000 2.406 80 Y HA 0.685 5.237 4.550 0.003 0.000 0.340 80 Y C 0.208 175.954 175.900 -0.256 0.000 0.975 80 Y CA -0.491 57.601 58.100 -0.013 0.000 1.056 80 Y CB 2.018 40.455 38.460 -0.040 0.000 1.210 80 Y HN 0.776 nan 8.280 nan 0.000 0.448 81 R N 2.049 122.357 120.500 -0.319 0.000 2.564 81 R HA 0.302 4.644 4.340 0.003 0.000 0.284 81 R C -1.420 174.806 176.300 -0.124 0.000 1.031 81 R CA -0.675 55.109 56.100 -0.527 0.000 0.904 81 R CB 1.835 31.215 30.300 -1.534 0.000 1.199 81 R HN 0.873 nan 8.270 nan 0.000 0.443 82 E N 3.595 123.771 120.200 -0.040 0.000 2.229 82 E HA 0.098 4.450 4.350 0.003 0.000 0.283 82 E C -1.086 175.512 176.600 -0.003 0.000 1.030 82 E CA -0.416 55.984 56.400 0.001 0.000 0.836 82 E CB 1.095 30.778 29.700 -0.028 0.000 1.068 82 E HN 0.538 nan 8.360 nan 0.000 0.401 83 c N 7.557 126.061 118.600 -0.159 0.000 2.349 83 c HA 0.345 4.917 4.570 0.003 0.000 0.348 83 c C 0.372 174.302 174.090 -0.267 0.000 1.223 83 c CA -0.715 55.339 56.329 -0.459 0.000 1.746 83 c CB -1.485 40.590 42.510 -0.725 0.000 2.360 83 c HN 0.701 nan 8.230 nan 0.000 0.533 84 L N 5.469 126.560 121.223 -0.220 0.000 2.482 84 L HA 0.121 4.463 4.340 0.003 0.000 0.273 84 L C 1.659 178.439 176.870 -0.151 0.000 1.228 84 L CA 0.274 55.029 54.840 -0.143 0.000 0.827 84 L CB 0.412 42.410 42.059 -0.102 0.000 1.099 84 L HN 0.707 nan 8.230 nan 0.000 0.494 85 E N 0.741 120.873 120.200 -0.113 0.000 2.401 85 E HA -0.201 4.151 4.350 0.003 0.000 0.199 85 E C 1.118 177.652 176.600 -0.110 0.000 1.023 85 E CA 1.046 57.381 56.400 -0.109 0.000 0.859 85 E CB 0.016 29.666 29.700 -0.083 0.000 0.780 85 E HN 0.639 nan 8.360 nan 0.000 0.523 86 N N -1.070 117.565 118.700 -0.107 0.000 2.392 86 N HA 0.023 4.765 4.740 0.003 0.000 0.177 86 N C 1.132 176.577 175.510 -0.110 0.000 1.066 86 N CA 0.890 53.883 53.050 -0.096 0.000 0.895 86 N CB 0.716 39.158 38.487 -0.075 0.000 0.988 86 N HN 0.082 nan 8.380 nan 0.000 0.457 87 G N -0.917 107.796 108.800 -0.146 0.000 2.175 87 G HA2 -0.179 3.783 3.960 0.003 0.000 0.182 87 G HA3 -0.179 3.783 3.960 0.003 0.000 0.182 87 G C -0.109 174.681 174.900 -0.182 0.000 1.003 87 G CA 0.129 45.132 45.100 -0.163 0.000 0.666 87 G HN 0.779 nan 8.290 nan 0.000 0.506 88 T N -2.162 112.286 114.554 -0.176 0.000 2.888 88 T HA 0.585 4.937 4.350 0.003 0.000 0.284 88 T C 0.045 174.630 174.700 -0.191 0.000 1.017 88 T CA -0.830 61.188 62.100 -0.137 0.000 1.022 88 T CB 1.678 70.525 68.868 -0.036 0.000 1.013 88 T HN 0.335 nan 8.240 nan 0.000 0.465 89 W N 1.663 122.939 121.300 -0.041 0.000 2.251 89 W HA 0.498 5.160 4.660 0.004 0.000 0.327 89 W C 1.017 177.480 176.519 -0.093 0.000 1.361 89 W CA -0.524 56.768 57.345 -0.088 0.000 1.234 89 W CB 0.288 29.686 29.460 -0.103 0.000 1.212 89 W HN 1.021 nan 8.180 nan 0.000 0.557 90 A N 2.199 125.099 122.820 0.134 0.000 2.555 90 A HA 0.094 4.416 4.320 0.003 0.000 0.233 90 A C 1.482 179.094 177.584 0.048 0.000 1.060 90 A CA 0.589 52.657 52.037 0.051 0.000 0.759 90 A CB 0.276 19.280 19.000 0.008 0.000 0.995 90 A HN 0.823 nan 8.150 nan 0.000 0.506 91 S N 1.139 116.854 115.700 0.024 0.000 2.446 91 S HA 0.013 4.485 4.470 0.003 0.000 0.225 91 S C 0.838 175.438 174.600 -0.000 0.000 1.016 91 S CA 0.886 59.097 58.200 0.020 0.000 0.943 91 S CB -0.201 63.015 63.200 0.027 0.000 0.786 91 S HN 0.728 nan 8.310 nan 0.000 0.508 92 K N 0.787 121.181 120.400 -0.010 0.000 2.218 92 K HA 0.527 4.849 4.320 0.003 0.000 0.276 92 K C -1.256 175.322 176.600 -0.037 0.000 1.022 92 K CA -0.492 55.788 56.287 -0.011 0.000 0.946 92 K CB 0.540 33.033 32.500 -0.011 0.000 1.000 92 K HN 0.308 nan 8.250 nan 0.000 0.468 93 I N 3.104 123.676 120.570 0.003 0.000 2.465 93 I HA 0.143 4.315 4.170 0.003 0.000 0.291 93 I C -0.284 175.846 176.117 0.022 0.000 1.014 93 I CA -0.932 60.351 61.300 -0.028 0.000 1.093 93 I CB 1.795 39.834 38.000 0.066 0.000 1.267 93 I HN 0.541 nan 8.210 nan 0.000 0.431 94 N N 5.031 123.693 118.700 -0.063 0.000 2.555 94 N HA 0.117 4.859 4.740 0.003 0.000 0.244 94 N C -0.174 175.268 175.510 -0.113 0.000 1.114 94 N CA 0.227 53.275 53.050 -0.004 0.000 0.963 94 N CB 0.203 38.730 38.487 0.066 0.000 1.276 94 N HN 0.458 nan 8.380 nan 0.000 0.510 95 Y N 0.458 120.784 120.300 0.043 0.000 2.461 95 Y HA -0.023 4.529 4.550 0.004 0.000 0.277 95 Y C 2.263 178.169 175.900 0.011 0.000 1.182 95 Y CA -0.002 58.093 58.100 -0.007 0.000 1.276 95 Y CB 0.173 38.568 38.460 -0.108 0.000 1.087 95 Y HN 0.546 nan 8.280 nan 0.000 0.519 96 S N -0.561 115.218 115.700 0.131 0.000 2.420 96 S HA -0.228 4.244 4.470 0.003 0.000 0.237 96 S C 1.502 176.165 174.600 0.106 0.000 1.023 96 S CA 1.231 59.492 58.200 0.102 0.000 0.991 96 S CB -0.104 63.135 63.200 0.065 0.000 0.792 96 S HN 0.376 nan 8.310 nan 0.000 0.488 97 Q N 0.036 119.911 119.800 0.125 0.000 2.360 97 Q HA 0.276 4.618 4.340 0.003 0.000 0.202 97 Q C 0.067 176.139 176.000 0.120 0.000 0.915 97 Q CA -0.014 55.864 55.803 0.126 0.000 0.943 97 Q CB -0.453 28.390 28.738 0.175 0.000 1.064 97 Q HN 0.601 nan 8.270 nan 0.000 0.511 98 c N 2.697 121.367 118.600 0.117 0.000 2.218 98 c HA 0.303 4.875 4.570 0.003 0.000 0.353 98 c C 0.804 175.057 174.090 0.273 0.000 1.070 98 c CA -1.085 55.319 56.329 0.124 0.000 1.497 98 c CB -1.555 40.930 42.510 -0.041 0.000 1.951 98 c HN 0.263 nan 8.230 nan 0.000 0.493 99 E N 4.241 124.600 120.200 0.264 0.000 2.259 99 E HA 0.319 4.671 4.350 0.003 0.000 0.281 99 E C -2.164 174.585 176.600 0.248 0.000 1.037 99 E CA -1.136 55.404 56.400 0.234 0.000 0.854 99 E CB 0.762 30.538 29.700 0.126 0.000 1.051 99 E HN 0.408 nan 8.360 nan 0.000 0.409 100 P HA 0.248 nan 4.420 nan 0.000 0.274 100 P C -0.865 176.327 177.300 -0.180 0.000 1.256 100 P CA -0.232 62.623 63.100 -0.408 0.000 0.795 100 P CB 0.633 32.040 31.700 -0.487 0.000 1.038 101 I N 1.583 122.030 120.570 -0.205 0.000 2.560 101 I HA 0.197 4.369 4.170 0.003 0.000 0.283 101 I C -0.862 175.195 176.117 -0.101 0.000 1.115 101 I CA -0.410 60.831 61.300 -0.099 0.000 1.066 101 I CB 1.114 39.088 38.000 -0.044 0.000 1.221 101 I HN 0.096 nan 8.210 nan 0.000 0.450 102 L N 7.358 128.531 121.223 -0.082 0.000 3.521 102 L HA 0.487 4.829 4.340 0.003 0.000 0.323 102 L C -0.607 176.237 176.870 -0.044 0.000 1.268 102 L CA 0.449 55.249 54.840 -0.066 0.000 1.064 102 L CB -0.494 41.513 42.059 -0.086 0.000 1.455 102 L HN 0.847 nan 8.230 nan 0.000 0.622 103 D N 0.000 120.379 120.400 -0.036 0.000 6.856 103 D HA 0.000 4.642 4.640 0.003 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 -0.024 0.000 0.688 103 D HN 0.000 nan 8.370 nan 0.000 0.683