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_D DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGWGPP DATA SEQUENCE XXXXXPYSYc 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 0.000 176.563 176.600 -0.061 0.000 0.988 -369 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 -369 K CB 0.000 32.470 32.500 -0.051 0.000 1.064 -368 I N 1.608 122.133 120.570 -0.075 0.000 2.779 -368 I HA 0.097 4.268 4.170 0.002 0.000 0.285 -368 I C 0.284 176.366 176.117 -0.058 0.000 1.134 -368 I CA 0.036 61.288 61.300 -0.080 0.000 1.398 -368 I CB 0.387 38.325 38.000 -0.104 0.000 1.404 -368 I HN 0.330 nan 8.210 nan 0.000 0.587 -367 E N 4.400 124.569 120.200 -0.053 0.000 2.289 -367 E HA 0.093 4.444 4.350 0.002 0.000 0.278 -367 E C -0.319 176.260 176.600 -0.035 0.000 1.032 -367 E CA -0.434 55.943 56.400 -0.037 0.000 0.854 -367 E CB 0.900 30.583 29.700 -0.029 0.000 1.046 -367 E HN 0.468 nan 8.360 nan 0.000 0.409 -366 E N 0.985 121.170 120.200 -0.025 0.000 2.290 -366 E HA 0.162 4.513 4.350 0.002 0.000 0.277 -366 E C 0.426 177.020 176.600 -0.010 0.000 1.035 -366 E CA 0.278 56.667 56.400 -0.018 0.000 0.873 -366 E CB 0.424 30.116 29.700 -0.014 0.000 1.029 -366 E HN 0.797 nan 8.360 nan 0.000 0.419 -365 G N 4.151 112.949 108.800 -0.003 0.000 2.131 -365 G HA2 -0.236 3.725 3.960 0.002 0.000 0.223 -365 G HA3 -0.236 3.725 3.960 0.002 0.000 0.223 -365 G C -0.193 174.715 174.900 0.014 0.000 0.990 -365 G CA 0.498 45.605 45.100 0.011 0.000 0.671 -365 G HN 0.591 nan 8.290 nan 0.000 0.521 -364 K N -0.776 119.620 120.400 -0.007 0.000 2.509 -364 K HA 0.847 5.168 4.320 0.002 0.000 0.266 -364 K C -0.986 175.572 176.600 -0.070 0.000 0.987 -364 K CA -1.316 54.960 56.287 -0.019 0.000 0.868 -364 K CB 1.839 34.326 32.500 -0.022 0.000 1.421 -364 K HN 0.144 nan 8.250 nan 0.000 0.444 -363 L N 1.835 122.983 121.223 -0.126 0.000 2.333 -363 L HA 0.480 4.821 4.340 0.002 0.000 0.280 -363 L C -0.885 175.866 176.870 -0.197 0.000 1.004 -363 L CA -1.298 53.406 54.840 -0.227 0.000 0.820 -363 L CB 2.033 43.826 42.059 -0.444 0.000 1.247 -363 L HN 0.395 nan 8.230 nan 0.000 0.416 -362 V N 4.694 124.501 119.914 -0.179 0.000 2.435 -362 V HA 0.516 4.637 4.120 0.002 0.000 0.290 -362 V C -0.010 175.991 176.094 -0.156 0.000 1.030 -362 V CA -0.395 61.828 62.300 -0.129 0.000 0.881 -362 V CB 2.035 33.792 31.823 -0.111 0.000 0.983 -362 V HN 0.505 nan 8.190 nan 0.000 0.445 -361 I N 3.114 123.670 120.570 -0.023 0.000 2.498 -361 I HA 0.424 4.595 4.170 0.002 0.000 0.290 -361 I C -1.324 175.013 176.117 0.367 0.000 1.032 -361 I CA -0.429 60.922 61.300 0.085 0.000 1.073 -361 I CB 2.288 40.349 38.000 0.102 0.000 1.251 -361 I HN 0.516 nan 8.210 nan 0.000 0.426 -360 W N 7.215 128.561 121.300 0.078 0.000 2.376 -360 W HA 0.669 5.330 4.660 0.002 0.000 0.312 -360 W C -0.328 176.316 176.519 0.209 0.000 1.060 -360 W CA -0.905 56.490 57.345 0.083 0.000 1.221 -360 W CB 1.209 30.678 29.460 0.016 0.000 1.281 -360 W HN 0.232 nan 8.180 nan 0.000 0.456 -359 I N 3.068 123.847 120.570 0.348 0.000 2.969 -359 I HA 0.319 4.489 4.170 0.002 0.000 0.307 -359 I C -0.325 175.892 176.117 0.165 0.000 1.149 -359 I CA -1.070 60.397 61.300 0.279 0.000 1.008 -359 I CB 1.893 39.940 38.000 0.078 0.000 1.232 -359 I HN 0.122 nan 8.210 nan 0.000 0.435 -358 N N 2.932 121.709 118.700 0.130 0.000 2.483 -358 N HA 0.152 4.893 4.740 0.002 0.000 0.264 -358 N C 1.037 176.534 175.510 -0.022 0.000 1.197 -358 N CA 0.992 54.063 53.050 0.035 0.000 0.927 -358 N CB 1.534 39.919 38.487 -0.170 0.000 1.065 -358 N HN 0.756 nan 8.380 nan 0.000 0.461 -357 G N 2.003 110.780 108.800 -0.038 0.000 2.516 -357 G HA2 -0.287 3.674 3.960 0.002 0.000 0.221 -357 G HA3 -0.287 3.674 3.960 0.002 0.000 0.221 -357 G C 0.880 175.801 174.900 0.034 0.000 1.107 -357 G CA 1.074 46.137 45.100 -0.062 0.000 0.747 -357 G HN 0.804 nan 8.290 nan 0.000 0.567 -356 D N -0.271 120.056 120.400 -0.122 0.000 2.347 -356 D HA 0.024 4.665 4.640 0.002 0.000 0.213 -356 D C 1.072 177.282 176.300 -0.150 0.000 0.985 -356 D CA 0.382 54.279 54.000 -0.171 0.000 0.879 -356 D CB 0.119 40.649 40.800 -0.451 0.000 0.919 -356 D HN 0.073 nan 8.370 nan 0.000 0.526 -355 K N 0.214 120.531 120.400 -0.138 0.000 2.399 -355 K HA 0.481 4.802 4.320 0.002 0.000 0.247 -355 K C 0.974 177.528 176.600 -0.078 0.000 1.036 -355 K CA -0.513 55.709 56.287 -0.109 0.000 0.977 -355 K CB 0.352 32.757 32.500 -0.158 0.000 1.272 -355 K HN 0.041 nan 8.250 nan 0.000 0.501 -354 G N 1.656 110.396 108.800 -0.100 0.000 3.458 -354 G HA2 0.095 4.056 3.960 0.002 0.000 0.256 -354 G HA3 0.095 4.056 3.960 0.002 0.000 0.256 -354 G C 0.750 175.559 174.900 -0.152 0.000 0.938 -354 G CA -0.204 44.801 45.100 -0.157 0.000 1.890 -354 G HN 0.582 nan 8.290 nan 0.000 0.639 -353 Y N -0.941 119.299 120.300 -0.100 0.000 2.421 -353 Y HA -0.041 4.510 4.550 0.002 0.000 0.292 -353 Y C 1.900 177.787 175.900 -0.021 0.000 1.136 -353 Y CA 1.019 59.076 58.100 -0.072 0.000 1.255 -353 Y CB -0.470 37.955 38.460 -0.057 0.000 0.991 -353 Y HN 0.379 nan 8.280 nan 0.000 0.552 -352 N N 0.426 118.991 118.700 -0.226 0.000 2.333 -352 N HA 0.005 4.745 4.740 0.002 0.000 0.178 -352 N C 2.145 177.642 175.510 -0.022 0.000 1.018 -352 N CA 0.534 53.544 53.050 -0.066 0.000 0.882 -352 N CB -0.273 38.126 38.487 -0.147 0.000 0.984 -352 N HN 0.540 nan 8.380 nan 0.000 0.434 -351 G N 1.625 110.391 108.800 -0.057 0.000 2.433 -351 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 -351 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 -351 G C 1.442 176.351 174.900 0.016 0.000 1.186 -351 G CA 0.382 45.471 45.100 -0.018 0.000 0.779 -351 G HN 0.143 nan 8.290 nan 0.000 0.543 -350 L N 1.452 122.681 121.223 0.011 0.000 2.021 -350 L HA -0.096 4.245 4.340 0.002 0.000 0.215 -350 L C 3.085 180.035 176.870 0.133 0.000 1.074 -350 L CA 2.540 57.413 54.840 0.054 0.000 0.760 -350 L CB -0.566 41.493 42.059 0.000 0.000 0.889 -350 L HN 0.252 nan 8.230 nan 0.000 0.433 -349 A N -1.420 121.477 122.820 0.129 0.000 2.019 -349 A HA -0.165 4.156 4.320 0.002 0.000 0.219 -349 A C 2.150 179.809 177.584 0.125 0.000 1.164 -349 A CA 1.522 53.643 52.037 0.140 0.000 0.644 -349 A CB -0.524 18.562 19.000 0.144 0.000 0.805 -349 A HN 0.569 nan 8.150 nan 0.000 0.449 -348 E N -0.078 120.180 120.200 0.097 0.000 2.106 -348 E HA -0.102 4.249 4.350 0.002 0.000 0.192 -348 E C 2.151 178.816 176.600 0.108 0.000 0.984 -348 E CA 1.337 57.789 56.400 0.086 0.000 0.806 -348 E CB -0.360 29.374 29.700 0.057 0.000 0.750 -348 E HN 0.442 nan 8.360 nan 0.000 0.458 -347 V N 0.666 120.646 119.914 0.110 0.000 2.515 -347 V HA -0.157 3.964 4.120 0.002 0.000 0.250 -347 V C 2.396 178.615 176.094 0.208 0.000 1.058 -347 V CA 1.798 64.167 62.300 0.114 0.000 1.064 -347 V CB -0.995 30.843 31.823 0.025 0.000 0.675 -347 V HN 0.282 nan 8.190 nan 0.000 0.461 -346 G N -0.369 108.612 108.800 0.301 0.000 2.422 -346 G HA2 -0.245 3.716 3.960 0.002 0.000 0.218 -346 G HA3 -0.245 3.716 3.960 0.002 0.000 0.218 -346 G C 1.613 176.656 174.900 0.238 0.000 1.140 -346 G CA 0.692 46.009 45.100 0.361 0.000 0.775 -346 G HN 0.443 nan 8.290 nan 0.000 0.545 -345 K N 0.196 120.698 120.400 0.171 0.000 2.365 -345 K HA 0.125 4.446 4.320 0.002 0.000 0.199 -345 K C 2.250 178.929 176.600 0.132 0.000 1.045 -345 K CA 0.660 57.025 56.287 0.130 0.000 0.962 -345 K CB -0.003 32.556 32.500 0.099 0.000 0.759 -345 K HN 0.281 nan 8.250 nan 0.000 0.469 -344 K N -0.687 119.811 120.400 0.164 0.000 2.044 -344 K HA -0.086 4.235 4.320 0.002 0.000 0.204 -344 K C 1.845 178.543 176.600 0.162 0.000 1.049 -344 K CA 1.036 57.436 56.287 0.188 0.000 0.945 -344 K CB -0.198 32.458 32.500 0.259 0.000 0.724 -344 K HN 0.070 nan 8.250 nan 0.000 0.440 -343 F N 2.499 122.353 119.950 -0.159 0.000 2.120 -343 F HA -0.250 4.278 4.527 0.002 0.000 0.300 -343 F C 2.291 177.994 175.800 -0.162 0.000 1.095 -343 F CA 1.957 59.659 58.000 -0.496 0.000 1.249 -343 F CB -0.048 38.736 39.000 -0.361 0.000 0.995 -343 F HN 0.207 nan 8.300 nan 0.000 0.480 -342 E N -0.049 120.215 120.200 0.106 0.000 2.046 -342 E HA -0.239 4.112 4.350 0.002 0.000 0.190 -342 E C 2.198 178.794 176.600 -0.007 0.000 0.982 -342 E CA 1.060 57.492 56.400 0.054 0.000 0.800 -342 E CB -0.045 29.718 29.700 0.105 0.000 0.756 -342 E HN 0.272 nan 8.360 nan 0.000 0.449 -341 K N 0.806 121.220 120.400 0.023 0.000 2.059 -341 K HA -0.203 4.118 4.320 0.002 0.000 0.212 -341 K C 1.697 178.292 176.600 -0.009 0.000 1.050 -341 K CA 2.224 58.523 56.287 0.020 0.000 0.927 -341 K CB -0.094 32.436 32.500 0.049 0.000 0.714 -341 K HN 0.124 nan 8.250 nan 0.000 0.447 -340 D N -1.446 118.938 120.400 -0.027 0.000 2.075 -340 D HA -0.115 4.526 4.640 0.002 0.000 0.196 -340 D C 1.942 178.163 176.300 -0.132 0.000 0.985 -340 D CA 2.042 56.014 54.000 -0.045 0.000 0.834 -340 D CB -0.400 40.424 40.800 0.040 0.000 0.987 -340 D HN 0.413 nan 8.370 nan 0.000 0.452 -339 T N -3.693 110.685 114.554 -0.294 0.000 3.037 -339 T HA 0.317 4.668 4.350 0.002 0.000 0.251 -339 T C 1.655 176.249 174.700 -0.176 0.000 1.079 -339 T CA 0.754 62.663 62.100 -0.319 0.000 1.067 -339 T CB 0.476 68.947 68.868 -0.663 0.000 0.948 -339 T HN 0.261 nan 8.240 nan 0.000 0.496 -338 G N 1.541 110.267 108.800 -0.122 0.000 2.143 -338 G HA2 -0.155 3.806 3.960 0.002 0.000 0.249 -338 G HA3 -0.155 3.806 3.960 0.002 0.000 0.249 -338 G C -0.083 174.811 174.900 -0.010 0.000 0.981 -338 G CA 0.036 45.108 45.100 -0.046 0.000 0.665 -338 G HN 0.561 nan 8.290 nan 0.000 0.528 -337 I N 1.173 121.747 120.570 0.008 0.000 2.307 -337 I HA 0.276 4.447 4.170 0.002 0.000 0.289 -337 I C 0.868 177.074 176.117 0.147 0.000 1.021 -337 I CA -1.239 60.125 61.300 0.106 0.000 1.224 -337 I CB 1.223 39.364 38.000 0.236 0.000 1.376 -337 I HN 0.142 nan 8.210 nan 0.000 0.470 -336 K N 5.486 125.932 120.400 0.077 0.000 2.491 -336 K HA 0.160 4.481 4.320 0.002 0.000 0.279 -336 K C -0.907 175.713 176.600 0.032 0.000 1.026 -336 K CA 0.130 56.451 56.287 0.056 0.000 1.070 -336 K CB 0.576 33.093 32.500 0.029 0.000 0.887 -336 K HN 0.368 nan 8.250 nan 0.000 0.481 -335 V N 4.897 124.824 119.914 0.022 0.000 2.350 -335 V HA 0.151 4.272 4.120 0.002 0.000 0.285 -335 V C -0.367 175.705 176.094 -0.037 0.000 1.014 -335 V CA -0.724 61.529 62.300 -0.079 0.000 0.831 -335 V CB 1.622 33.351 31.823 -0.156 0.000 1.000 -335 V HN 0.818 nan 8.190 nan 0.000 0.433 -334 T N 4.614 119.140 114.554 -0.045 0.000 2.799 -334 T HA 0.571 4.922 4.350 0.002 0.000 0.286 -334 T C -0.220 174.490 174.700 0.018 0.000 0.973 -334 T CA -0.389 61.712 62.100 0.002 0.000 1.035 -334 T CB 1.717 70.592 68.868 0.011 0.000 0.932 -334 T HN 0.304 nan 8.240 nan 0.000 0.469 -333 V N 3.896 123.846 119.914 0.061 0.000 2.378 -333 V HA 0.430 4.551 4.120 0.002 0.000 0.288 -333 V C -0.008 176.139 176.094 0.089 0.000 1.016 -333 V CA -0.676 61.686 62.300 0.104 0.000 0.840 -333 V CB 1.333 33.237 31.823 0.136 0.000 0.994 -333 V HN 0.867 nan 8.190 nan 0.000 0.431 -332 E N 2.409 122.669 120.200 0.100 0.000 2.339 -332 E HA 0.648 4.999 4.350 0.002 0.000 0.262 -332 E C -1.113 175.399 176.600 -0.147 0.000 0.934 -332 E CA -0.850 55.490 56.400 -0.100 0.000 0.802 -332 E CB 2.071 31.713 29.700 -0.097 0.000 1.275 -332 E HN 0.976 nan 8.360 nan 0.000 0.427 -331 H N -1.626 117.248 119.070 -0.328 0.000 2.511 -331 H HA 0.368 4.925 4.556 0.002 0.000 0.228 -331 H C -2.747 172.365 175.328 -0.360 0.000 1.424 -331 H CA -2.123 53.712 56.048 -0.356 0.000 1.321 -331 H CB -0.670 28.797 29.762 -0.490 0.000 1.720 -331 H HN 0.133 nan 8.280 nan 0.000 0.512 -330 P HA 0.022 nan 4.420 nan 0.000 0.269 -330 P C 0.208 177.327 177.300 -0.301 0.000 1.215 -330 P CA -0.028 62.773 63.100 -0.499 0.000 0.780 -330 P CB 0.936 32.134 31.700 -0.836 0.000 0.898 -329 D N 1.593 121.865 120.400 -0.214 0.000 2.357 -329 D HA 0.024 4.664 4.640 0.002 0.000 0.242 -329 D C 0.443 176.658 176.300 -0.141 0.000 1.153 -329 D CA 0.072 53.996 54.000 -0.126 0.000 0.918 -329 D CB 0.342 41.090 40.800 -0.088 0.000 1.181 -329 D HN 0.335 nan 8.370 nan 0.000 0.435 -328 K N 0.560 120.908 120.400 -0.086 0.000 3.077 -328 K HA -0.234 4.087 4.320 0.002 0.000 0.264 -328 K C 1.086 177.591 176.600 -0.159 0.000 1.008 -328 K CA -0.259 55.970 56.287 -0.097 0.000 0.740 -328 K CB -0.800 31.656 32.500 -0.072 0.000 1.273 -328 K HN 0.282 nan 8.250 nan 0.000 0.477 -327 L N 1.919 123.035 121.223 -0.179 0.000 2.051 -327 L HA -0.236 4.105 4.340 0.002 0.000 0.214 -327 L C 2.448 179.198 176.870 -0.200 0.000 1.076 -327 L CA 2.570 57.292 54.840 -0.196 0.000 0.758 -327 L CB -0.283 41.747 42.059 -0.047 0.000 0.890 -327 L HN 0.453 nan 8.230 nan 0.000 0.433 -326 E N -0.819 119.081 120.200 -0.499 0.000 2.427 -326 E HA -0.176 4.175 4.350 0.002 0.000 0.196 -326 E C 1.467 177.980 176.600 -0.144 0.000 1.028 -326 E CA 1.184 57.259 56.400 -0.542 0.000 0.864 -326 E CB -0.229 28.670 29.700 -1.335 0.000 0.813 -326 E HN 0.741 nan 8.360 nan 0.000 0.514 -325 E N 0.459 120.588 120.200 -0.118 0.000 2.330 -325 E HA 0.094 4.445 4.350 0.002 0.000 0.200 -325 E C 1.782 178.369 176.600 -0.022 0.000 0.922 -325 E CA 0.021 56.395 56.400 -0.043 0.000 0.935 -325 E CB 0.270 29.938 29.700 -0.052 0.000 0.917 -325 E HN 0.040 nan 8.360 nan 0.000 0.491 -324 K N 0.543 120.931 120.400 -0.020 0.000 2.155 -324 K HA -0.099 4.222 4.320 0.002 0.000 0.203 -324 K C 1.735 178.444 176.600 0.181 0.000 1.052 -324 K CA 0.686 56.989 56.287 0.028 0.000 0.948 -324 K CB -0.026 32.426 32.500 -0.080 0.000 0.728 -324 K HN 0.014 nan 8.250 nan 0.000 0.448 -323 F N 2.027 122.014 119.950 0.061 0.000 2.102 -323 F HA -0.054 4.474 4.527 0.002 0.000 0.298 -323 F C -1.358 174.299 175.800 -0.239 0.000 1.105 -323 F CA 0.690 58.677 58.000 -0.022 0.000 1.239 -323 F CB -0.767 38.094 39.000 -0.233 0.000 0.991 -323 F HN 0.049 nan 8.300 nan 0.000 0.474 -322 P HA -0.124 nan 4.420 nan 0.000 0.218 -322 P C 1.430 178.546 177.300 -0.307 0.000 1.152 -322 P CA 1.545 64.352 63.100 -0.488 0.000 0.826 -322 P CB -0.172 31.424 31.700 -0.173 0.000 0.790 -321 Q N -0.108 119.588 119.800 -0.175 0.000 1.998 -321 Q HA -0.184 4.157 4.340 0.002 0.000 0.209 -321 Q C 2.158 178.072 176.000 -0.144 0.000 1.002 -321 Q CA 2.667 58.398 55.803 -0.120 0.000 0.858 -321 Q CB -1.075 27.624 28.738 -0.064 0.000 0.932 -321 Q HN 0.222 nan 8.270 nan 0.000 0.416 -320 V N -2.560 117.274 119.914 -0.133 0.000 2.488 -320 V HA -0.008 4.113 4.120 0.002 0.000 0.246 -320 V C 2.078 178.018 176.094 -0.257 0.000 1.046 -320 V CA 1.475 63.700 62.300 -0.125 0.000 1.053 -320 V CB -1.075 30.753 31.823 0.008 0.000 0.679 -320 V HN 0.343 nan 8.190 nan 0.000 0.458 -319 A N 1.109 123.640 122.820 -0.482 0.000 1.908 -319 A HA -0.021 4.300 4.320 0.002 0.000 0.218 -319 A C 2.564 179.913 177.584 -0.391 0.000 1.181 -319 A CA 2.578 54.249 52.037 -0.610 0.000 0.627 -319 A CB -1.282 16.967 19.000 -1.252 0.000 0.818 -319 A HN 1.110 nan 8.150 nan 0.000 0.445 -318 A N -0.417 122.204 122.820 -0.333 0.000 2.009 -318 A HA -0.196 4.125 4.320 0.002 0.000 0.222 -318 A C 2.252 179.747 177.584 -0.149 0.000 1.175 -318 A CA 2.643 54.557 52.037 -0.205 0.000 0.651 -318 A CB -1.250 17.658 19.000 -0.154 0.000 0.815 -318 A HN 0.963 nan 8.150 nan 0.000 0.459 -317 T N -5.065 109.399 114.554 -0.149 0.000 3.086 -317 T HA 0.429 4.779 4.350 0.002 0.000 0.250 -317 T C 1.184 175.823 174.700 -0.102 0.000 1.074 -317 T CA 1.008 63.045 62.100 -0.105 0.000 0.988 -317 T CB 0.104 68.921 68.868 -0.084 0.000 0.988 -317 T HN 1.841 nan 8.240 nan 0.000 0.530 -316 G N 0.716 109.438 108.800 -0.129 0.000 2.149 -316 G HA2 -0.146 3.815 3.960 0.002 0.000 0.235 -316 G HA3 -0.146 3.815 3.960 0.002 0.000 0.235 -316 G C -0.406 174.422 174.900 -0.120 0.000 1.018 -316 G CA 0.057 45.088 45.100 -0.115 0.000 0.728 -316 G HN 0.807 nan 8.290 nan 0.000 0.508 -315 D N -1.762 118.547 120.400 -0.152 0.000 2.636 -315 D HA 0.769 5.410 4.640 0.002 0.000 0.275 -315 D C 0.848 177.016 176.300 -0.219 0.000 1.130 -315 D CA 1.245 55.158 54.000 -0.145 0.000 1.031 -315 D CB 1.232 41.973 40.800 -0.098 0.000 1.451 -315 D HN 1.442 nan 8.370 nan 0.000 0.505 -314 G N 0.014 108.681 108.800 -0.223 0.000 2.545 -314 G HA2 -0.055 3.906 3.960 0.002 0.000 0.216 -314 G HA3 -0.055 3.906 3.960 0.002 0.000 0.216 -314 G C -2.535 172.014 174.900 -0.585 0.000 1.314 -314 G CA -0.392 44.439 45.100 -0.448 0.000 0.906 -314 G HN 0.581 nan 8.290 nan 0.000 0.563 -313 P HA 0.304 nan 4.420 nan 0.000 0.276 -313 P C 0.098 177.159 177.300 -0.398 0.000 1.244 -313 P CA -0.056 62.563 63.100 -0.803 0.000 0.801 -313 P CB 0.878 31.864 31.700 -1.190 0.000 1.006 -312 D N 0.647 120.868 120.400 -0.299 0.000 2.097 -312 D HA -0.011 4.630 4.640 0.002 0.000 0.197 -312 D C 0.750 176.932 176.300 -0.196 0.000 0.984 -312 D CA 1.507 55.383 54.000 -0.207 0.000 0.826 -312 D CB 0.258 40.941 40.800 -0.195 0.000 0.973 -312 D HN 0.374 nan 8.370 nan 0.000 0.460 -311 I N 0.862 121.293 120.570 -0.231 0.000 2.569 -311 I HA 0.352 4.523 4.170 0.002 0.000 0.296 -311 I C -0.509 175.457 176.117 -0.252 0.000 1.028 -311 I CA -0.715 60.457 61.300 -0.213 0.000 1.082 -311 I CB 3.249 41.156 38.000 -0.155 0.000 1.264 -311 I HN -0.144 nan 8.210 nan 0.000 0.429 -310 I N 5.033 125.389 120.570 -0.357 0.000 2.498 -310 I HA 0.452 4.623 4.170 0.002 0.000 0.290 -310 I C -1.605 174.392 176.117 -0.200 0.000 1.032 -310 I CA -0.537 60.566 61.300 -0.328 0.000 1.073 -310 I CB 1.977 39.447 38.000 -0.884 0.000 1.251 -310 I HN 0.402 nan 8.210 nan 0.000 0.426 -309 F N 7.789 127.855 119.950 0.194 0.000 2.411 -309 F HA 0.507 5.035 4.527 0.002 0.000 0.352 -309 F C -0.356 175.721 175.800 0.461 0.000 1.123 -309 F CA -0.045 58.132 58.000 0.296 0.000 1.044 -309 F CB 1.131 40.246 39.000 0.191 0.000 1.135 -309 F HN 0.419 nan 8.300 nan 0.000 0.461 -308 W N 2.063 123.582 121.300 0.365 0.000 3.057 -308 W HA 0.560 5.221 4.660 0.002 0.000 0.328 -308 W C -1.296 175.239 176.519 0.028 0.000 1.232 -308 W CA -1.324 56.158 57.345 0.227 0.000 1.187 -308 W CB 1.365 31.039 29.460 0.357 0.000 1.417 -308 W HN 0.595 nan 8.180 nan 0.000 0.569 -307 A N 2.744 125.355 122.820 -0.350 0.000 2.555 -307 A HA -0.021 4.300 4.320 0.002 0.000 0.233 -307 A C 1.373 178.900 177.584 -0.094 0.000 1.060 -307 A CA 1.102 52.997 52.037 -0.236 0.000 0.759 -307 A CB -0.149 18.616 19.000 -0.393 0.000 0.995 -307 A HN 0.763 nan 8.150 nan 0.000 0.506 -306 H N 1.482 120.388 119.070 -0.273 0.000 2.521 -306 H HA -0.130 4.427 4.556 0.001 0.000 0.286 -306 H C 0.999 176.266 175.328 -0.101 0.000 1.034 -306 H CA 1.281 57.066 56.048 -0.438 0.000 1.278 -306 H CB -0.341 29.237 29.762 -0.307 0.000 1.386 -306 H HN 0.832 nan 8.280 nan 0.000 0.567 -305 D N 1.949 122.007 120.400 -0.571 0.000 2.263 -305 D HA -0.192 4.449 4.640 0.002 0.000 0.208 -305 D C 1.557 177.797 176.300 -0.100 0.000 0.971 -305 D CA 0.607 54.396 54.000 -0.352 0.000 0.867 -305 D CB -0.404 40.234 40.800 -0.272 0.000 0.929 -305 D HN 0.428 nan 8.370 nan 0.000 0.492 -304 R N -1.185 119.307 120.500 -0.013 0.000 2.334 -304 R HA 0.152 4.493 4.340 0.002 0.000 0.216 -304 R C 1.218 177.150 176.300 -0.614 0.000 0.905 -304 R CA -0.267 55.648 56.100 -0.307 0.000 1.064 -304 R CB -0.063 29.966 30.300 -0.452 0.000 1.046 -304 R HN 0.123 nan 8.270 nan 0.000 0.508 -303 F N 0.703 120.387 119.950 -0.443 0.000 2.234 -303 F HA 0.111 4.638 4.527 0.001 0.000 0.296 -303 F C 2.496 178.093 175.800 -0.338 0.000 1.089 -303 F CA 0.893 58.723 58.000 -0.283 0.000 1.343 -303 F CB -0.883 38.101 39.000 -0.027 0.000 1.040 -303 F HN 0.072 nan 8.300 nan 0.000 0.498 -302 G N 0.130 108.785 108.800 -0.241 0.000 2.491 -302 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 -302 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 -302 G C 2.114 176.626 174.900 -0.648 0.000 1.180 -302 G CA 1.049 45.719 45.100 -0.717 0.000 0.774 -302 G HN 0.499 nan 8.290 nan 0.000 0.562 -301 G N -0.171 108.389 108.800 -0.400 0.000 2.469 -301 G HA2 -0.223 3.738 3.960 0.002 0.000 0.220 -301 G HA3 -0.223 3.738 3.960 0.002 0.000 0.220 -301 G C 1.636 176.470 174.900 -0.109 0.000 1.136 -301 G CA 1.232 46.177 45.100 -0.258 0.000 0.759 -301 G HN 0.459 nan 8.290 nan 0.000 0.562 -300 Y N 0.871 121.105 120.300 -0.111 0.000 2.337 -300 Y HA 0.283 4.834 4.550 0.001 0.000 0.293 -300 Y C 2.961 178.824 175.900 -0.062 0.000 1.123 -300 Y CA -0.142 57.913 58.100 -0.074 0.000 1.201 -300 Y CB -0.963 37.471 38.460 -0.044 0.000 1.011 -300 Y HN 0.263 nan 8.280 nan 0.000 0.545 -299 A N -0.261 122.582 122.820 0.039 0.000 1.930 -299 A HA -0.166 4.154 4.320 0.002 0.000 0.215 -299 A C 2.165 179.840 177.584 0.151 0.000 1.176 -299 A CA 1.428 53.523 52.037 0.097 0.000 0.632 -299 A CB -0.561 18.520 19.000 0.136 0.000 0.819 -299 A HN 0.345 nan 8.150 nan 0.000 0.445 -298 Q N 0.683 120.537 119.800 0.091 0.000 2.124 -298 Q HA -0.097 4.244 4.340 0.002 0.000 0.202 -298 Q C 1.855 177.922 176.000 0.112 0.000 0.977 -298 Q CA 2.301 58.221 55.803 0.195 0.000 0.850 -298 Q CB -0.532 28.281 28.738 0.126 0.000 0.901 -298 Q HN 0.506 nan 8.270 nan 0.000 0.429 -297 S N -0.794 114.948 115.700 0.069 0.000 2.561 -297 S HA 0.204 4.675 4.470 0.002 0.000 0.225 -297 S C 0.994 175.612 174.600 0.030 0.000 0.977 -297 S CA 0.551 58.777 58.200 0.042 0.000 0.926 -297 S CB -0.157 63.056 63.200 0.022 0.000 0.769 -297 S HN 0.695 nan 8.310 nan 0.000 0.533 -296 G N 1.374 110.207 108.800 0.055 0.000 2.246 -296 G HA2 -0.238 3.723 3.960 0.002 0.000 0.273 -296 G HA3 -0.238 3.723 3.960 0.002 0.000 0.273 -296 G C 0.396 175.301 174.900 0.008 0.000 1.055 -296 G CA 0.366 45.491 45.100 0.042 0.000 0.851 -296 G HN 0.524 nan 8.290 nan 0.000 0.500 -295 L N -1.333 119.892 121.223 0.003 0.000 2.554 -295 L HA 0.410 4.751 4.340 0.002 0.000 0.225 -295 L C 1.323 178.202 176.870 0.015 0.000 1.104 -295 L CA 0.138 54.941 54.840 -0.062 0.000 0.866 -295 L CB 0.166 42.101 42.059 -0.207 0.000 1.047 -295 L HN 0.216 nan 8.230 nan 0.000 0.468 -294 L N 0.707 121.970 121.223 0.067 0.000 2.296 -294 L HA 0.557 4.898 4.340 0.002 0.000 0.286 -294 L C 0.320 177.228 176.870 0.063 0.000 1.023 -294 L CA -0.586 54.298 54.840 0.074 0.000 0.812 -294 L CB 1.654 43.765 42.059 0.087 0.000 1.223 -294 L HN -0.037 nan 8.230 nan 0.000 0.421 -293 A N 3.055 125.904 122.820 0.049 0.000 2.388 -293 A HA 0.153 4.474 4.320 0.002 0.000 0.257 -293 A C 0.173 177.792 177.584 0.059 0.000 1.095 -293 A CA -0.302 51.762 52.037 0.046 0.000 0.791 -293 A CB 0.295 19.316 19.000 0.035 0.000 1.029 -293 A HN 0.778 nan 8.150 nan 0.000 0.489 -292 E N 1.825 122.057 120.200 0.054 0.000 2.351 -292 E HA 0.235 4.586 4.350 0.002 0.000 0.266 -292 E C -0.108 176.513 176.600 0.035 0.000 1.031 -292 E CA -0.174 56.255 56.400 0.049 0.000 0.911 -292 E CB 0.176 29.901 29.700 0.041 0.000 0.986 -292 E HN 0.572 nan 8.360 nan 0.000 0.446 -291 I N 1.989 122.566 120.570 0.011 0.000 2.581 -291 I HA 0.303 4.474 4.170 0.002 0.000 0.288 -291 I C -0.049 176.049 176.117 -0.033 0.000 1.047 -291 I CA -0.386 60.902 61.300 -0.020 0.000 1.374 -291 I CB 1.544 39.414 38.000 -0.217 0.000 1.423 -291 I HN 0.349 nan 8.210 nan 0.000 0.549 -290 T N 2.557 117.111 114.554 -0.000 0.000 3.418 -290 T HA 0.473 4.824 4.350 0.002 0.000 0.315 -290 T C -2.346 172.350 174.700 -0.006 0.000 1.447 -290 T CA -1.192 60.897 62.100 -0.018 0.000 1.641 -290 T CB -0.041 68.825 68.868 -0.004 0.000 0.904 -290 T HN 0.586 nan 8.240 nan 0.000 0.640 -289 P HA 0.330 nan 4.420 nan 0.000 0.275 -289 P C -0.274 177.019 177.300 -0.012 0.000 1.228 -289 P CA -0.170 62.939 63.100 0.016 0.000 0.786 -289 P CB 0.819 32.610 31.700 0.153 0.000 0.927 -288 D N 1.213 121.630 120.400 0.029 0.000 2.398 -288 D HA 0.062 4.703 4.640 0.002 0.000 0.247 -288 D C 1.120 177.441 176.300 0.036 0.000 1.227 -288 D CA -0.407 53.606 54.000 0.023 0.000 0.980 -288 D CB 0.595 41.415 40.800 0.033 0.000 1.106 -288 D HN -0.000 nan 8.370 nan 0.000 0.493 -287 K N 0.261 120.666 120.400 0.008 0.000 2.009 -287 K HA -0.130 4.191 4.320 0.002 0.000 0.210 -287 K C 2.014 178.635 176.600 0.035 0.000 1.049 -287 K CA 1.763 58.046 56.287 -0.007 0.000 0.929 -287 K CB -1.177 31.315 32.500 -0.013 0.000 0.714 -287 K HN 0.599 nan 8.250 nan 0.000 0.440 -286 A N -0.211 122.647 122.820 0.063 0.000 2.042 -286 A HA -0.208 4.113 4.320 0.002 0.000 0.222 -286 A C 2.175 179.835 177.584 0.125 0.000 1.167 -286 A CA 1.701 53.786 52.037 0.079 0.000 0.649 -286 A CB -0.727 18.323 19.000 0.083 0.000 0.809 -286 A HN 0.416 nan 8.150 nan 0.000 0.457 -285 F N -0.246 119.728 119.950 0.038 0.000 2.473 -285 F HA 0.023 4.551 4.527 0.001 0.000 0.294 -285 F C 2.400 178.296 175.800 0.161 0.000 1.103 -285 F CA 1.200 59.261 58.000 0.102 0.000 1.442 -285 F CB 0.032 39.113 39.000 0.135 0.000 1.097 -285 F HN 0.279 nan 8.300 nan 0.000 0.547 -284 Q N -0.321 119.563 119.800 0.140 0.000 2.245 -284 Q HA -0.127 4.214 4.340 0.002 0.000 0.201 -284 Q C 1.217 177.275 176.000 0.098 0.000 0.955 -284 Q CA 1.152 56.972 55.803 0.030 0.000 0.870 -284 Q CB -0.069 28.446 28.738 -0.372 0.000 0.945 -284 Q HN 0.349 nan 8.270 nan 0.000 0.461 -283 D N 1.008 121.420 120.400 0.020 0.000 2.269 -283 D HA -0.084 4.557 4.640 0.002 0.000 0.208 -283 D C 1.320 177.585 176.300 -0.059 0.000 0.963 -283 D CA 0.856 54.854 54.000 -0.003 0.000 0.864 -283 D CB 0.064 40.858 40.800 -0.011 0.000 0.936 -283 D HN 0.169 nan 8.370 nan 0.000 0.505 -282 K N -0.122 120.213 120.400 -0.108 0.000 2.283 -282 K HA 0.022 4.342 4.320 0.002 0.000 0.202 -282 K C 0.718 177.178 176.600 -0.234 0.000 1.048 -282 K CA 0.530 56.692 56.287 -0.208 0.000 0.948 -282 K CB 0.353 32.634 32.500 -0.365 0.000 0.742 -282 K HN 0.157 nan 8.250 nan 0.000 0.458 -281 L N 0.094 121.250 121.223 -0.112 0.000 2.333 -281 L HA 0.337 4.678 4.340 0.002 0.000 0.269 -281 L C -0.398 176.406 176.870 -0.110 0.000 1.010 -281 L CA -1.387 53.361 54.840 -0.152 0.000 0.818 -281 L CB 0.763 42.731 42.059 -0.151 0.000 1.306 -281 L HN -0.097 nan 8.230 nan 0.000 0.430 -280 Y N 1.319 121.562 120.300 -0.094 0.000 2.620 -280 Y HA 0.027 4.578 4.550 0.001 0.000 0.330 -280 Y C -1.385 174.497 175.900 -0.029 0.000 1.186 -280 Y CA -1.049 57.016 58.100 -0.059 0.000 1.467 -280 Y CB -0.045 38.317 38.460 -0.163 0.000 1.262 -280 Y HN 0.437 nan 8.280 nan 0.000 0.550 -279 P HA -0.290 nan 4.420 nan 0.000 0.217 -279 P C 1.442 178.887 177.300 0.241 0.000 1.158 -279 P CA 1.877 65.159 63.100 0.304 0.000 0.887 -279 P CB -0.162 31.692 31.700 0.257 0.000 0.792 -278 F N -0.489 119.555 119.950 0.157 0.000 2.546 -278 F HA -0.076 4.452 4.527 0.001 0.000 0.298 -278 F C 1.697 177.507 175.800 0.017 0.000 1.120 -278 F CA 1.454 59.499 58.000 0.076 0.000 1.456 -278 F CB -1.966 37.053 39.000 0.030 0.000 1.088 -278 F HN -0.080 nan 8.300 nan 0.000 0.572 -277 T N -3.812 110.293 114.554 -0.749 0.000 2.978 -277 T HA -0.096 4.255 4.350 0.002 0.000 0.262 -277 T C 1.546 175.988 174.700 -0.430 0.000 1.063 -277 T CA 0.688 62.365 62.100 -0.705 0.000 1.140 -277 T CB -1.081 67.308 68.868 -0.798 0.000 0.886 -277 T HN 0.529 nan 8.240 nan 0.000 0.470 -276 W N 2.341 123.561 121.300 -0.133 0.000 2.363 -276 W HA 0.018 4.679 4.660 0.002 0.000 0.296 -276 W C 2.165 178.664 176.519 -0.033 0.000 1.212 -276 W CA 0.516 57.827 57.345 -0.058 0.000 1.260 -276 W CB -0.245 29.203 29.460 -0.019 0.000 1.131 -276 W HN 0.210 nan 8.180 nan 0.000 0.530 -275 D N 0.280 120.787 120.400 0.180 0.000 2.106 -275 D HA -0.226 4.415 4.640 0.002 0.000 0.191 -275 D C 2.219 178.571 176.300 0.087 0.000 0.997 -275 D CA 2.071 56.160 54.000 0.147 0.000 0.834 -275 D CB -0.942 39.951 40.800 0.156 0.000 0.956 -275 D HN 0.152 nan 8.370 nan 0.000 0.448 -274 A N 0.795 123.585 122.820 -0.049 0.000 1.978 -274 A HA -0.140 4.181 4.320 0.002 0.000 0.220 -274 A C 2.206 179.746 177.584 -0.072 0.000 1.170 -274 A CA 1.715 53.622 52.037 -0.216 0.000 0.636 -274 A CB -0.510 18.074 19.000 -0.695 0.000 0.810 -274 A HN 0.264 nan 8.150 nan 0.000 0.448 -273 V N -2.836 117.067 119.914 -0.017 0.000 3.499 -273 V HA 0.339 4.460 4.120 0.002 0.000 0.308 -273 V C 0.539 176.746 176.094 0.188 0.000 1.319 -273 V CA -0.019 62.327 62.300 0.076 0.000 1.194 -273 V CB -1.069 30.769 31.823 0.026 0.000 1.072 -273 V HN 0.421 nan 8.190 nan 0.000 0.426 -272 R N 0.596 121.216 120.500 0.200 0.000 2.393 -272 R HA 0.511 4.852 4.340 0.002 0.000 0.310 -272 R C -1.749 174.722 176.300 0.286 0.000 0.968 -272 R CA -0.779 55.450 56.100 0.216 0.000 0.867 -272 R CB 1.359 31.764 30.300 0.175 0.000 1.124 -272 R HN 0.437 nan 8.270 nan 0.000 0.450 -271 Y N 4.359 124.723 120.300 0.107 0.000 2.331 -271 Y HA 0.205 4.756 4.550 0.002 0.000 0.326 -271 Y C -0.830 175.113 175.900 0.072 0.000 1.020 -271 Y CA -1.114 57.044 58.100 0.096 0.000 1.136 -271 Y CB 1.032 39.556 38.460 0.106 0.000 1.157 -271 Y HN 0.975 nan 8.280 nan 0.000 0.444 -270 N N 3.918 122.417 118.700 -0.335 0.000 2.740 -270 N HA -0.213 4.528 4.740 0.002 0.000 0.248 -270 N C 0.937 176.397 175.510 -0.083 0.000 1.062 -270 N CA 1.065 53.966 53.050 -0.247 0.000 0.704 -270 N CB -0.983 37.307 38.487 -0.330 0.000 0.968 -270 N HN 1.276 nan 8.380 nan 0.000 0.547 -269 G N -1.126 107.661 108.800 -0.022 0.000 2.189 -269 G HA2 -0.404 3.557 3.960 0.002 0.000 0.267 -269 G HA3 -0.404 3.557 3.960 0.002 0.000 0.267 -269 G C 0.057 174.972 174.900 0.025 0.000 0.975 -269 G CA 0.963 46.069 45.100 0.009 0.000 0.644 -269 G HN 0.479 nan 8.290 nan 0.000 0.537 -268 K N 0.241 120.666 120.400 0.042 0.000 2.185 -268 K HA 0.568 4.889 4.320 0.002 0.000 0.269 -268 K C 0.501 177.162 176.600 0.101 0.000 0.987 -268 K CA -0.763 55.559 56.287 0.058 0.000 0.865 -268 K CB 1.371 33.908 32.500 0.062 0.000 1.090 -268 K HN 0.166 nan 8.250 nan 0.000 0.450 -267 L N 5.139 126.405 121.223 0.072 0.000 2.418 -267 L HA 0.067 4.408 4.340 0.002 0.000 0.274 -267 L C 1.059 177.993 176.870 0.107 0.000 1.135 -267 L CA -0.038 54.865 54.840 0.104 0.000 0.870 -267 L CB 0.054 42.141 42.059 0.046 0.000 1.154 -267 L HN 0.673 nan 8.230 nan 0.000 0.462 -266 I N 0.443 121.111 120.570 0.164 0.000 4.018 -266 I HA 0.602 4.773 4.170 0.002 0.000 0.337 -266 I C 0.522 176.754 176.117 0.192 0.000 1.327 -266 I CA 0.057 61.464 61.300 0.178 0.000 1.100 -266 I CB 0.303 38.444 38.000 0.235 0.000 1.025 -266 I HN 0.469 nan 8.210 nan 0.000 0.396 -265 A N -0.508 122.394 122.820 0.137 0.000 2.567 -265 A HA 0.661 4.982 4.320 0.002 0.000 0.291 -265 A C -1.913 175.632 177.584 -0.065 0.000 1.048 -265 A CA -0.596 51.511 52.037 0.117 0.000 0.661 -265 A CB 0.212 19.439 19.000 0.378 0.000 1.288 -265 A HN 0.097 nan 8.150 nan 0.000 0.424 -264 Y N 0.644 121.015 120.300 0.119 0.000 2.316 -264 Y HA 0.448 4.999 4.550 0.002 0.000 0.331 -264 Y C -2.137 173.678 175.900 -0.143 0.000 1.083 -264 Y CA -1.546 56.572 58.100 0.030 0.000 1.206 -264 Y CB 0.837 39.367 38.460 0.117 0.000 1.195 -264 Y HN 0.371 nan 8.280 nan 0.000 0.497 -263 P HA 0.098 nan 4.420 nan 0.000 0.275 -263 P C -0.004 177.238 177.300 -0.097 0.000 1.228 -263 P CA 0.175 63.104 63.100 -0.284 0.000 0.786 -263 P CB 1.085 32.434 31.700 -0.586 0.000 0.927 -262 I N 0.434 120.990 120.570 -0.024 0.000 3.739 -262 I HA 0.427 4.598 4.170 0.002 0.000 0.272 -262 I C 0.705 176.841 176.117 0.032 0.000 1.167 -262 I CA 0.292 61.632 61.300 0.068 0.000 1.386 -262 I CB -0.644 37.475 38.000 0.198 0.000 1.490 -262 I HN 0.293 nan 8.210 nan 0.000 0.452 -261 A N 0.742 123.567 122.820 0.007 0.000 2.599 -261 A HA 0.627 4.948 4.320 0.002 0.000 0.294 -261 A C -1.301 176.292 177.584 0.015 0.000 1.055 -261 A CA -0.362 51.687 52.037 0.019 0.000 0.683 -261 A CB 1.355 20.384 19.000 0.047 0.000 1.278 -261 A HN -0.157 nan 8.150 nan 0.000 0.412 -260 V N 1.887 121.824 119.914 0.038 0.000 2.481 -260 V HA 0.560 4.681 4.120 0.002 0.000 0.286 -260 V C -0.091 176.057 176.094 0.090 0.000 1.042 -260 V CA -0.165 62.185 62.300 0.083 0.000 0.928 -260 V CB 1.226 33.131 31.823 0.138 0.000 0.986 -260 V HN 0.950 nan 8.190 nan 0.000 0.462 -259 E N 3.731 124.009 120.200 0.131 0.000 2.293 -259 E HA 0.878 5.229 4.350 0.002 0.000 0.270 -259 E C -0.905 175.825 176.600 0.217 0.000 0.879 -259 E CA -1.005 55.500 56.400 0.174 0.000 0.756 -259 E CB 2.603 32.479 29.700 0.293 0.000 1.208 -259 E HN 0.745 nan 8.360 nan 0.000 0.428 -258 A N 2.794 125.718 122.820 0.174 0.000 2.594 -258 A HA 0.537 4.858 4.320 0.002 0.000 0.295 -258 A C -1.008 176.640 177.584 0.107 0.000 1.071 -258 A CA -0.871 51.279 52.037 0.188 0.000 0.685 -258 A CB 1.026 20.110 19.000 0.140 0.000 1.285 -258 A HN 0.589 nan 8.150 nan 0.000 0.405 -257 L N 1.122 122.393 121.223 0.080 0.000 2.464 -257 L HA 0.525 4.866 4.340 0.002 0.000 0.264 -257 L C 0.570 177.450 176.870 0.017 0.000 1.199 -257 L CA 0.059 54.904 54.840 0.008 0.000 0.818 -257 L CB 1.261 43.283 42.059 -0.062 0.000 1.102 -257 L HN 0.730 nan 8.230 nan 0.000 0.473 -256 S N 0.992 116.704 115.700 0.020 0.000 2.627 -256 S HA 0.517 4.987 4.470 0.002 0.000 0.283 -256 S C -1.045 173.560 174.600 0.008 0.000 1.127 -256 S CA -0.659 57.564 58.200 0.039 0.000 0.863 -256 S CB 1.998 65.264 63.200 0.109 0.000 1.121 -256 S HN 0.365 nan 8.310 nan 0.000 0.479 -255 L N 2.398 123.615 121.223 -0.010 0.000 2.360 -255 L HA 0.531 4.872 4.340 0.002 0.000 0.276 -255 L C -1.251 175.658 176.870 0.064 0.000 1.121 -255 L CA 0.408 55.230 54.840 -0.030 0.000 0.845 -255 L CB -0.173 41.831 42.059 -0.092 0.000 1.143 -255 L HN 0.518 nan 8.230 nan 0.000 0.452 -254 I N 6.238 126.818 120.570 0.016 0.000 2.474 -254 I HA 0.423 4.594 4.170 0.002 0.000 0.294 -254 I C -1.115 175.065 176.117 0.105 0.000 1.005 -254 I CA -0.800 60.505 61.300 0.008 0.000 1.113 -254 I CB 1.497 39.362 38.000 -0.225 0.000 1.289 -254 I HN 0.635 nan 8.210 nan 0.000 0.436 -253 Y N 3.973 124.369 120.300 0.160 0.000 2.571 -253 Y HA 0.496 5.047 4.550 0.002 0.000 0.341 -253 Y C -1.113 175.019 175.900 0.387 0.000 1.076 -253 Y CA -1.346 56.943 58.100 0.316 0.000 1.029 -253 Y CB 1.046 39.578 38.460 0.119 0.000 1.308 -253 Y HN 0.461 nan 8.280 nan 0.000 0.461 -252 N N 2.893 121.784 118.700 0.319 0.000 2.408 -252 N HA 0.147 4.888 4.740 0.002 0.000 0.257 -252 N C 0.062 175.604 175.510 0.054 0.000 1.064 -252 N CA -0.050 53.018 53.050 0.030 0.000 0.952 -252 N CB 1.217 39.606 38.487 -0.164 0.000 1.093 -252 N HN 0.919 nan 8.380 nan 0.000 0.490 -251 K N 1.816 122.179 120.400 -0.061 0.000 2.365 -251 K HA -0.032 4.289 4.320 0.002 0.000 0.199 -251 K C 0.230 176.850 176.600 0.033 0.000 1.045 -251 K CA 0.762 57.058 56.287 0.014 0.000 0.962 -251 K CB 0.469 32.922 32.500 -0.079 0.000 0.759 -251 K HN 0.504 nan 8.250 nan 0.000 0.469 -250 D N 0.388 120.786 120.400 -0.003 0.000 2.240 -250 D HA -0.018 4.623 4.640 0.002 0.000 0.206 -250 D C 1.688 177.989 176.300 0.001 0.000 0.963 -250 D CA 0.762 54.757 54.000 -0.009 0.000 0.863 -250 D CB 0.213 40.994 40.800 -0.032 0.000 0.973 -250 D HN 0.116 nan 8.370 nan 0.000 0.501 -249 L N -0.332 120.894 121.223 0.004 0.000 2.270 -249 L HA 0.152 4.493 4.340 0.002 0.000 0.210 -249 L C 0.731 177.629 176.870 0.046 0.000 1.104 -249 L CA 0.461 55.309 54.840 0.012 0.000 0.804 -249 L CB 0.600 42.656 42.059 -0.005 0.000 0.937 -249 L HN -0.103 nan 8.230 nan 0.000 0.450 -248 L N 0.072 121.354 121.223 0.099 0.000 2.492 -248 L HA 0.215 4.556 4.340 0.002 0.000 0.259 -248 L C -1.918 175.051 176.870 0.164 0.000 1.229 -248 L CA -1.051 53.856 54.840 0.112 0.000 0.903 -248 L CB 1.848 43.984 42.059 0.128 0.000 1.114 -248 L HN -0.165 nan 8.230 nan 0.000 0.494 -247 P HA -0.062 nan 4.420 nan 0.000 0.218 -247 P C -0.026 177.309 177.300 0.059 0.000 1.149 -247 P CA 1.133 64.298 63.100 0.109 0.000 0.817 -247 P CB 0.219 31.946 31.700 0.045 0.000 0.785 -246 N N 0.182 118.866 118.700 -0.027 0.000 2.800 -246 N HA 0.204 4.945 4.740 0.002 0.000 0.240 -246 N C -2.566 172.820 175.510 -0.206 0.000 1.096 -246 N CA -1.596 51.384 53.050 -0.116 0.000 0.877 -246 N CB 0.486 38.926 38.487 -0.077 0.000 1.138 -246 N HN 0.164 nan 8.380 nan 0.000 0.509 -245 P HA 0.115 nan 4.420 nan 0.000 0.266 -245 P C -2.470 174.649 177.300 -0.302 0.000 1.195 -245 P CA -0.677 62.140 63.100 -0.473 0.000 0.768 -245 P CB 0.000 31.120 31.700 -0.967 0.000 0.838 -244 P HA 0.092 nan 4.420 nan 0.000 0.271 -244 P C 0.645 177.827 177.300 -0.197 0.000 1.216 -244 P CA -0.147 62.845 63.100 -0.180 0.000 0.776 -244 P CB 0.797 32.403 31.700 -0.157 0.000 0.881 -243 K N 0.511 120.823 120.400 -0.145 0.000 2.217 -243 K HA 0.014 4.335 4.320 0.002 0.000 0.202 -243 K C 1.142 177.668 176.600 -0.123 0.000 1.051 -243 K CA 1.150 57.361 56.287 -0.128 0.000 0.952 -243 K CB -0.527 31.920 32.500 -0.090 0.000 0.736 -243 K HN 0.719 nan 8.250 nan 0.000 0.453 -242 T N -4.438 110.051 114.554 -0.108 0.000 2.893 -242 T HA 0.279 4.629 4.350 0.002 0.000 0.291 -242 T C 0.575 175.249 174.700 -0.043 0.000 1.028 -242 T CA -0.891 61.180 62.100 -0.048 0.000 0.995 -242 T CB 0.968 69.837 68.868 0.001 0.000 1.051 -242 T HN 0.129 nan 8.240 nan 0.000 0.470 -241 W N 0.982 122.253 121.300 -0.047 0.000 2.342 -241 W HA 0.019 4.680 4.660 0.002 0.000 0.297 -241 W C 2.063 178.601 176.519 0.031 0.000 1.213 -241 W CA 1.200 58.509 57.345 -0.061 0.000 1.251 -241 W CB -0.207 29.083 29.460 -0.284 0.000 1.136 -241 W HN 0.806 nan 8.180 nan 0.000 0.526 -240 E N 0.060 120.383 120.200 0.204 0.000 2.153 -240 E HA -0.204 4.146 4.350 0.002 0.000 0.194 -240 E C 1.608 178.333 176.600 0.208 0.000 0.988 -240 E CA 1.414 57.965 56.400 0.252 0.000 0.811 -240 E CB -0.492 29.290 29.700 0.137 0.000 0.746 -240 E HN 0.349 nan 8.360 nan 0.000 0.466 -239 E N -0.064 120.201 120.200 0.109 0.000 2.265 -239 E HA -0.151 4.200 4.350 0.002 0.000 0.196 -239 E C 1.754 178.381 176.600 0.044 0.000 0.996 -239 E CA 0.495 56.924 56.400 0.048 0.000 0.832 -239 E CB -0.100 29.595 29.700 -0.009 0.000 0.756 -239 E HN 0.312 nan 8.360 nan 0.000 0.491 -238 I N 0.598 121.228 120.570 0.100 0.000 2.252 -238 I HA -0.165 4.006 4.170 0.002 0.000 0.245 -238 I C -0.965 175.115 176.117 -0.062 0.000 1.102 -238 I CA 0.648 61.981 61.300 0.055 0.000 1.385 -238 I CB -0.779 37.304 38.000 0.138 0.000 1.064 -238 I HN 0.047 nan 8.210 nan 0.000 0.414 -237 P HA -0.246 nan 4.420 nan 0.000 0.215 -237 P C 1.455 178.542 177.300 -0.356 0.000 1.163 -237 P CA 2.124 64.912 63.100 -0.518 0.000 0.894 -237 P CB -0.046 31.528 31.700 -0.210 0.000 0.791 -236 A N -1.308 121.445 122.820 -0.112 0.000 2.015 -236 A HA -0.125 4.196 4.320 0.002 0.000 0.219 -236 A C 2.060 179.623 177.584 -0.036 0.000 1.163 -236 A CA 1.121 53.134 52.037 -0.040 0.000 0.646 -236 A CB -1.444 17.555 19.000 -0.001 0.000 0.806 -236 A HN 0.151 nan 8.150 nan 0.000 0.448 -235 L N -0.159 121.035 121.223 -0.048 0.000 2.313 -235 L HA 0.005 4.346 4.340 0.002 0.000 0.214 -235 L C 1.599 178.461 176.870 -0.014 0.000 1.119 -235 L CA 2.291 57.115 54.840 -0.025 0.000 0.809 -235 L CB -0.446 41.596 42.059 -0.027 0.000 0.933 -235 L HN 0.458 nan 8.230 nan 0.000 0.449 -234 D N -1.051 119.325 120.400 -0.040 0.000 2.183 -234 D HA -0.167 4.474 4.640 0.002 0.000 0.205 -234 D C 2.199 178.542 176.300 0.072 0.000 0.962 -234 D CA 0.830 54.843 54.000 0.022 0.000 0.849 -234 D CB 0.107 40.918 40.800 0.018 0.000 0.978 -234 D HN 0.178 nan 8.370 nan 0.000 0.488 -233 K N 0.304 120.742 120.400 0.063 0.000 2.009 -233 K HA -0.186 4.135 4.320 0.002 0.000 0.210 -233 K C 1.921 178.551 176.600 0.051 0.000 1.049 -233 K CA 1.471 57.811 56.287 0.089 0.000 0.929 -233 K CB -0.006 32.545 32.500 0.086 0.000 0.714 -233 K HN 0.265 nan 8.250 nan 0.000 0.440 -232 E N 0.539 120.757 120.200 0.031 0.000 2.085 -232 E HA -0.219 4.132 4.350 0.002 0.000 0.194 -232 E C 2.138 178.752 176.600 0.022 0.000 0.994 -232 E CA 1.273 57.686 56.400 0.022 0.000 0.801 -232 E CB -0.151 29.556 29.700 0.012 0.000 0.743 -232 E HN 0.281 nan 8.360 nan 0.000 0.453 -231 L N 0.732 121.971 121.223 0.026 0.000 2.156 -231 L HA -0.102 4.238 4.340 0.002 0.000 0.208 -231 L C 2.355 179.241 176.870 0.028 0.000 1.095 -231 L CA 0.609 55.464 54.840 0.025 0.000 0.770 -231 L CB -0.163 41.913 42.059 0.028 0.000 0.914 -231 L HN -0.027 nan 8.230 nan 0.000 0.439 -230 K N 0.430 120.854 120.400 0.041 0.000 2.103 -230 K HA -0.122 4.199 4.320 0.002 0.000 0.207 -230 K C 2.160 178.775 176.600 0.025 0.000 1.048 -230 K CA 1.507 57.817 56.287 0.038 0.000 0.930 -230 K CB -0.521 32.011 32.500 0.053 0.000 0.716 -230 K HN 0.278 nan 8.250 nan 0.000 0.444 -229 A N 1.339 124.174 122.820 0.024 0.000 2.024 -229 A HA -0.159 4.162 4.320 0.002 0.000 0.220 -229 A C 1.617 179.208 177.584 0.010 0.000 1.164 -229 A CA 1.482 53.529 52.037 0.016 0.000 0.643 -229 A CB -0.217 18.792 19.000 0.016 0.000 0.806 -229 A HN 0.287 nan 8.150 nan 0.000 0.451 -228 K N -1.141 119.265 120.400 0.010 0.000 2.446 -228 K HA 0.311 4.632 4.320 0.002 0.000 0.203 -228 K C 0.757 177.358 176.600 0.002 0.000 1.027 -228 K CA 0.359 56.648 56.287 0.004 0.000 1.166 -228 K CB 0.028 32.529 32.500 0.002 0.000 0.869 -228 K HN 0.562 nan 8.250 nan 0.000 0.504 -227 G N 1.975 110.778 108.800 0.005 0.000 2.221 -227 G HA2 -0.267 3.694 3.960 0.002 0.000 0.265 -227 G HA3 -0.267 3.694 3.960 0.002 0.000 0.265 -227 G C -0.156 174.745 174.900 0.002 0.000 1.041 -227 G CA 0.432 45.534 45.100 0.003 0.000 0.807 -227 G HN 0.190 nan 8.290 nan 0.000 0.502 -226 K N -1.120 119.285 120.400 0.008 0.000 2.213 -226 K HA 0.828 5.149 4.320 0.002 0.000 0.254 -226 K C -0.381 176.233 176.600 0.024 0.000 1.062 -226 K CA -0.156 56.135 56.287 0.007 0.000 0.884 -226 K CB 1.810 34.310 32.500 -0.000 0.000 1.437 -226 K HN 0.541 nan 8.250 nan 0.000 0.464 -225 S N -1.214 114.505 115.700 0.032 0.000 2.564 -225 S HA 0.546 5.017 4.470 0.002 0.000 0.274 -225 S C 0.156 174.797 174.600 0.069 0.000 1.124 -225 S CA -0.010 58.223 58.200 0.056 0.000 0.869 -225 S CB 1.736 64.971 63.200 0.059 0.000 1.105 -225 S HN 0.608 nan 8.310 nan 0.000 0.472 -224 A N 1.900 124.768 122.820 0.080 0.000 1.897 -224 A HA 0.454 4.775 4.320 0.002 0.000 0.215 -224 A C 0.571 178.226 177.584 0.119 0.000 1.181 -224 A CA 1.201 53.286 52.037 0.081 0.000 0.620 -224 A CB -0.493 18.541 19.000 0.056 0.000 0.821 -224 A HN 1.347 nan 8.150 nan 0.000 0.443 -223 L N -1.621 119.692 121.223 0.149 0.000 2.641 -223 L HA 0.639 4.980 4.340 0.002 0.000 0.261 -223 L C -1.537 175.468 176.870 0.224 0.000 0.926 -223 L CA -0.098 54.868 54.840 0.210 0.000 0.917 -223 L CB 1.593 43.788 42.059 0.228 0.000 1.361 -223 L HN 0.242 nan 8.230 nan 0.000 0.417 -222 M N 6.153 125.900 119.600 0.246 0.000 2.224 -222 M HA 0.634 5.115 4.480 0.002 0.000 0.281 -222 M C -1.454 174.981 176.300 0.225 0.000 1.025 -222 M CA -0.394 54.991 55.300 0.142 0.000 0.954 -222 M CB 1.878 34.525 32.600 0.078 0.000 1.639 -222 M HN 0.600 nan 8.290 nan 0.000 0.461 -221 F N 0.282 120.239 119.950 0.012 0.000 2.715 -221 F HA 0.635 5.163 4.527 0.001 0.000 0.318 -221 F C -0.817 174.914 175.800 -0.115 0.000 1.141 -221 F CA -1.361 56.602 58.000 -0.062 0.000 0.950 -221 F CB 0.842 39.870 39.000 0.047 0.000 1.374 -221 F HN 0.434 nan 8.300 nan 0.000 0.477 -220 N N 1.318 119.887 118.700 -0.219 0.000 2.431 -220 N HA 0.215 4.956 4.740 0.002 0.000 0.265 -220 N C -0.060 175.342 175.510 -0.182 0.000 1.184 -220 N CA -0.043 52.820 53.050 -0.312 0.000 0.943 -220 N CB 0.581 38.725 38.487 -0.571 0.000 1.080 -220 N HN 0.806 nan 8.380 nan 0.000 0.477 -219 L N 2.103 123.214 121.223 -0.187 0.000 2.607 -219 L HA 0.133 4.474 4.340 0.002 0.000 0.228 -219 L C 1.263 178.145 176.870 0.021 0.000 1.123 -219 L CA 0.147 54.924 54.840 -0.105 0.000 0.890 -219 L CB 0.090 42.041 42.059 -0.180 0.000 1.103 -219 L HN 0.480 nan 8.230 nan 0.000 0.468 -218 Q N -0.250 119.571 119.800 0.035 0.000 2.392 -218 Q HA 0.168 4.509 4.340 0.002 0.000 0.203 -218 Q C 0.019 176.098 176.000 0.132 0.000 0.917 -218 Q CA 0.523 56.363 55.803 0.062 0.000 0.939 -218 Q CB 0.679 29.442 28.738 0.043 0.000 1.063 -218 Q HN 0.252 nan 8.270 nan 0.000 0.516 -217 E N 1.074 121.418 120.200 0.238 0.000 2.216 -217 E HA 0.194 4.545 4.350 0.002 0.000 0.260 -217 E C -1.937 174.937 176.600 0.458 0.000 0.880 -217 E CA -1.902 54.703 56.400 0.341 0.000 0.765 -217 E CB 2.258 32.230 29.700 0.453 0.000 1.174 -217 E HN -0.124 nan 8.360 nan 0.000 0.417 -216 P HA -0.154 nan 4.420 nan 0.000 0.226 -216 P C 1.331 179.004 177.300 0.622 0.000 1.153 -216 P CA 0.624 64.006 63.100 0.470 0.000 0.777 -216 P CB 0.196 32.177 31.700 0.468 0.000 0.794 -215 Y N 0.561 121.018 120.300 0.262 0.000 2.228 -215 Y HA -0.222 4.329 4.550 0.001 0.000 0.285 -215 Y C 1.802 177.829 175.900 0.211 0.000 1.178 -215 Y CA 1.655 59.830 58.100 0.125 0.000 1.202 -215 Y CB -1.058 37.224 38.460 -0.298 0.000 0.974 -215 Y HN -0.183 nan 8.280 nan 0.000 0.527 -214 F N -1.436 118.722 119.950 0.347 0.000 2.569 -214 F HA -0.018 4.510 4.527 0.002 0.000 0.295 -214 F C 2.265 178.228 175.800 0.271 0.000 1.115 -214 F CA 1.230 59.401 58.000 0.284 0.000 1.450 -214 F CB -0.305 39.004 39.000 0.513 0.000 1.107 -214 F HN 0.007 nan 8.300 nan 0.000 0.563 -213 T N -3.455 111.412 114.554 0.521 0.000 3.014 -213 T HA -0.116 4.235 4.350 0.002 0.000 0.250 -213 T C 1.837 176.672 174.700 0.226 0.000 1.060 -213 T CA -0.198 62.117 62.100 0.359 0.000 1.040 -213 T CB -0.620 68.452 68.868 0.340 0.000 0.971 -213 T HN 0.455 nan 8.240 nan 0.000 0.497 -212 W N 3.401 124.787 121.300 0.143 0.000 2.302 -212 W HA -0.149 4.512 4.660 0.001 0.000 0.320 -212 W C -1.549 174.952 176.519 -0.031 0.000 1.241 -212 W CA 1.767 59.168 57.345 0.094 0.000 1.264 -212 W CB -1.199 28.405 29.460 0.239 0.000 1.154 -212 W HN 0.234 nan 8.180 nan 0.000 0.483 -211 P HA -0.208 nan 4.420 nan 0.000 0.220 -211 P C 1.688 178.826 177.300 -0.271 0.000 1.144 -211 P CA 1.552 64.536 63.100 -0.195 0.000 0.800 -211 P CB -0.506 31.171 31.700 -0.038 0.000 0.772 -210 L N -0.965 120.069 121.223 -0.315 0.000 2.162 -210 L HA 0.087 4.428 4.340 0.002 0.000 0.205 -210 L C 2.294 178.859 176.870 -0.507 0.000 1.086 -210 L CA 1.317 55.844 54.840 -0.521 0.000 0.778 -210 L CB -1.078 40.480 42.059 -0.835 0.000 0.928 -210 L HN -0.219 nan 8.230 nan 0.000 0.446 -209 I N 0.068 120.353 120.570 -0.476 0.000 2.394 -209 I HA -0.203 3.968 4.170 0.002 0.000 0.251 -209 I C 2.392 178.133 176.117 -0.627 0.000 1.136 -209 I CA 1.088 62.104 61.300 -0.473 0.000 1.425 -209 I CB -0.526 37.238 38.000 -0.392 0.000 1.079 -209 I HN 0.353 nan 8.210 nan 0.000 0.425 -208 A N 0.508 122.791 122.820 -0.896 0.000 2.072 -208 A HA 0.159 4.480 4.320 0.002 0.000 0.216 -208 A C 2.532 179.900 177.584 -0.360 0.000 1.156 -208 A CA 0.979 52.539 52.037 -0.795 0.000 0.701 -208 A CB -0.460 17.912 19.000 -1.048 0.000 0.816 -208 A HN 0.358 nan 8.150 nan 0.000 0.458 -207 A N 0.210 122.871 122.820 -0.265 0.000 1.903 -207 A HA -0.226 4.095 4.320 0.002 0.000 0.219 -207 A C 1.506 179.069 177.584 -0.035 0.000 1.191 -207 A CA 2.178 54.166 52.037 -0.082 0.000 0.638 -207 A CB -0.360 18.662 19.000 0.038 0.000 0.823 -207 A HN 0.482 nan 8.150 nan 0.000 0.451 -206 D N -3.408 116.983 120.400 -0.015 0.000 2.891 -206 D HA 0.409 5.050 4.640 0.002 0.000 0.332 -206 D C 0.568 176.850 176.300 -0.029 0.000 1.369 -206 D CA 0.761 54.744 54.000 -0.028 0.000 0.827 -206 D CB -0.213 40.563 40.800 -0.040 0.000 1.141 -206 D HN 0.585 nan 8.370 nan 0.000 0.464 -205 G N -0.693 108.086 108.800 -0.035 0.000 2.192 -205 G HA2 -0.090 3.871 3.960 0.002 0.000 0.193 -205 G HA3 -0.090 3.871 3.960 0.002 0.000 0.193 -205 G C 0.742 175.680 174.900 0.063 0.000 0.999 -205 G CA -0.283 44.830 45.100 0.023 0.000 0.659 -205 G HN 0.649 nan 8.290 nan 0.000 0.503 -204 G N 0.216 108.974 108.800 -0.071 0.000 2.491 -204 G HA2 0.666 4.627 3.960 0.002 0.000 0.242 -204 G HA3 0.666 4.627 3.960 0.002 0.000 0.242 -204 G C -0.283 174.633 174.900 0.027 0.000 1.266 -204 G CA 0.540 45.565 45.100 -0.124 0.000 0.844 -204 G HN 1.625 nan 8.290 nan 0.000 0.571 -203 Y N -1.431 118.952 120.300 0.138 0.000 2.638 -203 Y HA 0.731 5.282 4.550 0.001 0.000 0.335 -203 Y C 0.521 176.587 175.900 0.277 0.000 1.155 -203 Y CA -0.828 57.438 58.100 0.278 0.000 1.046 -203 Y CB 0.629 39.183 38.460 0.156 0.000 1.303 -203 Y HN 0.732 nan 8.280 nan 0.000 0.460 -202 A N 1.527 124.489 122.820 0.237 0.000 2.260 -202 A HA 0.383 4.704 4.320 0.002 0.000 0.208 -202 A C -0.456 176.861 177.584 -0.444 0.000 1.588 -202 A CA 0.653 52.347 52.037 -0.573 0.000 0.600 -202 A CB -0.616 17.769 19.000 -1.026 0.000 1.142 -202 A HN 0.569 nan 8.150 nan 0.000 0.494 -201 F N -0.462 119.564 119.950 0.127 0.000 2.436 -201 F HA 0.537 5.065 4.527 0.002 0.000 0.340 -201 F C 0.215 176.275 175.800 0.433 0.000 1.113 -201 F CA -0.949 57.214 58.000 0.272 0.000 1.022 -201 F CB 1.364 40.419 39.000 0.090 0.000 1.128 -201 F HN 0.122 nan 8.300 nan 0.000 0.466 -200 K N 2.677 123.391 120.400 0.524 0.000 2.412 -200 K HA 0.037 4.358 4.320 0.002 0.000 0.284 -200 K C -1.169 175.586 176.600 0.258 0.000 1.046 -200 K CA 0.073 56.465 56.287 0.175 0.000 0.999 -200 K CB -0.132 32.390 32.500 0.037 0.000 0.941 -200 K HN 0.547 nan 8.250 nan 0.000 0.474 -199 Y N 3.307 123.668 120.300 0.101 0.000 2.442 -199 Y HA 0.121 4.672 4.550 0.002 0.000 0.330 -199 Y C -0.405 175.445 175.900 -0.083 0.000 1.129 -199 Y CA 0.640 58.689 58.100 -0.086 0.000 1.365 -199 Y CB 0.621 39.000 38.460 -0.135 0.000 1.233 -199 Y HN 0.651 nan 8.280 nan 0.000 0.529 -198 E N 5.297 125.242 120.200 -0.426 0.000 2.334 -198 E HA 0.158 4.509 4.350 0.002 0.000 0.280 -198 E C -1.394 175.019 176.600 -0.311 0.000 0.899 -198 E CA -0.889 55.378 56.400 -0.220 0.000 0.813 -198 E CB 0.662 30.302 29.700 -0.100 0.000 1.318 -198 E HN 0.772 nan 8.360 nan 0.000 0.399 -197 N N 2.387 120.990 118.700 -0.161 0.000 2.586 -197 N HA -0.269 4.472 4.740 0.002 0.000 0.282 -197 N C 0.686 176.074 175.510 -0.204 0.000 1.171 -197 N CA 1.249 54.240 53.050 -0.099 0.000 0.733 -197 N CB -1.688 36.765 38.487 -0.058 0.000 0.910 -197 N HN 0.991 nan 8.380 nan 0.000 0.548 -196 G N -1.216 107.471 108.800 -0.188 0.000 2.353 -196 G HA2 -0.415 3.546 3.960 0.002 0.000 0.258 -196 G HA3 -0.415 3.546 3.960 0.002 0.000 0.258 -196 G C 0.095 174.675 174.900 -0.533 0.000 1.013 -196 G CA 1.253 46.257 45.100 -0.161 0.000 0.622 -196 G HN 0.850 nan 8.290 nan 0.000 0.535 -195 K N 0.005 119.933 120.400 -0.787 0.000 2.345 -195 K HA 0.660 4.981 4.320 0.002 0.000 0.255 -195 K C -0.874 175.336 176.600 -0.649 0.000 0.934 -195 K CA -0.945 55.017 56.287 -0.541 0.000 0.801 -195 K CB 0.683 33.025 32.500 -0.262 0.000 1.137 -195 K HN 0.109 nan 8.250 nan 0.000 0.424 -194 Y N 1.796 121.947 120.300 -0.248 0.000 2.393 -194 Y HA 0.124 4.675 4.550 0.001 0.000 0.338 -194 Y C 0.305 176.164 175.900 -0.070 0.000 1.029 -194 Y CA -0.227 57.814 58.100 -0.098 0.000 1.239 -194 Y CB 0.712 39.157 38.460 -0.025 0.000 1.170 -194 Y HN 0.501 nan 8.280 nan 0.000 0.515 -193 D N 4.325 124.825 120.400 0.168 0.000 2.316 -193 D HA 0.091 4.732 4.640 0.002 0.000 0.245 -193 D C 0.836 177.263 176.300 0.211 0.000 1.171 -193 D CA -0.179 53.903 54.000 0.136 0.000 0.856 -193 D CB 0.615 41.491 40.800 0.127 0.000 1.090 -193 D HN 0.621 nan 8.370 nan 0.000 0.476 -192 I N 0.539 121.156 120.570 0.078 0.000 3.564 -192 I HA 0.107 4.278 4.170 0.002 0.000 0.294 -192 I C 1.210 177.458 176.117 0.219 0.000 1.289 -192 I CA 0.139 61.479 61.300 0.066 0.000 1.325 -192 I CB 0.132 38.040 38.000 -0.154 0.000 1.039 -192 I HN 0.036 nan 8.210 nan 0.000 0.474 -191 K N 0.614 121.120 120.400 0.177 0.000 2.379 -191 K HA 0.076 4.397 4.320 0.002 0.000 0.194 -191 K C 0.023 176.735 176.600 0.186 0.000 1.031 -191 K CA 0.220 56.601 56.287 0.156 0.000 1.037 -191 K CB 0.250 32.812 32.500 0.103 0.000 0.824 -191 K HN 0.189 nan 8.250 nan 0.000 0.516 -190 D N 1.103 121.655 120.400 0.253 0.000 2.404 -190 D HA 0.123 4.764 4.640 0.002 0.000 0.267 -190 D C -1.068 175.440 176.300 0.347 0.000 1.194 -190 D CA -0.353 53.808 54.000 0.268 0.000 0.910 -190 D CB 0.730 41.684 40.800 0.256 0.000 1.090 -190 D HN -0.286 nan 8.370 nan 0.000 0.511 -189 V N 1.663 121.685 119.914 0.180 0.000 2.904 -189 V HA 0.655 4.776 4.120 0.002 0.000 0.305 -189 V C 1.399 177.304 176.094 -0.316 0.000 1.067 -189 V CA -0.348 61.928 62.300 -0.040 0.000 1.044 -189 V CB 1.935 33.735 31.823 -0.038 0.000 1.050 -189 V HN 0.637 nan 8.190 nan 0.000 0.475 -188 G N 1.832 110.176 108.800 -0.760 0.000 4.547 -188 G HA2 0.360 4.320 3.960 0.002 0.000 0.301 -188 G HA3 0.360 4.320 3.960 0.002 0.000 0.301 -188 G C 0.235 174.846 174.900 -0.482 0.000 1.240 -188 G CA 0.035 44.338 45.100 -1.329 0.000 0.970 -188 G HN 0.495 nan 8.290 nan 0.000 0.574 -187 V N -0.552 119.242 119.914 -0.200 0.000 3.621 -187 V HA 0.095 4.215 4.120 0.002 0.000 0.263 -187 V C 1.366 177.440 176.094 -0.034 0.000 1.272 -187 V CA 1.129 63.414 62.300 -0.025 0.000 1.080 -187 V CB 1.045 32.885 31.823 0.029 0.000 0.816 -187 V HN 0.396 nan 8.190 nan 0.000 0.451 -186 D N 0.330 120.696 120.400 -0.055 0.000 2.479 -186 D HA 0.084 4.725 4.640 0.002 0.000 0.218 -186 D C 0.630 176.916 176.300 -0.023 0.000 1.177 -186 D CA -0.156 53.828 54.000 -0.026 0.000 0.830 -186 D CB -0.004 40.790 40.800 -0.011 0.000 1.014 -186 D HN 0.604 nan 8.370 nan 0.000 0.503 -185 N N -0.488 118.188 118.700 -0.040 0.000 2.347 -185 N HA 0.223 4.964 4.740 0.002 0.000 0.253 -185 N C 1.340 176.850 175.510 -0.000 0.000 1.274 -185 N CA 0.145 53.188 53.050 -0.010 0.000 0.941 -185 N CB 0.433 38.924 38.487 0.007 0.000 1.200 -185 N HN -0.134 nan 8.380 nan 0.000 0.514 -184 A N -0.239 122.588 122.820 0.012 0.000 1.940 -184 A HA -0.040 4.281 4.320 0.002 0.000 0.219 -184 A C 2.062 179.654 177.584 0.013 0.000 1.176 -184 A CA 1.962 54.006 52.037 0.013 0.000 0.631 -184 A CB -1.754 17.253 19.000 0.012 0.000 0.814 -184 A HN 0.824 nan 8.150 nan 0.000 0.446 -183 G N -0.517 108.287 108.800 0.007 0.000 2.433 -183 G HA2 -0.021 3.940 3.960 0.002 0.000 0.216 -183 G HA3 -0.021 3.940 3.960 0.002 0.000 0.216 -183 G C 1.796 176.692 174.900 -0.007 0.000 1.186 -183 G CA 1.581 46.683 45.100 0.004 0.000 0.779 -183 G HN 0.833 nan 8.290 nan 0.000 0.543 -182 A N 0.889 123.682 122.820 -0.045 0.000 1.883 -182 A HA -0.064 4.257 4.320 0.002 0.000 0.217 -182 A C 2.308 179.874 177.584 -0.029 0.000 1.186 -182 A CA 2.074 54.068 52.037 -0.071 0.000 0.624 -182 A CB -0.421 18.542 19.000 -0.062 0.000 0.822 -182 A HN 0.382 nan 8.150 nan 0.000 0.444 -181 K N -0.435 119.964 120.400 -0.002 0.000 2.103 -181 K HA -0.131 4.190 4.320 0.002 0.000 0.207 -181 K C 2.298 178.925 176.600 0.045 0.000 1.048 -181 K CA 1.206 57.502 56.287 0.015 0.000 0.930 -181 K CB -0.333 32.179 32.500 0.020 0.000 0.716 -181 K HN 0.480 nan 8.250 nan 0.000 0.444 -180 A N 1.227 124.098 122.820 0.085 0.000 1.872 -180 A HA -0.046 4.275 4.320 0.002 0.000 0.214 -180 A C 2.431 180.156 177.584 0.235 0.000 1.187 -180 A CA 1.770 53.928 52.037 0.202 0.000 0.614 -180 A CB -1.137 17.998 19.000 0.225 0.000 0.826 -180 A HN 0.403 nan 8.150 nan 0.000 0.442 -179 G N -0.022 108.829 108.800 0.085 0.000 2.480 -179 G HA2 -0.192 3.769 3.960 0.002 0.000 0.216 -179 G HA3 -0.192 3.769 3.960 0.002 0.000 0.216 -179 G C 1.510 176.254 174.900 -0.260 0.000 1.200 -179 G CA 1.295 46.203 45.100 -0.320 0.000 0.782 -179 G HN 0.443 nan 8.290 nan 0.000 0.554 -178 L N 0.795 121.942 121.223 -0.126 0.000 2.012 -178 L HA -0.026 4.315 4.340 0.002 0.000 0.210 -178 L C 3.017 179.862 176.870 -0.042 0.000 1.073 -178 L CA 2.588 57.382 54.840 -0.077 0.000 0.748 -178 L CB -0.995 41.042 42.059 -0.036 0.000 0.891 -178 L HN 0.223 nan 8.230 nan 0.000 0.431 -177 T N -0.749 113.807 114.554 0.003 0.000 2.720 -177 T HA -0.248 4.103 4.350 0.002 0.000 0.268 -177 T C 1.646 176.362 174.700 0.025 0.000 1.037 -177 T CA 1.861 63.976 62.100 0.025 0.000 1.144 -177 T CB -0.532 68.375 68.868 0.065 0.000 0.864 -177 T HN 0.396 nan 8.240 nan 0.000 0.444 -176 F N 1.384 121.272 119.950 -0.103 0.000 2.134 -176 F HA -0.029 4.499 4.527 0.001 0.000 0.299 -176 F C 1.926 177.642 175.800 -0.140 0.000 1.097 -176 F CA 0.777 58.703 58.000 -0.124 0.000 1.264 -176 F CB -0.372 38.440 39.000 -0.314 0.000 1.001 -176 F HN 0.061 nan 8.300 nan 0.000 0.479 -175 L N -0.336 120.820 121.223 -0.112 0.000 2.056 -175 L HA -0.097 4.244 4.340 0.002 0.000 0.207 -175 L C 2.138 178.935 176.870 -0.122 0.000 1.078 -175 L CA 1.503 56.270 54.840 -0.122 0.000 0.749 -175 L CB -0.888 41.118 42.059 -0.087 0.000 0.901 -175 L HN 0.031 nan 8.230 nan 0.000 0.433 -174 V N -0.021 119.834 119.914 -0.098 0.000 2.427 -174 V HA -0.238 3.883 4.120 0.002 0.000 0.248 -174 V C 2.166 178.198 176.094 -0.102 0.000 1.051 -174 V CA 1.816 64.070 62.300 -0.078 0.000 1.048 -174 V CB -0.720 31.073 31.823 -0.050 0.000 0.666 -174 V HN 0.475 nan 8.190 nan 0.000 0.456 -173 D N 0.068 120.379 120.400 -0.148 0.000 2.144 -173 D HA -0.128 4.513 4.640 0.002 0.000 0.199 -173 D C 2.132 178.339 176.300 -0.156 0.000 0.984 -173 D CA 1.068 54.975 54.000 -0.154 0.000 0.834 -173 D CB -0.246 40.452 40.800 -0.171 0.000 0.955 -173 D HN 0.337 nan 8.370 nan 0.000 0.465 -172 L N 0.541 121.634 121.223 -0.216 0.000 2.081 -172 L HA -0.177 4.164 4.340 0.002 0.000 0.212 -172 L C 2.427 179.281 176.870 -0.027 0.000 1.080 -172 L CA 0.839 55.641 54.840 -0.064 0.000 0.754 -172 L CB -0.272 41.764 42.059 -0.039 0.000 0.893 -172 L HN 0.075 nan 8.230 nan 0.000 0.433 -171 I N -0.867 119.664 120.570 -0.065 0.000 2.277 -171 I HA -0.223 3.948 4.170 0.002 0.000 0.243 -171 I C 2.477 178.546 176.117 -0.081 0.000 1.094 -171 I CA 0.976 62.238 61.300 -0.064 0.000 1.393 -171 I CB -0.352 37.611 38.000 -0.061 0.000 1.078 -171 I HN 0.165 nan 8.210 nan 0.000 0.417 -170 K N 1.308 121.659 120.400 -0.081 0.000 2.074 -170 K HA -0.185 4.136 4.320 0.002 0.000 0.209 -170 K C 1.318 177.852 176.600 -0.110 0.000 1.048 -170 K CA 1.893 58.132 56.287 -0.080 0.000 0.926 -170 K CB -0.253 32.207 32.500 -0.066 0.000 0.713 -170 K HN 0.447 nan 8.250 nan 0.000 0.444 -169 N N 0.247 118.855 118.700 -0.152 0.000 2.383 -169 N HA 0.031 4.772 4.740 0.002 0.000 0.192 -169 N C -0.598 174.645 175.510 -0.445 0.000 1.141 -169 N CA 0.029 52.914 53.050 -0.275 0.000 0.851 -169 N CB 0.382 38.702 38.487 -0.280 0.000 0.976 -169 N HN 0.055 nan 8.380 nan 0.000 0.465 -168 K N -0.575 119.666 120.400 -0.265 0.000 3.341 -168 K HA -0.210 4.111 4.320 0.002 0.000 0.305 -168 K C -0.183 176.315 176.600 -0.170 0.000 1.270 -168 K CA 0.490 56.662 56.287 -0.191 0.000 0.897 -168 K CB -1.513 30.893 32.500 -0.156 0.000 1.264 -168 K HN 0.477 nan 8.250 nan 0.000 0.468 -167 H N -0.603 118.457 119.070 -0.018 0.000 2.524 -167 H HA 0.148 4.705 4.556 0.002 0.000 0.282 -167 H C 0.918 176.253 175.328 0.011 0.000 1.016 -167 H CA 0.988 57.038 56.048 0.004 0.000 1.270 -167 H CB 0.165 29.933 29.762 0.010 0.000 1.394 -167 H HN 0.296 nan 8.280 nan 0.000 0.568 -166 M N -0.159 119.484 119.600 0.073 0.000 2.569 -166 M HA 0.218 4.699 4.480 0.002 0.000 0.279 -166 M C -0.682 175.599 176.300 -0.032 0.000 1.253 -166 M CA -0.707 54.603 55.300 0.017 0.000 0.867 -166 M CB 2.923 35.524 32.600 0.001 0.000 1.727 -166 M HN -0.154 nan 8.290 nan 0.000 0.467 -165 N N 0.451 119.121 118.700 -0.051 0.000 2.400 -165 N HA 0.507 5.248 4.740 0.002 0.000 0.288 -165 N C 0.174 175.638 175.510 -0.076 0.000 1.024 -165 N CA 0.093 53.108 53.050 -0.057 0.000 0.894 -165 N CB 2.155 40.615 38.487 -0.045 0.000 1.173 -165 N HN 0.839 nan 8.380 nan 0.000 0.487 -164 A N 3.237 126.018 122.820 -0.065 0.000 1.972 -164 A HA -0.149 4.172 4.320 0.002 0.000 0.219 -164 A C 1.463 179.010 177.584 -0.062 0.000 1.169 -164 A CA 1.380 53.377 52.037 -0.066 0.000 0.635 -164 A CB -0.220 18.750 19.000 -0.050 0.000 0.810 -164 A HN 0.733 nan 8.150 nan 0.000 0.446 -163 D N 0.108 120.477 120.400 -0.051 0.000 2.158 -163 D HA -0.062 4.579 4.640 0.002 0.000 0.197 -163 D C 0.599 176.867 176.300 -0.053 0.000 0.995 -163 D CA 1.234 55.208 54.000 -0.042 0.000 0.846 -163 D CB -0.686 40.094 40.800 -0.033 0.000 0.941 -163 D HN 0.355 nan 8.370 nan 0.000 0.456 -162 T N 2.173 116.680 114.554 -0.077 0.000 2.800 -162 T HA 0.129 4.480 4.350 0.002 0.000 0.283 -162 T C 0.116 174.754 174.700 -0.102 0.000 0.999 -162 T CA 0.122 62.166 62.100 -0.094 0.000 1.176 -162 T CB 0.348 69.137 68.868 -0.132 0.000 0.973 -162 T HN 0.228 nan 8.240 nan 0.000 0.519 -161 D N 1.320 121.680 120.400 -0.066 0.000 2.687 -161 D HA 0.176 4.817 4.640 0.002 0.000 0.264 -161 D C 0.897 177.186 176.300 -0.019 0.000 1.091 -161 D CA -1.080 52.901 54.000 -0.032 0.000 1.123 -161 D CB 0.148 40.959 40.800 0.018 0.000 1.407 -161 D HN 0.312 nan 8.370 nan 0.000 0.591 -160 Y N 0.501 120.750 120.300 -0.085 0.000 2.081 -160 Y HA -0.252 4.299 4.550 0.002 0.000 0.280 -160 Y C 2.574 178.470 175.900 -0.007 0.000 1.163 -160 Y CA 3.450 61.510 58.100 -0.068 0.000 1.135 -160 Y CB -0.203 38.246 38.460 -0.018 0.000 0.970 -160 Y HN 0.460 nan 8.280 nan 0.000 0.498 -159 S N -0.527 115.262 115.700 0.148 0.000 2.406 -159 S HA -0.159 4.312 4.470 0.002 0.000 0.228 -159 S C 1.942 176.539 174.600 -0.005 0.000 1.020 -159 S CA 1.314 59.563 58.200 0.082 0.000 0.965 -159 S CB -0.959 62.315 63.200 0.125 0.000 0.798 -159 S HN 0.526 nan 8.310 nan 0.000 0.488 -158 I N 2.311 122.873 120.570 -0.013 0.000 2.179 -158 I HA -0.129 4.042 4.170 0.002 0.000 0.242 -158 I C 3.094 179.186 176.117 -0.042 0.000 1.088 -158 I CA 1.131 62.418 61.300 -0.022 0.000 1.357 -158 I CB -0.717 37.269 38.000 -0.023 0.000 1.051 -158 I HN 0.428 nan 8.210 nan 0.000 0.409 -157 A N 0.477 123.242 122.820 -0.091 0.000 1.835 -157 A HA -0.296 4.025 4.320 0.002 0.000 0.215 -157 A C 2.301 179.837 177.584 -0.079 0.000 1.199 -157 A CA 2.083 54.067 52.037 -0.090 0.000 0.615 -157 A CB -0.895 18.018 19.000 -0.145 0.000 0.838 -157 A HN 0.475 nan 8.150 nan 0.000 0.444 -156 E N -0.267 119.807 120.200 -0.210 0.000 2.086 -156 E HA -0.256 4.095 4.350 0.002 0.000 0.205 -156 E C 2.165 178.771 176.600 0.010 0.000 1.027 -156 E CA 1.636 57.952 56.400 -0.140 0.000 0.830 -156 E CB -0.334 29.237 29.700 -0.214 0.000 0.751 -156 E HN 0.533 nan 8.360 nan 0.000 0.456 -155 A N 1.087 123.908 122.820 0.002 0.000 1.865 -155 A HA -0.167 4.154 4.320 0.002 0.000 0.217 -155 A C 2.448 180.052 177.584 0.033 0.000 1.191 -155 A CA 2.345 54.396 52.037 0.024 0.000 0.623 -155 A CB -1.061 17.948 19.000 0.016 0.000 0.826 -155 A HN 0.472 nan 8.150 nan 0.000 0.444 -154 A N -1.296 121.545 122.820 0.035 0.000 1.883 -154 A HA -0.121 4.200 4.320 0.002 0.000 0.217 -154 A C 2.112 179.727 177.584 0.052 0.000 1.186 -154 A CA 1.778 53.837 52.037 0.036 0.000 0.624 -154 A CB -0.831 18.194 19.000 0.041 0.000 0.822 -154 A HN 0.681 nan 8.150 nan 0.000 0.444 -153 F N 1.149 121.081 119.950 -0.031 0.000 2.134 -153 F HA -0.188 4.340 4.527 0.002 0.000 0.299 -153 F C 2.055 177.834 175.800 -0.035 0.000 1.097 -153 F CA 2.180 60.163 58.000 -0.027 0.000 1.264 -153 F CB -0.336 38.644 39.000 -0.034 0.000 1.001 -153 F HN 0.316 nan 8.300 nan 0.000 0.479 -152 N N -0.276 118.496 118.700 0.120 0.000 2.459 -152 N HA -0.104 4.637 4.740 0.002 0.000 0.181 -152 N C 1.056 176.536 175.510 -0.050 0.000 1.046 -152 N CA 0.456 53.530 53.050 0.040 0.000 0.904 -152 N CB -0.059 38.469 38.487 0.068 0.000 0.964 -152 N HN 0.349 nan 8.380 nan 0.000 0.444 -151 K N 0.350 120.716 120.400 -0.056 0.000 2.444 -151 K HA 0.099 4.420 4.320 0.002 0.000 0.193 -151 K C 0.654 177.191 176.600 -0.105 0.000 1.024 -151 K CA 0.042 56.292 56.287 -0.062 0.000 1.077 -151 K CB 0.585 33.065 32.500 -0.034 0.000 0.833 -151 K HN 0.110 nan 8.250 nan 0.000 0.517 -150 G N 2.397 111.081 108.800 -0.193 0.000 2.272 -150 G HA2 -0.272 3.689 3.960 0.002 0.000 0.280 -150 G HA3 -0.272 3.689 3.960 0.002 0.000 0.280 -150 G C 0.202 175.010 174.900 -0.154 0.000 1.067 -150 G CA 0.330 45.291 45.100 -0.232 0.000 0.902 -150 G HN 0.476 nan 8.290 nan 0.000 0.500 -149 E N -1.362 118.763 120.200 -0.126 0.000 2.413 -149 E HA 0.123 4.474 4.350 0.002 0.000 0.203 -149 E C 0.997 177.578 176.600 -0.032 0.000 0.957 -149 E CA 0.627 56.992 56.400 -0.058 0.000 0.950 -149 E CB 0.769 30.453 29.700 -0.028 0.000 0.957 -149 E HN 0.320 nan 8.360 nan 0.000 0.497 -148 T N -0.974 113.559 114.554 -0.035 0.000 2.887 -148 T HA 0.477 4.828 4.350 0.002 0.000 0.288 -148 T C 0.394 175.108 174.700 0.023 0.000 1.021 -148 T CA -0.170 61.957 62.100 0.045 0.000 1.000 -148 T CB 1.720 70.669 68.868 0.135 0.000 1.034 -148 T HN 0.018 nan 8.240 nan 0.000 0.467 -147 A N 4.047 126.923 122.820 0.092 0.000 2.016 -147 A HA 0.413 4.734 4.320 0.002 0.000 0.217 -147 A C 0.755 178.548 177.584 0.349 0.000 1.162 -147 A CA 0.789 52.900 52.037 0.122 0.000 0.662 -147 A CB -0.121 18.940 19.000 0.101 0.000 0.812 -147 A HN 0.724 nan 8.150 nan 0.000 0.450 -146 M N -1.824 118.017 119.600 0.402 0.000 2.531 -146 M HA 0.451 4.932 4.480 0.002 0.000 0.286 -146 M C -0.862 175.603 176.300 0.275 0.000 1.232 -146 M CA -0.206 55.323 55.300 0.381 0.000 0.877 -146 M CB 2.614 35.315 32.600 0.168 0.000 1.726 -146 M HN 0.054 nan 8.290 nan 0.000 0.463 -145 T N 1.474 116.027 114.554 -0.002 0.000 2.868 -145 T HA 0.759 5.110 4.350 0.002 0.000 0.306 -145 T C -1.903 172.742 174.700 -0.093 0.000 1.224 -145 T CA -0.515 61.547 62.100 -0.064 0.000 1.012 -145 T CB 1.447 70.127 68.868 -0.313 0.000 1.221 -145 T HN 0.568 nan 8.240 nan 0.000 0.499 -144 I N 4.114 124.686 120.570 0.004 0.000 2.382 -144 I HA 0.524 4.695 4.170 0.002 0.000 0.286 -144 I C -0.007 176.214 176.117 0.174 0.000 1.002 -144 I CA -0.591 60.708 61.300 -0.001 0.000 1.135 -144 I CB 1.401 39.302 38.000 -0.165 0.000 1.288 -144 I HN 0.490 nan 8.210 nan 0.000 0.448 -143 N N 3.219 121.974 118.700 0.091 0.000 3.344 -143 N HA 0.628 5.369 4.740 0.002 0.000 0.296 -143 N C -0.847 174.549 175.510 -0.190 0.000 1.571 -143 N CA -0.393 52.735 53.050 0.128 0.000 0.844 -143 N CB 2.245 40.737 38.487 0.010 0.000 1.718 -143 N HN 0.586 nan 8.380 nan 0.000 0.589 -142 G N -0.269 108.053 108.800 -0.798 0.000 2.735 -142 G HA2 0.488 4.449 3.960 0.002 0.000 0.301 -142 G HA3 0.488 4.449 3.960 0.002 0.000 0.301 -142 G C -1.998 171.928 174.900 -1.623 0.000 1.279 -142 G CA -1.099 43.202 45.100 -1.333 0.000 1.019 -142 G HN 0.312 nan 8.290 nan 0.000 0.497 -141 P HA -0.162 nan 4.420 nan 0.000 0.216 -141 P C 1.513 178.119 177.300 -1.157 0.000 1.154 -141 P CA 2.137 64.129 63.100 -1.847 0.000 0.865 -141 P CB -0.059 30.982 31.700 -1.099 0.000 0.789 -140 W N -0.104 120.932 121.300 -0.441 0.000 2.331 -140 W HA -0.088 4.573 4.660 0.002 0.000 0.291 -140 W C 1.969 178.412 176.519 -0.127 0.000 1.214 -140 W CA 1.052 58.261 57.345 -0.227 0.000 1.228 -140 W CB -1.973 27.399 29.460 -0.147 0.000 1.135 -140 W HN -0.133 nan 8.180 nan 0.000 0.537 -139 A N 0.013 122.530 122.820 -0.504 0.000 2.119 -139 A HA -0.024 4.297 4.320 0.002 0.000 0.217 -139 A C 1.592 179.157 177.584 -0.031 0.000 1.153 -139 A CA 0.996 52.929 52.037 -0.172 0.000 0.692 -139 A CB -1.158 17.688 19.000 -0.257 0.000 0.799 -139 A HN 0.447 nan 8.150 nan 0.000 0.458 -138 W N -0.065 121.122 121.300 -0.188 0.000 2.402 -138 W HA -0.038 4.623 4.660 0.002 0.000 0.286 -138 W C 2.731 179.171 176.519 -0.132 0.000 1.221 -138 W CA 0.500 57.731 57.345 -0.190 0.000 1.257 -138 W CB -1.375 28.069 29.460 -0.026 0.000 1.120 -138 W HN 0.418 nan 8.180 nan 0.000 0.551 -137 S N 0.864 116.671 115.700 0.180 0.000 2.356 -137 S HA -0.186 4.285 4.470 0.002 0.000 0.223 -137 S C 1.707 176.344 174.600 0.061 0.000 1.032 -137 S CA 1.732 60.005 58.200 0.121 0.000 1.005 -137 S CB -0.366 62.887 63.200 0.090 0.000 0.867 -137 S HN 0.124 nan 8.310 nan 0.000 0.449 -136 N N 1.286 120.012 118.700 0.042 0.000 2.364 -136 N HA 0.046 4.787 4.740 0.002 0.000 0.183 -136 N C 1.523 177.028 175.510 -0.008 0.000 1.022 -136 N CA 1.002 54.068 53.050 0.026 0.000 0.883 -136 N CB -0.422 38.092 38.487 0.045 0.000 0.965 -136 N HN 0.534 nan 8.380 nan 0.000 0.438 -135 I N 0.207 120.725 120.570 -0.086 0.000 2.480 -135 I HA -0.127 4.044 4.170 0.002 0.000 0.251 -135 I C 1.410 177.469 176.117 -0.096 0.000 1.124 -135 I CA 0.658 61.844 61.300 -0.190 0.000 1.444 -135 I CB -0.091 37.543 38.000 -0.609 0.000 1.098 -135 I HN -0.112 nan 8.210 nan 0.000 0.428 -134 D N 0.770 121.163 120.400 -0.012 0.000 2.123 -134 D HA -0.168 4.472 4.640 0.002 0.000 0.196 -134 D C 2.217 178.562 176.300 0.074 0.000 0.992 -134 D CA 1.593 55.664 54.000 0.119 0.000 0.833 -134 D CB -0.318 40.560 40.800 0.131 0.000 0.954 -134 D HN 0.179 nan 8.370 nan 0.000 0.455 -133 T N -0.347 114.234 114.554 0.045 0.000 2.821 -133 T HA -0.120 4.231 4.350 0.002 0.000 0.267 -133 T C 2.005 176.721 174.700 0.028 0.000 1.046 -133 T CA 1.522 63.644 62.100 0.035 0.000 1.139 -133 T CB -0.205 68.681 68.868 0.030 0.000 0.871 -133 T HN 0.225 nan 8.240 nan 0.000 0.454 -132 S N 0.678 116.392 115.700 0.022 0.000 2.453 -132 S HA -0.028 4.442 4.470 0.002 0.000 0.231 -132 S C 1.141 175.750 174.600 0.014 0.000 1.005 -132 S CA 1.003 59.211 58.200 0.013 0.000 0.949 -132 S CB -0.274 62.931 63.200 0.008 0.000 0.774 -132 S HN 0.557 nan 8.310 nan 0.000 0.510 -131 K N -0.863 119.559 120.400 0.036 0.000 3.547 -131 K HA -0.115 4.205 4.320 0.002 0.000 0.309 -131 K C -0.314 176.307 176.600 0.034 0.000 1.324 -131 K CA 0.703 57.015 56.287 0.041 0.000 0.988 -131 K CB -2.430 30.082 32.500 0.019 0.000 1.261 -131 K HN 0.356 nan 8.250 nan 0.000 0.444 -130 V N 2.261 122.188 119.914 0.022 0.000 2.625 -130 V HA -0.114 4.007 4.120 0.002 0.000 0.305 -130 V C 0.777 176.927 176.094 0.093 0.000 1.055 -130 V CA 0.389 62.689 62.300 -0.001 0.000 1.209 -130 V CB 0.400 32.176 31.823 -0.077 0.000 0.877 -130 V HN 0.234 nan 8.190 nan 0.000 0.489 -129 N N 5.349 124.063 118.700 0.023 0.000 2.415 -129 N HA 0.219 4.960 4.740 0.002 0.000 0.250 -129 N C -0.806 174.689 175.510 -0.024 0.000 1.127 -129 N CA -0.334 52.712 53.050 -0.007 0.000 0.945 -129 N CB 0.135 38.588 38.487 -0.057 0.000 1.196 -129 N HN 0.569 nan 8.380 nan 0.000 0.499 -128 Y N 0.838 121.039 120.300 -0.165 0.000 2.446 -128 Y HA 0.852 5.403 4.550 0.002 0.000 0.338 -128 Y C 0.403 176.054 175.900 -0.415 0.000 1.055 -128 Y CA -1.640 56.315 58.100 -0.241 0.000 1.101 -128 Y CB 0.738 39.165 38.460 -0.055 0.000 1.221 -128 Y HN 0.305 nan 8.280 nan 0.000 0.460 -127 G N 1.094 109.435 108.800 -0.766 0.000 2.471 -127 G HA2 0.584 4.544 3.960 0.002 0.000 0.332 -127 G HA3 0.584 4.544 3.960 0.002 0.000 0.332 -127 G C -1.828 172.882 174.900 -0.317 0.000 1.176 -127 G CA -1.136 43.549 45.100 -0.692 0.000 0.949 -127 G HN 0.670 nan 8.290 nan 0.000 0.488 -126 V N 0.527 120.339 119.914 -0.170 0.000 2.407 -126 V HA 0.627 4.748 4.120 0.002 0.000 0.291 -126 V C 0.241 176.369 176.094 0.056 0.000 1.018 -126 V CA -0.444 61.836 62.300 -0.032 0.000 0.842 -126 V CB 1.065 32.772 31.823 -0.193 0.000 0.996 -126 V HN 0.918 nan 8.190 nan 0.000 0.426 -125 T N 3.039 117.675 114.554 0.136 0.000 2.773 -125 T HA 0.571 4.922 4.350 0.002 0.000 0.278 -125 T C -0.600 174.107 174.700 0.013 0.000 1.011 -125 T CA -0.359 61.779 62.100 0.063 0.000 1.014 -125 T CB 2.020 70.912 68.868 0.041 0.000 1.293 -125 T HN 0.434 nan 8.240 nan 0.000 0.554 -124 V N 2.604 122.504 119.914 -0.024 0.000 2.843 -124 V HA 0.369 4.490 4.120 0.002 0.000 0.305 -124 V C 0.112 176.164 176.094 -0.070 0.000 1.065 -124 V CA -0.174 62.106 62.300 -0.034 0.000 1.116 -124 V CB 0.124 31.924 31.823 -0.038 0.000 0.968 -124 V HN 0.725 nan 8.190 nan 0.000 0.487 -123 L N 8.797 129.986 121.223 -0.058 0.000 2.485 -123 L HA 0.253 4.594 4.340 0.002 0.000 0.275 -123 L C -1.766 175.025 176.870 -0.133 0.000 1.207 -123 L CA -1.170 53.611 54.840 -0.098 0.000 0.855 -123 L CB 0.060 42.109 42.059 -0.017 0.000 1.114 -123 L HN 0.568 nan 8.230 nan 0.000 0.485 -122 P HA 0.024 nan 4.420 nan 0.000 0.268 -122 P C -0.507 176.776 177.300 -0.028 0.000 1.208 -122 P CA -0.358 62.551 63.100 -0.318 0.000 0.777 -122 P CB 0.224 31.440 31.700 -0.807 0.000 0.875 -121 T N -0.774 113.807 114.554 0.045 0.000 2.899 -121 T HA 0.526 4.877 4.350 0.002 0.000 0.284 -121 T C -0.555 174.351 174.700 0.343 0.000 1.004 -121 T CA -0.408 61.785 62.100 0.154 0.000 1.043 -121 T CB 0.455 69.350 68.868 0.046 0.000 1.013 -121 T HN 0.271 nan 8.240 nan 0.000 0.518 -120 F N 1.140 121.127 119.950 0.061 0.000 2.540 -120 F HA 0.486 5.014 4.527 0.001 0.000 0.317 -120 F C 0.454 176.188 175.800 -0.109 0.000 1.104 -120 F CA -1.745 56.211 58.000 -0.073 0.000 0.913 -120 F CB 1.570 40.430 39.000 -0.235 0.000 1.170 -120 F HN 0.849 nan 8.300 nan 0.000 0.450 -119 K N 4.291 124.204 120.400 -0.811 0.000 3.213 -119 K HA -0.214 4.107 4.320 0.002 0.000 0.266 -119 K C 0.950 177.385 176.600 -0.273 0.000 0.911 -119 K CA 0.972 56.909 56.287 -0.583 0.000 0.684 -119 K CB -1.618 30.432 32.500 -0.750 0.000 1.402 -119 K HN 1.336 nan 8.250 nan 0.000 0.465 -118 G N -0.537 108.168 108.800 -0.159 0.000 2.168 -118 G HA2 -0.323 3.638 3.960 0.002 0.000 0.263 -118 G HA3 -0.323 3.638 3.960 0.002 0.000 0.263 -118 G C -0.141 174.720 174.900 -0.066 0.000 0.977 -118 G CA 0.570 45.616 45.100 -0.091 0.000 0.659 -118 G HN 0.384 nan 8.290 nan 0.000 0.533 -117 Q N 0.260 120.022 119.800 -0.063 0.000 2.274 -117 Q HA 0.450 4.791 4.340 0.002 0.000 0.260 -117 Q C -2.553 173.458 176.000 0.018 0.000 0.974 -117 Q CA -2.057 53.727 55.803 -0.032 0.000 0.876 -117 Q CB 2.122 30.829 28.738 -0.051 0.000 1.297 -117 Q HN 0.176 nan 8.270 nan 0.000 0.446 -116 P HA 0.011 nan 4.420 nan 0.000 0.267 -116 P C -0.458 176.864 177.300 0.037 0.000 1.200 -116 P CA 0.199 63.312 63.100 0.022 0.000 0.772 -116 P CB 0.544 32.244 31.700 -0.000 0.000 0.855 -115 S N 1.859 117.601 115.700 0.071 0.000 2.576 -115 S HA 0.172 4.642 4.470 0.002 0.000 0.276 -115 S C 0.307 174.902 174.600 -0.008 0.000 1.339 -115 S CA -0.318 57.914 58.200 0.054 0.000 1.039 -115 S CB 0.078 63.373 63.200 0.158 0.000 0.902 -115 S HN 0.285 nan 8.310 nan 0.000 0.516 -114 K N 2.863 123.217 120.400 -0.077 0.000 2.606 -114 K HA 0.261 4.581 4.320 0.002 0.000 0.196 -114 K C -2.650 173.924 176.600 -0.044 0.000 1.048 -114 K CA -1.744 54.500 56.287 -0.072 0.000 1.017 -114 K CB 0.886 33.314 32.500 -0.121 0.000 1.413 -114 K HN 0.402 nan 8.250 nan 0.000 0.568 -113 P HA -0.073 nan 4.420 nan 0.000 0.266 -113 P C -0.450 177.007 177.300 0.262 0.000 1.195 -113 P CA -0.060 63.098 63.100 0.097 0.000 0.768 -113 P CB 0.466 32.197 31.700 0.051 0.000 0.838 -112 F N 1.904 122.085 119.950 0.385 0.000 2.456 -112 F HA 0.093 4.621 4.527 0.001 0.000 0.358 -112 F C 0.638 176.659 175.800 0.367 0.000 1.095 -112 F CA -0.355 57.880 58.000 0.393 0.000 1.216 -112 F CB 0.448 39.715 39.000 0.446 0.000 1.125 -112 F HN -0.005 nan 8.300 nan 0.000 0.549 -111 V N 3.745 124.008 119.914 0.582 0.000 2.439 -111 V HA 0.638 4.758 4.120 0.002 0.000 0.282 -111 V C 0.457 176.790 176.094 0.398 0.000 1.039 -111 V CA -0.736 61.812 62.300 0.414 0.000 0.913 -111 V CB 1.216 33.225 31.823 0.310 0.000 0.983 -111 V HN 0.864 nan 8.190 nan 0.000 0.460 -110 G N 3.023 112.013 108.800 0.317 0.000 2.415 -110 G HA2 0.577 4.538 3.960 0.002 0.000 0.327 -110 G HA3 0.577 4.538 3.960 0.002 0.000 0.327 -110 G C -0.995 174.040 174.900 0.226 0.000 1.182 -110 G CA -0.478 44.773 45.100 0.253 0.000 0.924 -110 G HN 0.540 nan 8.290 nan 0.000 0.470 -109 V N 3.398 123.501 119.914 0.314 0.000 2.364 -109 V HA 0.212 4.333 4.120 0.002 0.000 0.272 -109 V C 0.321 176.423 176.094 0.014 0.000 1.036 -109 V CA -0.715 61.620 62.300 0.060 0.000 0.880 -109 V CB 0.977 32.701 31.823 -0.165 0.000 0.991 -109 V HN 0.697 nan 8.190 nan 0.000 0.460 -108 L N 6.069 127.276 121.223 -0.026 0.000 2.453 -108 L HA 0.463 4.804 4.340 0.002 0.000 0.272 -108 L C 0.259 177.123 176.870 -0.009 0.000 1.182 -108 L CA 1.325 56.144 54.840 -0.034 0.000 0.858 -108 L CB 0.808 42.863 42.059 -0.008 0.000 1.120 -108 L HN 0.772 nan 8.230 nan 0.000 0.474 -107 S N 3.238 118.924 115.700 -0.023 0.000 2.556 -107 S HA 0.861 5.332 4.470 0.002 0.000 0.271 -107 S C -1.040 173.538 174.600 -0.036 0.000 1.135 -107 S CA -0.392 57.743 58.200 -0.110 0.000 0.858 -107 S CB 1.755 64.681 63.200 -0.458 0.000 1.114 -107 S HN 0.909 nan 8.310 nan 0.000 0.468 -106 A N 1.357 124.147 122.820 -0.050 0.000 2.285 -106 A HA 0.814 5.135 4.320 0.002 0.000 0.310 -106 A C 0.233 177.890 177.584 0.122 0.000 1.266 -106 A CA -0.506 51.364 52.037 -0.278 0.000 0.832 -106 A CB 0.413 19.041 19.000 -0.620 0.000 1.163 -106 A HN 0.977 nan 8.150 nan 0.000 0.499 -105 G N 0.908 109.791 108.800 0.138 0.000 2.471 -105 G HA2 0.617 4.578 3.960 0.002 0.000 0.332 -105 G HA3 0.617 4.578 3.960 0.002 0.000 0.332 -105 G C -0.681 174.192 174.900 -0.045 0.000 1.176 -105 G CA -0.685 44.481 45.100 0.110 0.000 0.949 -105 G HN 0.661 nan 8.290 nan 0.000 0.488 -104 I N 1.362 121.938 120.570 0.010 0.000 2.362 -104 I HA 0.150 4.321 4.170 0.002 0.000 0.289 -104 I C -0.097 176.015 176.117 -0.008 0.000 0.994 -104 I CA -0.965 60.328 61.300 -0.013 0.000 1.158 -104 I CB 1.690 39.717 38.000 0.045 0.000 1.315 -104 I HN 0.341 nan 8.210 nan 0.000 0.451 -103 N N 4.714 123.401 118.700 -0.021 0.000 2.359 -103 N HA -0.011 4.730 4.740 0.002 0.000 0.261 -103 N C 0.925 176.426 175.510 -0.014 0.000 1.267 -103 N CA 0.476 53.546 53.050 0.033 0.000 0.864 -103 N CB 1.415 39.904 38.487 0.004 0.000 1.063 -103 N HN 0.797 nan 8.380 nan 0.000 0.474 -102 A N 4.107 126.917 122.820 -0.016 0.000 1.972 -102 A HA -0.062 4.259 4.320 0.002 0.000 0.219 -102 A C 1.777 179.337 177.584 -0.039 0.000 1.169 -102 A CA 1.822 53.846 52.037 -0.022 0.000 0.635 -102 A CB -0.524 18.463 19.000 -0.021 0.000 0.810 -102 A HN 0.770 nan 8.150 nan 0.000 0.446 -101 A N -0.691 122.089 122.820 -0.066 0.000 2.275 -101 A HA 0.390 4.711 4.320 0.002 0.000 0.212 -101 A C 1.228 178.772 177.584 -0.068 0.000 1.201 -101 A CA 0.658 52.653 52.037 -0.070 0.000 0.843 -101 A CB -0.452 18.492 19.000 -0.094 0.000 0.873 -101 A HN 0.480 nan 8.150 nan 0.000 0.492 -100 S N 1.341 117.001 115.700 -0.067 0.000 2.505 -100 S HA 0.344 4.815 4.470 0.002 0.000 0.276 -100 S C -1.719 172.854 174.600 -0.045 0.000 1.274 -100 S CA -1.152 57.008 58.200 -0.067 0.000 1.053 -100 S CB 0.756 63.909 63.200 -0.078 0.000 0.919 -100 S HN 0.242 nan 8.310 nan 0.000 0.490 -99 P HA 0.209 nan 4.420 nan 0.000 0.255 -99 P C -0.514 176.775 177.300 -0.018 0.000 1.427 -99 P CA 0.074 63.158 63.100 -0.026 0.000 0.863 -99 P CB -0.255 31.430 31.700 -0.026 0.000 1.444 -98 N N 0.012 118.698 118.700 -0.025 0.000 2.451 -98 N HA 0.105 4.846 4.740 0.002 0.000 0.271 -98 N C 0.873 176.377 175.510 -0.009 0.000 1.410 -98 N CA -0.243 52.797 53.050 -0.017 0.000 0.884 -98 N CB 0.518 38.982 38.487 -0.038 0.000 1.332 -98 N HN 0.169 nan 8.380 nan 0.000 0.498 -97 K N 0.477 120.878 120.400 0.002 0.000 2.362 -97 K HA -0.007 4.314 4.320 0.002 0.000 0.200 -97 K C 1.091 177.716 176.600 0.042 0.000 1.046 -97 K CA 0.792 57.090 56.287 0.019 0.000 0.952 -97 K CB 0.465 32.979 32.500 0.023 0.000 0.753 -97 K HN 0.203 nan 8.250 nan 0.000 0.466 -96 E N 0.812 121.039 120.200 0.045 0.000 2.102 -96 E HA -0.004 4.347 4.350 0.002 0.000 0.190 -96 E C 2.162 178.824 176.600 0.102 0.000 0.971 -96 E CA 0.404 56.843 56.400 0.066 0.000 0.821 -96 E CB 0.023 29.757 29.700 0.057 0.000 0.777 -96 E HN 0.228 nan 8.360 nan 0.000 0.460 -95 L N 0.917 122.206 121.223 0.109 0.000 2.012 -95 L HA -0.199 4.142 4.340 0.002 0.000 0.210 -95 L C 2.636 179.556 176.870 0.084 0.000 1.073 -95 L CA 1.437 56.386 54.840 0.182 0.000 0.748 -95 L CB -0.633 41.515 42.059 0.149 0.000 0.891 -95 L HN 0.069 nan 8.230 nan 0.000 0.431 -94 A N -0.330 122.485 122.820 -0.008 0.000 1.933 -94 A HA -0.245 4.076 4.320 0.002 0.000 0.218 -94 A C 2.432 180.044 177.584 0.046 0.000 1.175 -94 A CA 1.880 53.897 52.037 -0.033 0.000 0.628 -94 A CB -0.447 18.525 19.000 -0.047 0.000 0.814 -94 A HN 0.330 nan 8.150 nan 0.000 0.444 -93 K N -0.458 119.980 120.400 0.063 0.000 2.057 -93 K HA -0.160 4.161 4.320 0.002 0.000 0.206 -93 K C 2.066 178.677 176.600 0.018 0.000 1.050 -93 K CA 1.552 57.862 56.287 0.038 0.000 0.935 -93 K CB -0.152 32.392 32.500 0.074 0.000 0.715 -93 K HN 0.633 nan 8.250 nan 0.000 0.439 -92 E N -0.429 119.851 120.200 0.134 0.000 2.152 -92 E HA -0.172 4.179 4.350 0.002 0.000 0.192 -92 E C 1.814 178.650 176.600 0.394 0.000 0.983 -92 E CA 0.581 57.129 56.400 0.247 0.000 0.818 -92 E CB -0.083 29.817 29.700 0.334 0.000 0.758 -92 E HN 0.304 nan 8.360 nan 0.000 0.467 -91 F N 0.850 120.858 119.950 0.096 0.000 2.113 -91 F HA -0.115 4.413 4.527 0.001 0.000 0.297 -91 F C 1.818 177.630 175.800 0.019 0.000 1.103 -91 F CA 1.302 59.230 58.000 -0.119 0.000 1.248 -91 F CB -0.001 38.602 39.000 -0.662 0.000 0.999 -91 F HN -0.031 nan 8.300 nan 0.000 0.475 -90 L N -0.310 120.919 121.223 0.009 0.000 2.418 -90 L HA -0.037 4.304 4.340 0.002 0.000 0.218 -90 L C 2.042 178.775 176.870 -0.227 0.000 1.125 -90 L CA 0.847 55.592 54.840 -0.159 0.000 0.835 -90 L CB -0.423 41.462 42.059 -0.290 0.000 0.953 -90 L HN 0.192 nan 8.230 nan 0.000 0.454 -89 E N -0.248 119.826 120.200 -0.210 0.000 2.127 -89 E HA -0.008 4.343 4.350 0.002 0.000 0.191 -89 E C 1.086 177.716 176.600 0.051 0.000 0.964 -89 E CA 0.438 56.705 56.400 -0.223 0.000 0.832 -89 E CB 0.241 29.616 29.700 -0.543 0.000 0.790 -89 E HN 0.417 nan 8.360 nan 0.000 0.465 -88 N N -0.795 117.929 118.700 0.040 0.000 2.220 -88 N HA 0.056 4.797 4.740 0.002 0.000 0.195 -88 N C 0.409 175.754 175.510 -0.275 0.000 1.123 -88 N CA 0.479 53.495 53.050 -0.057 0.000 0.874 -88 N CB 0.518 38.966 38.487 -0.065 0.000 0.995 -88 N HN 0.185 nan 8.380 nan 0.000 0.498 -87 Y N -0.615 119.620 120.300 -0.108 0.000 2.769 -87 Y HA 0.241 4.792 4.550 0.001 0.000 0.266 -87 Y C 1.740 177.480 175.900 -0.267 0.000 1.091 -87 Y CA -0.318 57.668 58.100 -0.189 0.000 1.272 -87 Y CB -0.188 38.128 38.460 -0.239 0.000 1.469 -87 Y HN -0.133 nan 8.280 nan 0.000 0.475 -86 L N 0.317 121.404 121.223 -0.226 0.000 2.049 -86 L HA 0.107 4.448 4.340 0.002 0.000 0.203 -86 L C 0.828 177.672 176.870 -0.043 0.000 1.074 -86 L CA 1.752 56.489 54.840 -0.172 0.000 0.749 -86 L CB -0.564 41.392 42.059 -0.171 0.000 0.907 -86 L HN 0.126 nan 8.230 nan 0.000 0.439 -85 L N 1.401 122.638 121.223 0.024 0.000 2.650 -85 L HA 0.161 4.502 4.340 0.002 0.000 0.239 -85 L C -0.061 176.827 176.870 0.029 0.000 1.412 -85 L CA -0.057 54.828 54.840 0.075 0.000 1.219 -85 L CB -1.381 40.809 42.059 0.219 0.000 1.534 -85 L HN 0.391 nan 8.230 nan 0.000 0.430 -84 T N -6.359 108.169 114.554 -0.043 0.000 2.907 -84 T HA 0.279 4.630 4.350 0.002 0.000 0.292 -84 T C 0.727 175.323 174.700 -0.174 0.000 1.043 -84 T CA -0.928 61.122 62.100 -0.085 0.000 1.003 -84 T CB 2.046 70.856 68.868 -0.097 0.000 1.084 -84 T HN 0.048 nan 8.240 nan 0.000 0.483 -83 D N 0.987 121.263 120.400 -0.206 0.000 2.126 -83 D HA -0.198 4.443 4.640 0.002 0.000 0.190 -83 D C 1.593 177.608 176.300 -0.475 0.000 1.001 -83 D CA 1.748 55.479 54.000 -0.449 0.000 0.841 -83 D CB -0.137 40.515 40.800 -0.248 0.000 0.949 -83 D HN 0.883 nan 8.370 nan 0.000 0.446 -82 E N 0.311 120.364 120.200 -0.246 0.000 2.130 -82 E HA -0.166 4.185 4.350 0.002 0.000 0.196 -82 E C 2.145 178.655 176.600 -0.150 0.000 0.998 -82 E CA 1.432 57.733 56.400 -0.165 0.000 0.806 -82 E CB -0.238 29.400 29.700 -0.103 0.000 0.738 -82 E HN 0.319 nan 8.360 nan 0.000 0.459 -81 G N 0.550 109.260 108.800 -0.150 0.000 2.394 -81 G HA2 -0.187 3.774 3.960 0.002 0.000 0.214 -81 G HA3 -0.187 3.774 3.960 0.002 0.000 0.214 -81 G C 1.530 176.355 174.900 -0.124 0.000 1.176 -81 G CA 0.434 45.468 45.100 -0.111 0.000 0.786 -81 G HN 0.169 nan 8.290 nan 0.000 0.533 -80 L N 0.142 121.248 121.223 -0.195 0.000 2.109 -80 L HA 0.013 4.354 4.340 0.002 0.000 0.207 -80 L C 2.733 179.525 176.870 -0.128 0.000 1.086 -80 L CA 1.295 56.054 54.840 -0.134 0.000 0.760 -80 L CB -0.410 41.592 42.059 -0.095 0.000 0.910 -80 L HN 0.362 nan 8.230 nan 0.000 0.437 -79 E N 0.749 120.715 120.200 -0.390 0.000 2.058 -79 E HA -0.257 4.094 4.350 0.002 0.000 0.194 -79 E C 2.227 178.823 176.600 -0.007 0.000 0.997 -79 E CA 1.326 57.632 56.400 -0.158 0.000 0.801 -79 E CB 0.007 29.549 29.700 -0.264 0.000 0.746 -79 E HN 0.433 nan 8.360 nan 0.000 0.450 -78 A N 0.415 123.207 122.820 -0.046 0.000 1.940 -78 A HA -0.158 4.163 4.320 0.002 0.000 0.219 -78 A C 2.351 179.937 177.584 0.003 0.000 1.176 -78 A CA 1.593 53.625 52.037 -0.008 0.000 0.631 -78 A CB -0.527 18.468 19.000 -0.009 0.000 0.814 -78 A HN 0.244 nan 8.150 nan 0.000 0.446 -77 V N 0.046 119.960 119.914 -0.001 0.000 2.346 -77 V HA -0.190 3.931 4.120 0.002 0.000 0.244 -77 V C 2.312 178.422 176.094 0.025 0.000 1.037 -77 V CA 2.110 64.407 62.300 -0.005 0.000 1.029 -77 V CB -1.012 30.798 31.823 -0.022 0.000 0.663 -77 V HN 0.694 nan 8.190 nan 0.000 0.454 -76 N N 0.299 119.049 118.700 0.084 0.000 2.223 -76 N HA -0.161 4.580 4.740 0.002 0.000 0.185 -76 N C 1.610 177.182 175.510 0.104 0.000 1.016 -76 N CA 1.094 54.217 53.050 0.121 0.000 0.863 -76 N CB -0.113 38.517 38.487 0.238 0.000 0.983 -76 N HN 0.383 nan 8.380 nan 0.000 0.429 -75 K N -0.628 119.828 120.400 0.094 0.000 2.551 -75 K HA -0.054 4.267 4.320 0.002 0.000 0.192 -75 K C 0.321 176.946 176.600 0.041 0.000 1.027 -75 K CA 0.449 56.782 56.287 0.076 0.000 1.059 -75 K CB 0.260 32.802 32.500 0.071 0.000 0.831 -75 K HN 0.312 nan 8.250 nan 0.000 0.508 -74 D N 0.354 120.765 120.400 0.018 0.000 2.995 -74 D HA 0.028 4.669 4.640 0.002 0.000 0.289 -74 D C -0.327 175.963 176.300 -0.016 0.000 1.116 -74 D CA 0.787 54.773 54.000 -0.025 0.000 0.994 -74 D CB 0.740 41.495 40.800 -0.074 0.000 1.209 -74 D HN -0.214 nan 8.370 nan 0.000 0.458 -73 K N 0.887 121.284 120.400 -0.005 0.000 2.565 -73 K HA 0.408 4.729 4.320 0.002 0.000 0.249 -73 K C -2.762 173.856 176.600 0.029 0.000 0.958 -73 K CA -2.047 54.256 56.287 0.027 0.000 0.806 -73 K CB 1.912 34.438 32.500 0.043 0.000 1.194 -73 K HN -0.036 nan 8.250 nan 0.000 0.434 -72 P HA 0.085 nan 4.420 nan 0.000 0.263 -72 P C 0.739 177.994 177.300 -0.074 0.000 1.195 -72 P CA 0.055 63.145 63.100 -0.017 0.000 0.762 -72 P CB 0.525 32.202 31.700 -0.037 0.000 0.799 -71 L N 2.265 123.482 121.223 -0.010 0.000 2.291 -71 L HA 0.057 4.398 4.340 0.002 0.000 0.214 -71 L C 1.538 178.390 176.870 -0.030 0.000 1.120 -71 L CA 1.346 56.191 54.840 0.009 0.000 0.799 -71 L CB -0.870 41.221 42.059 0.054 0.000 0.925 -71 L HN 0.737 nan 8.230 nan 0.000 0.446 -70 G N -0.579 108.157 108.800 -0.107 0.000 2.445 -70 G HA2 -0.132 3.829 3.960 0.002 0.000 0.212 -70 G HA3 -0.132 3.829 3.960 0.002 0.000 0.212 -70 G C -0.391 174.506 174.900 -0.005 0.000 1.217 -70 G CA -0.398 44.641 45.100 -0.101 0.000 1.002 -70 G HN 0.361 nan 8.290 nan 0.000 0.574 -69 A N 0.571 123.405 122.820 0.024 0.000 2.415 -69 A HA 0.688 5.009 4.320 0.002 0.000 0.309 -69 A C 1.013 178.621 177.584 0.040 0.000 1.356 -69 A CA 0.583 52.639 52.037 0.031 0.000 0.998 -69 A CB -0.496 18.522 19.000 0.031 0.000 1.145 -69 A HN 2.296 nan 8.150 nan 0.000 0.545 -68 V N 0.627 120.577 119.914 0.061 0.000 2.999 -68 V HA 0.400 4.521 4.120 0.002 0.000 0.307 -68 V C 1.270 177.446 176.094 0.136 0.000 1.084 -68 V CA 0.377 62.739 62.300 0.104 0.000 1.155 -68 V CB 0.401 32.329 31.823 0.174 0.000 0.975 -68 V HN 1.053 nan 8.190 nan 0.000 0.490 -67 A N 3.375 126.249 122.820 0.090 0.000 2.119 -67 A HA 0.198 4.519 4.320 0.002 0.000 0.217 -67 A C 1.109 178.771 177.584 0.131 0.000 1.153 -67 A CA 0.516 52.607 52.037 0.090 0.000 0.692 -67 A CB -0.471 18.451 19.000 -0.129 0.000 0.799 -67 A HN 0.986 nan 8.150 nan 0.000 0.458 -66 L N 0.768 122.051 121.223 0.099 0.000 2.315 -66 L HA 0.163 4.504 4.340 0.002 0.000 0.283 -66 L C 1.207 178.080 176.870 0.006 0.000 1.089 -66 L CA -0.075 54.767 54.840 0.005 0.000 0.833 -66 L CB 0.441 42.522 42.059 0.036 0.000 1.170 -66 L HN 0.173 nan 8.230 nan 0.000 0.442 -65 K N 1.661 121.919 120.400 -0.237 0.000 2.044 -65 K HA -0.188 4.133 4.320 0.002 0.000 0.210 -65 K C 1.853 178.431 176.600 -0.036 0.000 1.049 -65 K CA 1.871 57.969 56.287 -0.314 0.000 0.927 -65 K CB -0.208 32.044 32.500 -0.414 0.000 0.713 -65 K HN 0.894 nan 8.250 nan 0.000 0.443 -64 S N -0.265 115.431 115.700 -0.008 0.000 2.428 -64 S HA -0.132 4.339 4.470 0.002 0.000 0.230 -64 S C 1.959 176.643 174.600 0.141 0.000 1.014 -64 S CA 0.550 58.779 58.200 0.049 0.000 0.957 -64 S CB -0.351 62.863 63.200 0.024 0.000 0.784 -64 S HN 0.353 nan 8.310 nan 0.000 0.499 -63 Y N 2.126 122.437 120.300 0.018 0.000 2.476 -63 Y HA 0.285 4.836 4.550 0.001 0.000 0.283 -63 Y C 2.220 178.161 175.900 0.068 0.000 1.109 -63 Y CA 0.802 58.925 58.100 0.037 0.000 1.246 -63 Y CB -0.262 38.215 38.460 0.029 0.000 1.068 -63 Y HN 0.326 nan 8.280 nan 0.000 0.552 -62 E N 0.856 121.116 120.200 0.100 0.000 2.204 -62 E HA -0.176 4.175 4.350 0.002 0.000 0.194 -62 E C 1.698 178.326 176.600 0.046 0.000 0.989 -62 E CA 1.659 58.099 56.400 0.067 0.000 0.824 -62 E CB -0.176 29.676 29.700 0.254 0.000 0.756 -62 E HN 0.605 nan 8.360 nan 0.000 0.477 -61 E N 0.269 120.512 120.200 0.073 0.000 2.070 -61 E HA -0.230 4.121 4.350 0.002 0.000 0.197 -61 E C 1.969 178.573 176.600 0.008 0.000 1.004 -61 E CA 1.424 57.855 56.400 0.052 0.000 0.805 -61 E CB -0.109 29.625 29.700 0.057 0.000 0.744 -61 E HN 0.372 nan 8.360 nan 0.000 0.451 -60 E N 0.863 121.048 120.200 -0.026 0.000 2.006 -60 E HA -0.128 4.223 4.350 0.002 0.000 0.192 -60 E C 2.404 178.950 176.600 -0.090 0.000 0.993 -60 E CA 0.669 57.037 56.400 -0.053 0.000 0.808 -60 E CB -0.424 29.246 29.700 -0.050 0.000 0.764 -60 E HN 0.288 nan 8.360 nan 0.000 0.449 -59 L N 0.960 122.073 121.223 -0.185 0.000 2.263 -59 L HA -0.196 4.145 4.340 0.002 0.000 0.216 -59 L C 2.498 179.340 176.870 -0.046 0.000 1.111 -59 L CA 0.908 55.662 54.840 -0.144 0.000 0.773 -59 L CB -0.674 41.256 42.059 -0.216 0.000 0.906 -59 L HN 0.084 nan 8.230 nan 0.000 0.439 -58 A N -0.308 122.495 122.820 -0.029 0.000 2.019 -58 A HA -0.167 4.153 4.320 0.002 0.000 0.219 -58 A C 2.125 179.706 177.584 -0.005 0.000 1.164 -58 A CA 1.302 53.337 52.037 -0.002 0.000 0.644 -58 A CB -0.208 18.801 19.000 0.014 0.000 0.805 -58 A HN 0.193 nan 8.150 nan 0.000 0.449 -57 K N 0.718 121.110 120.400 -0.014 0.000 2.486 -57 K HA -0.010 4.310 4.320 0.002 0.000 0.194 -57 K C -0.000 176.584 176.600 -0.026 0.000 1.033 -57 K CA 0.112 56.388 56.287 -0.017 0.000 1.004 -57 K CB -0.359 32.131 32.500 -0.016 0.000 0.798 -57 K HN 0.480 nan 8.250 nan 0.000 0.495 -56 D N 1.296 121.682 120.400 -0.023 0.000 2.317 -56 D HA 0.070 4.711 4.640 0.002 0.000 0.252 -56 D C -1.777 174.490 176.300 -0.054 0.000 1.174 -56 D CA -2.333 51.643 54.000 -0.040 0.000 0.866 -56 D CB 1.599 42.393 40.800 -0.011 0.000 1.127 -56 D HN -0.179 nan 8.370 nan 0.000 0.467 -55 P HA -0.189 nan 4.420 nan 0.000 0.216 -55 P C 1.226 178.454 177.300 -0.119 0.000 1.157 -55 P CA 1.485 64.525 63.100 -0.100 0.000 0.880 -55 P CB 0.224 31.845 31.700 -0.132 0.000 0.791 -54 R N -0.849 119.511 120.500 -0.235 0.000 2.096 -54 R HA -0.139 4.202 4.340 0.002 0.000 0.240 -54 R C 2.209 178.544 176.300 0.058 0.000 1.139 -54 R CA 1.381 57.268 56.100 -0.355 0.000 0.952 -54 R CB -1.065 28.559 30.300 -1.127 0.000 0.854 -54 R HN 0.191 nan 8.270 nan 0.000 0.436 -53 I N 0.728 121.386 120.570 0.146 0.000 2.394 -53 I HA -0.168 4.003 4.170 0.002 0.000 0.251 -53 I C 2.470 178.650 176.117 0.105 0.000 1.136 -53 I CA 1.120 62.548 61.300 0.213 0.000 1.425 -53 I CB -1.307 36.781 38.000 0.148 0.000 1.079 -53 I HN 0.182 nan 8.210 nan 0.000 0.425 -52 A N 0.896 123.743 122.820 0.045 0.000 1.930 -52 A HA -0.063 4.258 4.320 0.002 0.000 0.217 -52 A C 2.554 180.154 177.584 0.027 0.000 1.175 -52 A CA 1.775 53.824 52.037 0.019 0.000 0.627 -52 A CB -0.548 18.448 19.000 -0.006 0.000 0.815 -52 A HN 0.400 nan 8.150 nan 0.000 0.443 -51 A N -1.173 121.670 122.820 0.038 0.000 1.930 -51 A HA 0.016 4.337 4.320 0.002 0.000 0.215 -51 A C 2.260 179.892 177.584 0.079 0.000 1.176 -51 A CA 2.001 54.064 52.037 0.043 0.000 0.632 -51 A CB -1.134 17.884 19.000 0.031 0.000 0.819 -51 A HN 0.401 nan 8.150 nan 0.000 0.445 -50 T N 0.366 115.005 114.554 0.141 0.000 2.635 -50 T HA -0.195 4.156 4.350 0.002 0.000 0.267 -50 T C 1.928 176.674 174.700 0.075 0.000 1.040 -50 T CA 1.835 64.016 62.100 0.135 0.000 1.156 -50 T CB -0.288 68.682 68.868 0.169 0.000 0.863 -50 T HN 0.254 nan 8.240 nan 0.000 0.430 -49 M N 0.974 120.607 119.600 0.055 0.000 2.213 -49 M HA -0.026 4.455 4.480 0.002 0.000 0.263 -49 M C 2.229 178.529 176.300 -0.000 0.000 1.062 -49 M CA 1.189 56.498 55.300 0.015 0.000 1.105 -49 M CB -1.036 31.561 32.600 -0.004 0.000 1.385 -49 M HN 0.414 nan 8.290 nan 0.000 0.417 -48 E N 0.101 120.307 120.200 0.009 0.000 2.046 -48 E HA -0.174 4.176 4.350 0.002 0.000 0.190 -48 E C 1.749 178.351 176.600 0.003 0.000 0.982 -48 E CA 0.896 57.295 56.400 -0.002 0.000 0.800 -48 E CB 0.150 29.848 29.700 -0.003 0.000 0.756 -48 E HN 0.449 nan 8.360 nan 0.000 0.449 -47 N N 0.720 119.431 118.700 0.019 0.000 2.104 -47 N HA -0.180 4.561 4.740 0.002 0.000 0.190 -47 N C 1.801 177.332 175.510 0.035 0.000 1.024 -47 N CA 1.289 54.355 53.050 0.025 0.000 0.853 -47 N CB -0.398 38.111 38.487 0.036 0.000 1.008 -47 N HN 0.221 nan 8.380 nan 0.000 0.424 -46 A N 0.999 123.843 122.820 0.041 0.000 1.948 -46 A HA -0.232 4.089 4.320 0.002 0.000 0.220 -46 A C 2.230 179.824 177.584 0.017 0.000 1.177 -46 A CA 1.702 53.768 52.037 0.048 0.000 0.636 -46 A CB -0.674 18.348 19.000 0.036 0.000 0.815 -46 A HN 0.265 nan 8.150 nan 0.000 0.449 -45 Q N -0.547 119.245 119.800 -0.014 0.000 2.224 -45 Q HA -0.051 4.290 4.340 0.002 0.000 0.203 -45 Q C 1.809 177.800 176.000 -0.016 0.000 0.970 -45 Q CA 1.836 57.617 55.803 -0.036 0.000 0.865 -45 Q CB -0.104 28.606 28.738 -0.046 0.000 0.922 -45 Q HN 0.700 nan 8.270 nan 0.000 0.445 -44 K N -1.365 119.035 120.400 -0.001 0.000 2.323 -44 K HA 0.178 4.499 4.320 0.002 0.000 0.197 -44 K C 0.908 177.514 176.600 0.010 0.000 1.043 -44 K CA 0.444 56.731 56.287 -0.001 0.000 0.997 -44 K CB 0.486 32.985 32.500 -0.002 0.000 0.807 -44 K HN 0.207 nan 8.250 nan 0.000 0.497 -43 G N 0.792 109.614 108.800 0.036 0.000 2.714 -43 G HA2 0.205 4.166 3.960 0.002 0.000 0.197 -43 G HA3 0.205 4.166 3.960 0.002 0.000 0.197 -43 G C -1.062 173.899 174.900 0.102 0.000 1.449 -43 G CA -0.193 44.946 45.100 0.065 0.000 1.065 -43 G HN 0.120 nan 8.290 nan 0.000 0.575 -42 E N -1.272 119.051 120.200 0.204 0.000 2.335 -42 E HA 0.320 4.671 4.350 0.002 0.000 0.280 -42 E C -0.621 176.244 176.600 0.441 0.000 0.918 -42 E CA -0.819 55.746 56.400 0.275 0.000 0.765 -42 E CB 1.598 31.477 29.700 0.299 0.000 1.218 -42 E HN 0.211 nan 8.360 nan 0.000 0.425 -41 I N 4.075 124.843 120.570 0.331 0.000 2.618 -41 I HA 0.056 4.227 4.170 0.002 0.000 0.284 -41 I C 0.921 177.259 176.117 0.369 0.000 1.146 -41 I CA 0.330 61.841 61.300 0.352 0.000 1.425 -41 I CB -0.004 38.145 38.000 0.248 0.000 1.383 -41 I HN 0.743 nan 8.210 nan 0.000 0.562 -40 M N 7.825 127.567 119.600 0.238 0.000 2.251 -40 M HA 0.077 4.558 4.480 0.002 0.000 0.343 -40 M C -2.009 174.280 176.300 -0.018 0.000 1.245 -40 M CA -0.982 54.150 55.300 -0.280 0.000 1.061 -40 M CB -0.190 32.138 32.600 -0.454 0.000 1.723 -40 M HN 0.300 nan 8.290 nan 0.000 0.449 -39 P HA -0.005 nan 4.420 nan 0.000 0.267 -39 P C -0.366 176.842 177.300 -0.154 0.000 1.200 -39 P CA 0.048 62.961 63.100 -0.312 0.000 0.772 -39 P CB 0.323 31.468 31.700 -0.925 0.000 0.855 -38 N N 2.543 121.256 118.700 0.021 0.000 2.214 -38 N HA 0.023 4.763 4.740 0.002 0.000 0.214 -38 N C 0.502 175.969 175.510 -0.070 0.000 1.132 -38 N CA -0.245 52.813 53.050 0.014 0.000 0.856 -38 N CB -0.680 37.916 38.487 0.182 0.000 1.020 -38 N HN 0.425 nan 8.380 nan 0.000 0.509 -37 I N -2.346 118.169 120.570 -0.093 0.000 3.112 -37 I HA 0.218 4.389 4.170 0.002 0.000 0.284 -37 I C -1.574 174.450 176.117 -0.155 0.000 1.227 -37 I CA -1.373 59.874 61.300 -0.087 0.000 1.369 -37 I CB 0.387 38.295 38.000 -0.153 0.000 1.376 -37 I HN -0.285 nan 8.210 nan 0.000 0.608 -36 P HA -0.107 nan 4.420 nan 0.000 0.218 -36 P C 1.049 178.303 177.300 -0.076 0.000 1.149 -36 P CA 1.287 64.318 63.100 -0.115 0.000 0.817 -36 P CB 0.041 31.706 31.700 -0.058 0.000 0.785 -35 Q N -1.732 118.004 119.800 -0.107 0.000 2.541 -35 Q HA -0.031 4.310 4.340 0.002 0.000 0.215 -35 Q C 1.803 177.882 176.000 0.133 0.000 0.977 -35 Q CA 0.894 56.680 55.803 -0.027 0.000 0.934 -35 Q CB -0.773 27.856 28.738 -0.181 0.000 0.988 -35 Q HN 0.187 nan 8.270 nan 0.000 0.521 -34 M N -0.850 118.788 119.600 0.062 0.000 2.159 -34 M HA -0.120 4.361 4.480 0.002 0.000 0.263 -34 M C 2.055 178.508 176.300 0.256 0.000 1.063 -34 M CA 1.166 56.545 55.300 0.132 0.000 1.110 -34 M CB -1.040 31.581 32.600 0.035 0.000 1.374 -34 M HN 0.190 nan 8.290 nan 0.000 0.411 -33 S N 0.358 116.163 115.700 0.174 0.000 2.365 -33 S HA -0.149 4.322 4.470 0.002 0.000 0.225 -33 S C 1.947 176.685 174.600 0.230 0.000 1.039 -33 S CA 1.718 60.031 58.200 0.188 0.000 1.033 -33 S CB -0.121 63.122 63.200 0.071 0.000 0.887 -33 S HN 0.553 nan 8.310 nan 0.000 0.447 -32 A N 0.003 122.938 122.820 0.192 0.000 1.968 -32 A HA 0.040 4.361 4.320 0.002 0.000 0.217 -32 A C 1.929 179.651 177.584 0.230 0.000 1.169 -32 A CA 1.363 53.519 52.037 0.198 0.000 0.638 -32 A CB -0.827 18.269 19.000 0.160 0.000 0.812 -32 A HN 0.671 nan 8.150 nan 0.000 0.446 -31 F N -0.975 119.014 119.950 0.066 0.000 2.146 -31 F HA -0.136 4.392 4.527 0.001 0.000 0.298 -31 F C 1.945 177.676 175.800 -0.115 0.000 1.096 -31 F CA 1.543 59.467 58.000 -0.126 0.000 1.275 -31 F CB -0.398 38.387 39.000 -0.359 0.000 1.008 -31 F HN 0.375 nan 8.300 nan 0.000 0.480 -30 W N -1.210 120.083 121.300 -0.012 0.000 2.409 -30 W HA -0.172 4.489 4.660 0.002 0.000 0.299 -30 W C 2.425 178.889 176.519 -0.091 0.000 1.203 -30 W CA 1.213 58.476 57.345 -0.136 0.000 1.298 -30 W CB -0.862 28.646 29.460 0.080 0.000 1.127 -30 W HN 0.145 nan 8.180 nan 0.000 0.528 -29 Y N 1.044 121.438 120.300 0.156 0.000 2.224 -29 Y HA -0.242 4.309 4.550 0.002 0.000 0.289 -29 Y C 2.298 178.202 175.900 0.007 0.000 1.146 -29 Y CA 2.098 60.244 58.100 0.077 0.000 1.182 -29 Y CB -0.707 37.792 38.460 0.065 0.000 0.983 -29 Y HN -0.082 nan 8.280 nan 0.000 0.524 -28 A N -0.730 122.106 122.820 0.026 0.000 1.877 -28 A HA -0.148 4.172 4.320 0.002 0.000 0.216 -28 A C 2.284 179.760 177.584 -0.180 0.000 1.186 -28 A CA 2.061 54.050 52.037 -0.080 0.000 0.620 -28 A CB -1.270 17.704 19.000 -0.043 0.000 0.822 -28 A HN 0.309 nan 8.150 nan 0.000 0.443 -27 V N 0.052 119.801 119.914 -0.274 0.000 2.427 -27 V HA -0.228 3.893 4.120 0.002 0.000 0.248 -27 V C 2.586 178.644 176.094 -0.059 0.000 1.051 -27 V CA 2.102 64.280 62.300 -0.203 0.000 1.048 -27 V CB -0.895 30.697 31.823 -0.386 0.000 0.666 -27 V HN 0.653 nan 8.190 nan 0.000 0.456 -26 R N 0.265 120.742 120.500 -0.037 0.000 2.094 -26 R HA -0.214 4.127 4.340 0.002 0.000 0.239 -26 R C 2.369 178.600 176.300 -0.115 0.000 1.137 -26 R CA 2.410 58.493 56.100 -0.029 0.000 0.943 -26 R CB -0.598 29.675 30.300 -0.044 0.000 0.850 -26 R HN 0.559 nan 8.270 nan 0.000 0.433 -25 T N 0.555 114.964 114.554 -0.241 0.000 2.684 -25 T HA -0.144 4.207 4.350 0.002 0.000 0.267 -25 T C 1.844 176.477 174.700 -0.112 0.000 1.036 -25 T CA 1.446 63.412 62.100 -0.223 0.000 1.148 -25 T CB -0.377 68.307 68.868 -0.305 0.000 0.863 -25 T HN 0.492 nan 8.240 nan 0.000 0.436 -24 A N 1.107 123.874 122.820 -0.088 0.000 1.858 -24 A HA -0.045 4.276 4.320 0.002 0.000 0.216 -24 A C 2.629 180.199 177.584 -0.024 0.000 1.190 -24 A CA 1.499 53.508 52.037 -0.047 0.000 0.617 -24 A CB -1.133 17.844 19.000 -0.038 0.000 0.827 -24 A HN 0.332 nan 8.150 nan 0.000 0.443 -23 V N 0.252 120.164 119.914 -0.003 0.000 2.287 -23 V HA -0.308 3.813 4.120 0.002 0.000 0.248 -23 V C 2.445 178.539 176.094 -0.000 0.000 1.053 -23 V CA 2.275 64.587 62.300 0.020 0.000 1.027 -23 V CB -0.756 31.110 31.823 0.071 0.000 0.646 -23 V HN 0.571 nan 8.190 nan 0.000 0.447 -22 I N 0.180 120.741 120.570 -0.014 0.000 2.252 -22 I HA -0.194 3.977 4.170 0.002 0.000 0.245 -22 I C 2.331 178.432 176.117 -0.027 0.000 1.102 -22 I CA 1.394 62.681 61.300 -0.021 0.000 1.385 -22 I CB -0.518 37.464 38.000 -0.029 0.000 1.064 -22 I HN 0.320 nan 8.210 nan 0.000 0.414 -21 N N 1.078 119.759 118.700 -0.032 0.000 2.104 -21 N HA -0.149 4.592 4.740 0.002 0.000 0.190 -21 N C 1.844 177.340 175.510 -0.023 0.000 1.024 -21 N CA 1.669 54.702 53.050 -0.028 0.000 0.853 -21 N CB -0.349 38.119 38.487 -0.031 0.000 1.008 -21 N HN 0.374 nan 8.380 nan 0.000 0.424 -20 A N 0.387 123.194 122.820 -0.021 0.000 1.897 -20 A HA 0.153 4.474 4.320 0.002 0.000 0.215 -20 A C 2.282 179.852 177.584 -0.024 0.000 1.181 -20 A CA 1.642 53.668 52.037 -0.019 0.000 0.620 -20 A CB -0.862 18.129 19.000 -0.015 0.000 0.821 -20 A HN 0.294 nan 8.150 nan 0.000 0.443 -19 A N 0.452 123.257 122.820 -0.024 0.000 1.902 -19 A HA -0.098 4.223 4.320 0.002 0.000 0.217 -19 A C 2.448 180.013 177.584 -0.033 0.000 1.181 -19 A CA 2.331 54.349 52.037 -0.031 0.000 0.623 -19 A CB -0.903 18.079 19.000 -0.030 0.000 0.818 -19 A HN 0.956 nan 8.150 nan 0.000 0.443 -18 S N -2.260 113.423 115.700 -0.028 0.000 2.489 -18 S HA 0.353 4.824 4.470 0.002 0.000 0.228 -18 S C 1.509 176.094 174.600 -0.025 0.000 0.995 -18 S CA 1.147 59.330 58.200 -0.027 0.000 0.934 -18 S CB -0.126 63.060 63.200 -0.024 0.000 0.771 -18 S HN 1.926 nan 8.310 nan 0.000 0.522 -17 G N 1.494 110.279 108.800 -0.024 0.000 2.176 -17 G HA2 -0.282 3.679 3.960 0.002 0.000 0.232 -17 G HA3 -0.282 3.679 3.960 0.002 0.000 0.232 -17 G C 0.888 175.778 174.900 -0.018 0.000 0.986 -17 G CA 0.233 45.320 45.100 -0.022 0.000 0.643 -17 G HN 0.466 nan 8.290 nan 0.000 0.522 -16 R N -0.160 120.329 120.500 -0.018 0.000 2.127 -16 R HA 0.028 4.369 4.340 0.002 0.000 0.238 -16 R C 1.080 177.372 176.300 -0.013 0.000 1.134 -16 R CA 1.671 57.762 56.100 -0.015 0.000 0.975 -16 R CB -0.011 30.280 30.300 -0.016 0.000 0.865 -16 R HN 0.570 nan 8.270 nan 0.000 0.447 -15 Q N -0.853 118.939 119.800 -0.014 0.000 2.340 -15 Q HA 0.154 4.495 4.340 0.002 0.000 0.276 -15 Q C -0.884 175.109 176.000 -0.011 0.000 1.048 -15 Q CA -0.555 55.241 55.803 -0.011 0.000 0.832 -15 Q CB 2.467 31.198 28.738 -0.011 0.000 1.373 -15 Q HN 0.123 nan 8.270 nan 0.000 0.409 -14 T N -2.281 112.268 114.554 -0.008 0.000 2.734 -14 T HA 0.086 4.437 4.350 0.002 0.000 0.314 -14 T C 1.435 176.131 174.700 -0.006 0.000 1.057 -14 T CA -0.454 61.642 62.100 -0.007 0.000 1.047 -14 T CB 0.437 69.304 68.868 -0.003 0.000 0.991 -14 T HN 0.337 nan 8.240 nan 0.000 0.540 -13 V N 1.613 121.524 119.914 -0.005 0.000 2.282 -13 V HA -0.200 3.921 4.120 0.002 0.000 0.249 -13 V C 2.571 178.665 176.094 0.000 0.000 1.057 -13 V CA 2.367 64.665 62.300 -0.003 0.000 1.032 -13 V CB -1.058 30.765 31.823 0.001 0.000 0.645 -13 V HN 0.872 nan 8.190 nan 0.000 0.447 -12 D N 0.006 120.408 120.400 0.003 0.000 2.103 -12 D HA -0.192 4.449 4.640 0.002 0.000 0.190 -12 D C 2.186 178.489 176.300 0.003 0.000 0.997 -12 D CA 1.700 55.703 54.000 0.005 0.000 0.833 -12 D CB -0.424 40.380 40.800 0.007 0.000 0.961 -12 D HN 0.575 nan 8.370 nan 0.000 0.447 -11 E N 0.545 120.746 120.200 0.002 0.000 2.065 -11 E HA -0.227 4.124 4.350 0.002 0.000 0.201 -11 E C 2.113 178.713 176.600 -0.000 0.000 1.016 -11 E CA 1.374 57.775 56.400 0.002 0.000 0.818 -11 E CB -0.179 29.521 29.700 0.000 0.000 0.749 -11 E HN 0.253 nan 8.360 nan 0.000 0.453 -10 A N 1.015 123.832 122.820 -0.005 0.000 1.877 -10 A HA -0.171 4.150 4.320 0.002 0.000 0.216 -10 A C 2.221 179.799 177.584 -0.010 0.000 1.186 -10 A CA 1.239 53.269 52.037 -0.011 0.000 0.620 -10 A CB -0.689 18.303 19.000 -0.014 0.000 0.822 -10 A HN 0.149 nan 8.150 nan 0.000 0.443 -9 L N -1.138 120.082 121.223 -0.006 0.000 2.141 -9 L HA -0.146 4.195 4.340 0.002 0.000 0.209 -9 L C 2.564 179.433 176.870 -0.001 0.000 1.094 -9 L CA 1.560 56.397 54.840 -0.005 0.000 0.763 -9 L CB -0.301 41.756 42.059 -0.002 0.000 0.908 -9 L HN 0.341 nan 8.230 nan 0.000 0.437 -8 K N 0.521 120.924 120.400 0.004 0.000 2.026 -8 K HA -0.194 4.127 4.320 0.002 0.000 0.208 -8 K C 1.654 178.263 176.600 0.016 0.000 1.048 -8 K CA 1.666 57.959 56.287 0.011 0.000 0.929 -8 K CB -0.198 32.310 32.500 0.013 0.000 0.713 -8 K HN 0.149 nan 8.250 nan 0.000 0.439 -7 D N -0.125 120.282 120.400 0.012 0.000 2.117 -7 D HA -0.118 4.523 4.640 0.002 0.000 0.197 -7 D C 1.749 178.059 176.300 0.017 0.000 0.987 -7 D CA 1.572 55.582 54.000 0.017 0.000 0.829 -7 D CB -0.394 40.411 40.800 0.009 0.000 0.961 -7 D HN 0.331 nan 8.370 nan 0.000 0.460 -6 A N 0.766 123.585 122.820 -0.002 0.000 1.902 -6 A HA -0.253 4.067 4.320 0.002 0.000 0.217 -6 A C 2.125 179.711 177.584 0.004 0.000 1.181 -6 A CA 2.060 54.087 52.037 -0.015 0.000 0.623 -6 A CB -0.696 18.274 19.000 -0.050 0.000 0.818 -6 A HN 0.180 nan 8.150 nan 0.000 0.443 -5 Q N 0.015 119.820 119.800 0.008 0.000 1.998 -5 Q HA -0.192 4.149 4.340 0.002 0.000 0.209 -5 Q C 1.966 177.994 176.000 0.046 0.000 1.002 -5 Q CA 3.149 58.963 55.803 0.019 0.000 0.858 -5 Q CB -1.360 27.386 28.738 0.014 0.000 0.932 -5 Q HN 0.506 nan 8.270 nan 0.000 0.416 -4 T N 0.636 115.221 114.554 0.052 0.000 2.699 -4 T HA -0.162 4.189 4.350 0.002 0.000 0.268 -4 T C 1.524 176.282 174.700 0.095 0.000 1.036 -4 T CA 1.711 63.856 62.100 0.075 0.000 1.147 -4 T CB -0.464 68.447 68.868 0.073 0.000 0.862 -4 T HN 0.510 nan 8.240 nan 0.000 0.446 -3 N N 0.845 119.596 118.700 0.085 0.000 2.135 -3 N HA 0.058 4.798 4.740 0.002 0.000 0.186 -3 N C 2.318 177.901 175.510 0.122 0.000 1.027 -3 N CA 0.806 53.918 53.050 0.104 0.000 0.849 -3 N CB -0.215 38.337 38.487 0.108 0.000 1.002 -3 N HN 0.326 nan 8.380 nan 0.000 0.425 -2 A N 1.406 124.291 122.820 0.107 0.000 1.883 -2 A HA -0.073 4.248 4.320 0.002 0.000 0.217 -2 A C 2.231 179.939 177.584 0.207 0.000 1.186 -2 A CA 1.875 53.998 52.037 0.145 0.000 0.624 -2 A CB -0.946 18.107 19.000 0.088 0.000 0.822 -2 A HN 0.358 nan 8.150 nan 0.000 0.444 -1 A N -1.633 121.289 122.820 0.169 0.000 2.209 -1 A HA 0.420 4.741 4.320 0.002 0.000 0.212 -1 A C 1.495 179.176 177.584 0.161 0.000 1.158 -1 A CA 1.258 53.410 52.037 0.192 0.000 0.742 -1 A CB -1.057 18.032 19.000 0.148 0.000 0.790 -1 A HN 2.159 nan 8.150 nan 0.000 0.472 0 A N -0.540 122.369 122.820 0.149 0.000 2.791 0 A HA -0.236 4.084 4.320 0.002 0.000 0.292 0 A C 0.937 178.608 177.584 0.145 0.000 1.487 0 A CA 1.176 53.298 52.037 0.141 0.000 0.760 0 A CB -2.324 16.743 19.000 0.111 0.000 1.031 0 A HN 0.682 nan 8.150 nan 0.000 0.503 1 E N -1.387 118.899 120.200 0.143 0.000 2.110 1 E HA -0.183 4.168 4.350 0.002 0.000 0.193 1 E C 1.437 178.102 176.600 0.108 0.000 0.988 1 E CA 1.390 57.858 56.400 0.114 0.000 0.804 1 E CB -0.114 29.646 29.700 0.101 0.000 0.745 1 E HN 0.930 nan 8.360 nan 0.000 0.458 2 F N 1.525 121.485 119.950 0.017 0.000 2.069 2 F HA -0.275 4.253 4.527 0.002 0.000 0.298 2 F C 2.337 178.128 175.800 -0.016 0.000 1.113 2 F CA 1.714 59.699 58.000 -0.025 0.000 1.214 2 F CB -0.321 38.647 39.000 -0.052 0.000 0.978 2 F HN -0.042 nan 8.300 nan 0.000 0.474 3 A N 0.203 123.167 122.820 0.241 0.000 1.908 3 A HA -0.164 4.157 4.320 0.002 0.000 0.218 3 A C 2.350 179.985 177.584 0.085 0.000 1.181 3 A CA 1.984 54.126 52.037 0.175 0.000 0.627 3 A CB -1.614 17.491 19.000 0.176 0.000 0.818 3 A HN 0.516 nan 8.150 nan 0.000 0.445 4 A N -0.885 121.973 122.820 0.064 0.000 2.019 4 A HA 0.010 4.331 4.320 0.002 0.000 0.219 4 A C 2.163 179.778 177.584 0.051 0.000 1.164 4 A CA 1.453 53.530 52.037 0.067 0.000 0.644 4 A CB -0.403 18.631 19.000 0.057 0.000 0.805 4 A HN 0.544 nan 8.150 nan 0.000 0.449 5 L N -1.297 119.901 121.223 -0.043 0.000 2.202 5 L HA 0.023 4.364 4.340 0.002 0.000 0.205 5 L C 2.336 179.117 176.870 -0.148 0.000 1.083 5 L CA 0.951 55.725 54.840 -0.110 0.000 0.790 5 L CB -0.128 41.810 42.059 -0.201 0.000 0.942 5 L HN 0.439 nan 8.230 nan 0.000 0.452 6 L N -0.360 120.742 121.223 -0.202 0.000 2.056 6 L HA -0.236 4.105 4.340 0.002 0.000 0.207 6 L C 2.423 179.288 176.870 -0.008 0.000 1.078 6 L CA 1.942 56.689 54.840 -0.155 0.000 0.749 6 L CB -0.716 41.240 42.059 -0.172 0.000 0.901 6 L HN 0.316 nan 8.230 nan 0.000 0.433 7 H N -0.697 118.353 119.070 -0.032 0.000 2.353 7 H HA -0.136 4.421 4.556 0.002 0.000 0.300 7 H C 2.376 177.696 175.328 -0.013 0.000 1.090 7 H CA 1.918 57.968 56.048 0.004 0.000 1.327 7 H CB -0.133 29.644 29.762 0.024 0.000 1.383 7 H HN 0.570 nan 8.280 nan 0.000 0.508 8 S N -0.155 115.525 115.700 -0.033 0.000 2.402 8 S HA -0.098 4.372 4.470 0.002 0.000 0.229 8 S C 2.276 176.807 174.600 -0.115 0.000 1.021 8 S CA 1.067 59.213 58.200 -0.089 0.000 0.974 8 S CB -0.533 62.657 63.200 -0.017 0.000 0.800 8 S HN 0.418 nan 8.310 nan 0.000 0.484 9 L N 0.738 121.900 121.223 -0.101 0.000 2.017 9 L HA -0.032 4.309 4.340 0.002 0.000 0.208 9 L C 2.632 179.439 176.870 -0.105 0.000 1.073 9 L CA 1.307 56.090 54.840 -0.094 0.000 0.745 9 L CB -0.685 41.318 42.059 -0.093 0.000 0.894 9 L HN 0.324 nan 8.230 nan 0.000 0.432 10 L N -0.751 120.397 121.223 -0.124 0.000 2.083 10 L HA -0.180 4.161 4.340 0.002 0.000 0.209 10 L C 2.664 179.430 176.870 -0.174 0.000 1.083 10 L CA 1.085 55.846 54.840 -0.132 0.000 0.752 10 L CB -0.626 41.367 42.059 -0.110 0.000 0.899 10 L HN 0.297 nan 8.230 nan 0.000 0.433 11 E N 0.677 120.723 120.200 -0.257 0.000 2.023 11 E HA -0.271 4.080 4.350 0.002 0.000 0.196 11 E C 2.349 178.879 176.600 -0.116 0.000 1.003 11 E CA 1.423 57.699 56.400 -0.207 0.000 0.809 11 E CB -0.296 29.269 29.700 -0.225 0.000 0.755 11 E HN 0.486 nan 8.360 nan 0.000 0.449 12 A N 1.873 124.634 122.820 -0.099 0.000 1.915 12 A HA -0.327 3.994 4.320 0.002 0.000 0.220 12 A C 1.973 179.522 177.584 -0.059 0.000 1.198 12 A CA 2.405 54.403 52.037 -0.066 0.000 0.647 12 A CB -1.011 17.953 19.000 -0.060 0.000 0.825 12 A HN 0.323 nan 8.150 nan 0.000 0.456 13 N N -1.704 116.954 118.700 -0.069 0.000 2.396 13 N HA -0.105 4.636 4.740 0.002 0.000 0.180 13 N C 1.465 176.942 175.510 -0.055 0.000 1.028 13 N CA 1.361 54.376 53.050 -0.059 0.000 0.893 13 N CB -0.373 38.076 38.487 -0.064 0.000 0.967 13 N HN 0.473 nan 8.380 nan 0.000 0.440 14 c N -1.114 117.449 118.600 -0.062 0.000 2.512 14 c HA 0.296 4.867 4.570 0.002 0.000 0.276 14 c C 2.494 176.567 174.090 -0.027 0.000 1.368 14 c CA 0.295 56.592 56.329 -0.052 0.000 1.755 14 c CB -1.273 41.198 42.510 -0.066 0.000 2.008 14 c HN 0.442 nan 8.230 nan 0.000 0.511 15 S N 0.793 116.476 115.700 -0.028 0.000 2.387 15 S HA -0.021 4.450 4.470 0.002 0.000 0.226 15 S C 1.584 176.177 174.600 -0.011 0.000 1.026 15 S CA 1.016 59.208 58.200 -0.013 0.000 0.972 15 S CB -0.264 62.926 63.200 -0.017 0.000 0.814 15 S HN 0.605 nan 8.310 nan 0.000 0.477 16 L N 0.989 122.199 121.223 -0.021 0.000 2.156 16 L HA -0.010 4.331 4.340 0.002 0.000 0.208 16 L C 2.506 179.368 176.870 -0.014 0.000 1.095 16 L CA 1.079 55.908 54.840 -0.019 0.000 0.770 16 L CB -0.405 41.638 42.059 -0.026 0.000 0.914 16 L HN 0.320 nan 8.230 nan 0.000 0.439 17 A N -0.825 121.985 122.820 -0.016 0.000 1.929 17 A HA -0.154 4.167 4.320 0.002 0.000 0.216 17 A C 2.113 179.697 177.584 -0.000 0.000 1.176 17 A CA 1.157 53.187 52.037 -0.011 0.000 0.628 17 A CB -0.567 18.422 19.000 -0.018 0.000 0.816 17 A HN 0.307 nan 8.150 nan 0.000 0.444 18 L N 0.000 121.227 121.223 0.006 0.000 2.046 18 L HA -0.065 4.276 4.340 0.002 0.000 0.208 18 L C 2.667 179.548 176.870 0.019 0.000 1.077 18 L CA 2.091 56.941 54.840 0.016 0.000 0.747 18 L CB -0.922 41.153 42.059 0.027 0.000 0.896 18 L HN 0.355 nan 8.230 nan 0.000 0.432 19 A N -0.552 122.276 122.820 0.014 0.000 1.859 19 A HA -0.301 4.020 4.320 0.002 0.000 0.217 19 A C 2.190 179.788 177.584 0.024 0.000 1.198 19 A CA 2.214 54.261 52.037 0.017 0.000 0.629 19 A CB -0.850 18.150 19.000 0.000 0.000 0.830 19 A HN 0.600 nan 8.150 nan 0.000 0.446 20 E N -0.877 119.330 120.200 0.012 0.000 2.077 20 E HA -0.192 4.159 4.350 0.002 0.000 0.193 20 E C 2.093 178.709 176.600 0.027 0.000 0.989 20 E CA 1.292 57.701 56.400 0.015 0.000 0.800 20 E CB -0.132 29.570 29.700 0.004 0.000 0.746 20 E HN 0.776 nan 8.360 nan 0.000 0.452 21 E N 0.512 120.720 120.200 0.013 0.000 2.038 21 E HA -0.188 4.163 4.350 0.002 0.000 0.195 21 E C 2.020 178.628 176.600 0.014 0.000 1.000 21 E CA 0.921 57.319 56.400 -0.004 0.000 0.803 21 E CB 0.006 29.687 29.700 -0.032 0.000 0.750 21 E HN 0.180 nan 8.360 nan 0.000 0.448 22 L N 0.849 122.097 121.223 0.042 0.000 2.131 22 L HA -0.169 4.172 4.340 0.002 0.000 0.210 22 L C 2.526 179.533 176.870 0.229 0.000 1.092 22 L CA 0.417 55.313 54.840 0.093 0.000 0.759 22 L CB -0.368 41.759 42.059 0.113 0.000 0.903 22 L HN 0.326 nan 8.230 nan 0.000 0.435 23 L N -0.007 121.348 121.223 0.219 0.000 2.093 23 L HA -0.191 4.150 4.340 0.002 0.000 0.208 23 L C 2.362 179.426 176.870 0.324 0.000 1.085 23 L CA 1.830 56.852 54.840 0.302 0.000 0.755 23 L CB -0.246 41.870 42.059 0.095 0.000 0.904 23 L HN 0.284 nan 8.230 nan 0.000 0.435 24 L N 0.057 121.378 121.223 0.163 0.000 2.007 24 L HA -0.188 4.153 4.340 0.002 0.000 0.205 24 L C 2.206 179.124 176.870 0.080 0.000 1.073 24 L CA 1.503 56.410 54.840 0.112 0.000 0.744 24 L CB -0.939 41.153 42.059 0.054 0.000 0.898 24 L HN 0.308 nan 8.230 nan 0.000 0.435 25 D N 0.075 120.494 120.400 0.031 0.000 2.420 25 D HA -0.113 4.528 4.640 0.002 0.000 0.233 25 D C 1.240 177.476 176.300 -0.106 0.000 1.017 25 D CA 1.244 55.225 54.000 -0.032 0.000 0.951 25 D CB 0.218 40.979 40.800 -0.066 0.000 0.877 25 D HN 0.377 nan 8.370 nan 0.000 0.528 26 G N -0.650 108.074 108.800 -0.126 0.000 2.561 26 G HA2 0.017 3.978 3.960 0.002 0.000 0.197 26 G HA3 0.017 3.978 3.960 0.002 0.000 0.197 26 G C 1.067 175.695 174.900 -0.454 0.000 1.250 26 G CA -0.180 44.602 45.100 -0.531 0.000 0.703 26 G HN 0.304 nan 8.290 nan 0.000 0.625 27 W N 2.287 123.582 121.300 -0.008 0.000 3.220 27 W HA 0.376 5.036 4.660 0.001 0.000 0.328 27 W C 1.151 177.667 176.519 -0.005 0.000 1.205 27 W CA -0.595 56.747 57.345 -0.005 0.000 1.773 27 W CB 0.179 29.635 29.460 -0.005 0.000 1.086 27 W HN 0.252 nan 8.180 nan 0.000 0.622 28 G N 2.143 111.060 108.800 0.195 0.000 2.594 28 G HA2 0.241 4.202 3.960 0.002 0.000 0.243 28 G HA3 0.241 4.202 3.960 0.002 0.000 0.243 28 G C -2.276 172.660 174.900 0.061 0.000 1.229 28 G CA -0.641 44.524 45.100 0.107 0.000 0.843 28 G HN -0.215 nan 8.290 nan 0.000 0.578 29 P HA 0.094 nan 4.420 nan 0.000 0.267 29 P C -1.554 175.752 177.300 0.010 0.000 1.195 29 P CA -0.596 62.520 63.100 0.026 0.000 0.773 29 P CB -0.259 31.455 31.700 0.024 0.000 0.837 37 Y N 1.091 121.237 120.300 -0.258 0.000 2.462 37 Y HA 0.277 4.827 4.550 0.001 0.000 0.293 37 Y C 0.579 176.343 175.900 -0.226 0.000 1.195 37 Y CA 0.937 58.930 58.100 -0.178 0.000 1.276 37 Y CB 0.542 38.937 38.460 -0.107 0.000 1.082 37 Y HN 0.349 nan 8.280 nan 0.000 0.514 38 S N -1.149 114.366 115.700 -0.307 0.000 2.399 38 S HA 0.320 4.791 4.470 0.002 0.000 0.198 38 S C -1.067 173.323 174.600 -0.350 0.000 1.294 38 S CA -0.681 57.392 58.200 -0.212 0.000 1.237 38 S CB -0.999 62.089 63.200 -0.187 0.000 1.286 38 S HN 0.149 nan 8.310 nan 0.000 0.404 39 Y N 0.138 120.418 120.300 -0.033 0.000 2.374 39 Y HA 0.527 5.078 4.550 0.001 0.000 0.322 39 Y C 1.037 176.852 175.900 -0.140 0.000 1.275 39 Y CA -1.430 56.620 58.100 -0.083 0.000 1.307 39 Y CB 0.461 38.896 38.460 -0.042 0.000 1.282 39 Y HN 0.369 nan 8.280 nan 0.000 0.509 40 c N 2.141 120.686 118.600 -0.093 0.000 2.514 40 c HA 0.235 4.806 4.570 0.002 0.000 0.392 40 c C 0.269 174.445 174.090 0.142 0.000 1.294 40 c CA -1.029 55.108 56.329 -0.320 0.000 1.957 40 c CB -1.346 40.323 42.510 -1.402 0.000 2.541 40 c HN 0.766 nan 8.230 nan 0.000 0.569 41 N N 1.225 120.113 118.700 0.313 0.000 2.518 41 N HA 0.236 4.977 4.740 0.002 0.000 0.283 41 N C -0.178 175.603 175.510 0.451 0.000 1.119 41 N CA -0.144 53.097 53.050 0.318 0.000 0.983 41 N CB 0.683 39.298 38.487 0.213 0.000 1.139 41 N HN 0.631 nan 8.380 nan 0.000 0.465 42 T N 1.776 116.502 114.554 0.288 0.000 2.867 42 T HA -0.042 4.309 4.350 0.002 0.000 0.290 42 T C -0.014 174.784 174.700 0.163 0.000 1.025 42 T CA 0.594 62.826 62.100 0.220 0.000 1.146 42 T CB 0.002 68.940 68.868 0.117 0.000 1.024 42 T HN 0.357 nan 8.240 nan 0.000 0.519 43 T N 2.836 117.442 114.554 0.086 0.000 2.894 43 T HA 0.537 4.888 4.350 0.002 0.000 0.309 43 T C -1.320 173.387 174.700 0.010 0.000 1.208 43 T CA -0.682 61.428 62.100 0.018 0.000 1.016 43 T CB 1.578 70.380 68.868 -0.110 0.000 1.192 43 T HN 0.438 nan 8.240 nan 0.000 0.491 44 L N 4.050 125.286 121.223 0.021 0.000 2.319 44 L HA 0.560 4.901 4.340 0.002 0.000 0.281 44 L C -0.267 176.649 176.870 0.078 0.000 1.005 44 L CA -0.479 54.372 54.840 0.018 0.000 0.828 44 L CB 0.895 42.947 42.059 -0.012 0.000 1.227 44 L HN 0.747 nan 8.230 nan 0.000 0.415 45 D N 2.649 123.123 120.400 0.123 0.000 2.414 45 D HA 0.061 4.702 4.640 0.002 0.000 0.259 45 D C 0.446 176.816 176.300 0.116 0.000 1.269 45 D CA -0.252 53.839 54.000 0.151 0.000 1.028 45 D CB 0.457 41.429 40.800 0.287 0.000 1.093 45 D HN 0.572 nan 8.370 nan 0.000 0.545 46 Q N -0.363 119.488 119.800 0.085 0.000 2.466 46 Q HA 0.074 4.415 4.340 0.002 0.000 0.210 46 Q C 1.126 177.170 176.000 0.073 0.000 0.961 46 Q CA 0.690 56.539 55.803 0.076 0.000 0.953 46 Q CB -0.295 28.474 28.738 0.051 0.000 1.011 46 Q HN 0.643 nan 8.270 nan 0.000 0.516 47 I N -0.765 119.800 120.570 -0.008 0.000 4.288 47 I HA 0.229 4.400 4.170 0.002 0.000 0.331 47 I C 0.849 176.987 176.117 0.034 0.000 1.322 47 I CA 0.438 61.652 61.300 -0.144 0.000 1.149 47 I CB 0.819 38.368 38.000 -0.751 0.000 1.112 47 I HN 0.325 nan 8.210 nan 0.000 0.403 48 G N 1.409 110.252 108.800 0.072 0.000 2.163 48 G HA2 -0.202 3.758 3.960 0.002 0.000 0.213 48 G HA3 -0.202 3.758 3.960 0.002 0.000 0.213 48 G C 0.260 175.130 174.900 -0.051 0.000 0.991 48 G CA 0.029 45.173 45.100 0.073 0.000 0.653 48 G HN 0.239 nan 8.290 nan 0.000 0.518 49 T N 0.552 115.031 114.554 -0.124 0.000 2.832 49 T HA 0.439 4.789 4.350 0.002 0.000 0.296 49 T C 0.437 174.849 174.700 -0.479 0.000 0.968 49 T CA 0.302 62.180 62.100 -0.369 0.000 1.107 49 T CB 1.966 70.489 68.868 -0.576 0.000 0.916 49 T HN 0.853 nan 8.240 nan 0.000 0.517 50 c N 5.960 124.279 118.600 -0.468 0.000 2.265 50 c HA 0.568 5.139 4.570 0.002 0.000 0.332 50 c C -0.596 173.218 174.090 -0.460 0.000 1.248 50 c CA -1.276 54.856 56.329 -0.328 0.000 1.727 50 c CB -1.472 40.924 42.510 -0.190 0.000 2.348 50 c HN 0.924 nan 8.230 nan 0.000 0.519 51 W N 8.135 129.303 121.300 -0.220 0.000 2.331 51 W HA 0.389 5.050 4.660 0.001 0.000 0.306 51 W C -1.873 174.604 176.519 -0.069 0.000 1.162 51 W CA -2.423 54.757 57.345 -0.275 0.000 1.232 51 W CB 0.519 29.500 29.460 -0.800 0.000 1.235 51 W HN 0.586 nan 8.180 nan 0.000 0.479 52 P HA 0.089 nan 4.420 nan 0.000 0.274 52 P C -0.236 177.297 177.300 0.388 0.000 1.231 52 P CA -0.625 62.614 63.100 0.233 0.000 0.790 52 P CB 0.731 32.518 31.700 0.145 0.000 0.951 53 R N 1.358 122.004 120.500 0.242 0.000 2.486 53 R HA 0.132 4.473 4.340 0.002 0.000 0.304 53 R C -0.369 176.006 176.300 0.125 0.000 0.913 53 R CA 1.070 57.269 56.100 0.165 0.000 1.124 53 R CB -0.337 29.936 30.300 -0.045 0.000 0.891 53 R HN 0.485 nan 8.270 nan 0.000 0.410 54 S N 1.936 117.724 115.700 0.147 0.000 2.595 54 S HA 0.600 5.071 4.470 0.002 0.000 0.281 54 S C -1.034 173.664 174.600 0.163 0.000 1.117 54 S CA -0.660 57.611 58.200 0.119 0.000 0.873 54 S CB 2.039 65.293 63.200 0.091 0.000 1.108 54 S HN 0.775 nan 8.310 nan 0.000 0.477 55 A N 1.273 124.196 122.820 0.173 0.000 2.425 55 A HA 0.676 4.997 4.320 0.002 0.000 0.249 55 A C 0.528 178.073 177.584 -0.064 0.000 1.084 55 A CA -0.233 51.871 52.037 0.112 0.000 0.781 55 A CB -0.235 18.825 19.000 0.100 0.000 1.019 55 A HN 1.205 nan 8.150 nan 0.000 0.490 56 A N 1.193 123.937 122.820 -0.127 0.000 2.545 56 A HA 0.467 4.788 4.320 0.002 0.000 0.253 56 A C 1.559 179.077 177.584 -0.110 0.000 1.074 56 A CA 0.901 52.846 52.037 -0.152 0.000 0.760 56 A CB -0.876 18.035 19.000 -0.148 0.000 1.005 56 A HN 2.719 nan 8.150 nan 0.000 0.506 57 G N 1.034 109.767 108.800 -0.112 0.000 2.213 57 G HA2 0.179 4.140 3.960 0.002 0.000 0.226 57 G HA3 0.179 4.140 3.960 0.002 0.000 0.226 57 G C 0.576 175.445 174.900 -0.051 0.000 0.992 57 G CA 0.223 45.280 45.100 -0.072 0.000 0.632 57 G HN 2.182 nan 8.290 nan 0.000 0.511 58 A N 0.229 123.015 122.820 -0.057 0.000 2.440 58 A HA 0.689 5.009 4.320 0.002 0.000 0.251 58 A C 0.084 177.673 177.584 0.009 0.000 1.089 58 A CA 0.332 52.363 52.037 -0.009 0.000 0.779 58 A CB 0.798 19.806 19.000 0.013 0.000 1.022 58 A HN 1.411 nan 8.150 nan 0.000 0.492 59 L N 3.886 125.141 121.223 0.055 0.000 2.282 59 L HA 0.594 4.935 4.340 0.002 0.000 0.288 59 L C -0.670 176.305 176.870 0.174 0.000 1.033 59 L CA -0.086 54.813 54.840 0.099 0.000 0.807 59 L CB 1.564 43.673 42.059 0.083 0.000 1.209 59 L HN 0.427 nan 8.230 nan 0.000 0.423 60 V N 4.533 124.591 119.914 0.239 0.000 2.495 60 V HA 0.489 4.610 4.120 0.002 0.000 0.298 60 V C -0.480 175.826 176.094 0.354 0.000 1.031 60 V CA -0.733 61.757 62.300 0.316 0.000 0.871 60 V CB 1.761 33.868 31.823 0.473 0.000 0.988 60 V HN 0.776 nan 8.190 nan 0.000 0.432 61 E N 4.623 124.952 120.200 0.216 0.000 2.191 61 E HA 0.739 5.090 4.350 0.002 0.000 0.274 61 E C -0.947 175.625 176.600 -0.047 0.000 0.948 61 E CA -0.998 55.389 56.400 -0.021 0.000 0.802 61 E CB 2.197 31.815 29.700 -0.138 0.000 1.137 61 E HN 0.368 nan 8.360 nan 0.000 0.397 62 R N 1.917 122.274 120.500 -0.240 0.000 2.698 62 R HA 0.413 4.754 4.340 0.002 0.000 0.275 62 R C -2.752 173.344 176.300 -0.340 0.000 1.001 62 R CA -2.403 53.485 56.100 -0.353 0.000 0.896 62 R CB 1.660 31.535 30.300 -0.710 0.000 1.218 62 R HN 0.406 nan 8.270 nan 0.000 0.462 63 P HA 0.106 nan 4.420 nan 0.000 0.270 63 P C -0.067 177.130 177.300 -0.172 0.000 1.223 63 P CA -0.379 62.620 63.100 -0.169 0.000 0.785 63 P CB 0.439 32.077 31.700 -0.103 0.000 0.923 64 c N 3.481 122.022 118.600 -0.099 0.000 2.665 64 c HA 0.106 4.677 4.570 0.002 0.000 0.416 64 c C -1.600 172.481 174.090 -0.014 0.000 1.305 64 c CA -0.575 55.729 56.329 -0.041 0.000 1.903 64 c CB -1.288 41.237 42.510 0.025 0.000 2.704 64 c HN 0.558 nan 8.230 nan 0.000 0.629 65 P HA -0.067 nan 4.420 nan 0.000 0.264 65 P C 0.372 177.759 177.300 0.145 0.000 1.173 65 P CA 0.774 63.895 63.100 0.035 0.000 0.761 65 P CB 0.452 32.135 31.700 -0.027 0.000 0.794 66 E N 1.357 121.666 120.200 0.182 0.000 2.299 66 E HA -0.092 4.259 4.350 0.002 0.000 0.193 66 E C -0.218 176.604 176.600 0.370 0.000 0.998 66 E CA 0.441 56.980 56.400 0.232 0.000 0.851 66 E CB 0.206 30.008 29.700 0.171 0.000 0.795 66 E HN 0.521 nan 8.360 nan 0.000 0.492 67 Y N -0.788 119.663 120.300 0.253 0.000 2.513 67 Y HA 0.416 4.967 4.550 0.001 0.000 0.340 67 Y C -1.936 174.197 175.900 0.388 0.000 1.055 67 Y CA -1.206 57.079 58.100 0.308 0.000 1.020 67 Y CB 1.483 40.094 38.460 0.251 0.000 1.301 67 Y HN -0.112 nan 8.280 nan 0.000 0.453 68 F N 5.751 125.415 119.950 -0.477 0.000 2.639 68 F HA 0.295 4.823 4.527 0.002 0.000 0.320 68 F C -0.672 174.837 175.800 -0.486 0.000 1.128 68 F CA -1.017 56.764 58.000 -0.366 0.000 1.037 68 F CB 1.122 39.995 39.000 -0.212 0.000 1.288 68 F HN 0.665 nan 8.300 nan 0.000 0.463 69 N N 4.085 122.064 118.700 -1.202 0.000 2.702 69 N HA -0.167 4.574 4.740 0.002 0.000 0.261 69 N C 0.978 176.211 175.510 -0.461 0.000 0.965 69 N CA 2.028 54.628 53.050 -0.749 0.000 0.795 69 N CB -0.907 37.134 38.487 -0.743 0.000 0.909 69 N HN 1.484 nan 8.380 nan 0.000 0.546 70 G N -3.582 104.895 108.800 -0.538 0.000 2.176 70 G HA2 -0.283 3.678 3.960 0.002 0.000 0.253 70 G HA3 -0.283 3.678 3.960 0.002 0.000 0.253 70 G C -0.050 174.707 174.900 -0.238 0.000 0.979 70 G CA 0.279 45.253 45.100 -0.210 0.000 0.641 70 G HN 0.522 nan 8.290 nan 0.000 0.530 71 V N 1.415 121.097 119.914 -0.386 0.000 2.540 71 V HA 0.518 4.639 4.120 0.002 0.000 0.302 71 V C 0.261 176.232 176.094 -0.205 0.000 1.035 71 V CA -1.301 60.848 62.300 -0.251 0.000 0.873 71 V CB 1.920 33.602 31.823 -0.235 0.000 0.992 71 V HN 0.199 nan 8.190 nan 0.000 0.428 72 K N 3.259 123.561 120.400 -0.163 0.000 2.249 72 K HA 0.483 4.803 4.320 0.002 0.000 0.280 72 K C -1.384 175.038 176.600 -0.296 0.000 1.033 72 K CA -0.197 56.066 56.287 -0.041 0.000 0.946 72 K CB 1.207 33.716 32.500 0.015 0.000 1.005 72 K HN 0.552 nan 8.250 nan 0.000 0.469 73 Y N 0.605 120.937 120.300 0.054 0.000 2.509 73 Y HA 0.105 4.656 4.550 0.002 0.000 0.341 73 Y C 0.641 176.566 175.900 0.042 0.000 1.038 73 Y CA -1.066 57.060 58.100 0.044 0.000 1.089 73 Y CB 1.165 39.653 38.460 0.047 0.000 1.241 73 Y HN 0.532 nan 8.280 nan 0.000 0.468 74 N N 0.991 119.784 118.700 0.155 0.000 2.400 74 N HA -0.041 4.700 4.740 0.002 0.000 0.267 74 N C 0.817 176.393 175.510 0.110 0.000 1.208 74 N CA 0.341 53.453 53.050 0.103 0.000 0.951 74 N CB 0.629 39.160 38.487 0.073 0.000 1.227 74 N HN 0.786 nan 8.380 nan 0.000 0.488 75 T N -0.777 113.831 114.554 0.091 0.000 3.155 75 T HA -0.134 4.217 4.350 0.002 0.000 0.264 75 T C 1.276 175.992 174.700 0.027 0.000 1.160 75 T CA 1.245 63.380 62.100 0.059 0.000 1.075 75 T CB -0.647 68.250 68.868 0.048 0.000 0.921 75 T HN 0.517 nan 8.240 nan 0.000 0.533 76 T N -1.475 113.098 114.554 0.032 0.000 3.235 76 T HA 0.396 4.747 4.350 0.002 0.000 0.251 76 T C 0.514 175.229 174.700 0.025 0.000 1.060 76 T CA -0.763 61.349 62.100 0.021 0.000 0.949 76 T CB -0.054 68.828 68.868 0.024 0.000 1.020 76 T HN 0.292 nan 8.240 nan 0.000 0.564 77 R N 0.806 121.323 120.500 0.029 0.000 2.828 77 R HA 0.656 4.997 4.340 0.002 0.000 0.264 77 R C -0.664 175.622 176.300 -0.025 0.000 1.022 77 R CA -0.830 55.290 56.100 0.033 0.000 1.021 77 R CB 0.871 31.211 30.300 0.067 0.000 1.163 77 R HN 0.143 nan 8.270 nan 0.000 0.494 78 N N -0.326 118.336 118.700 -0.064 0.000 2.292 78 N HA 0.511 5.252 4.740 0.002 0.000 0.303 78 N C -1.255 174.031 175.510 -0.373 0.000 1.140 78 N CA -0.620 52.259 53.050 -0.285 0.000 0.788 78 N CB 2.141 40.313 38.487 -0.525 0.000 1.361 78 N HN 0.611 nan 8.380 nan 0.000 0.489 79 A N 0.950 123.493 122.820 -0.461 0.000 2.282 79 A HA 0.724 5.045 4.320 0.002 0.000 0.319 79 A C -1.376 175.944 177.584 -0.439 0.000 1.121 79 A CA -0.279 51.499 52.037 -0.431 0.000 0.836 79 A CB 0.341 18.987 19.000 -0.591 0.000 1.146 79 A HN 0.608 nan 8.150 nan 0.000 0.494 80 Y N -0.129 120.200 120.300 0.048 0.000 2.391 80 Y HA 0.679 5.230 4.550 0.001 0.000 0.341 80 Y C 0.259 176.054 175.900 -0.175 0.000 0.965 80 Y CA -0.457 57.680 58.100 0.062 0.000 1.067 80 Y CB 2.028 40.489 38.460 0.001 0.000 1.199 80 Y HN 0.773 nan 8.280 nan 0.000 0.450 81 R N 2.005 122.349 120.500 -0.260 0.000 2.621 81 R HA 0.316 4.657 4.340 0.002 0.000 0.284 81 R C -1.395 174.860 176.300 -0.074 0.000 0.998 81 R CA -0.715 55.093 56.100 -0.487 0.000 0.895 81 R CB 1.882 31.271 30.300 -1.518 0.000 1.195 81 R HN 0.859 nan 8.270 nan 0.000 0.450 82 E N 3.408 123.605 120.200 -0.005 0.000 2.200 82 E HA 0.115 4.466 4.350 0.002 0.000 0.283 82 E C -1.129 175.459 176.600 -0.020 0.000 1.015 82 E CA -0.474 55.938 56.400 0.020 0.000 0.819 82 E CB 1.213 30.906 29.700 -0.012 0.000 1.081 82 E HN 0.529 nan 8.360 nan 0.000 0.397 83 c N 7.438 125.919 118.600 -0.198 0.000 2.349 83 c HA 0.336 4.907 4.570 0.002 0.000 0.348 83 c C 0.374 174.307 174.090 -0.262 0.000 1.223 83 c CA -0.661 55.374 56.329 -0.489 0.000 1.746 83 c CB -1.483 40.629 42.510 -0.664 0.000 2.360 83 c HN 0.691 nan 8.230 nan 0.000 0.533 84 L N 5.400 126.490 121.223 -0.222 0.000 2.473 84 L HA 0.143 4.484 4.340 0.002 0.000 0.268 84 L C 1.643 178.433 176.870 -0.134 0.000 1.215 84 L CA 0.180 54.940 54.840 -0.134 0.000 0.823 84 L CB 0.432 42.436 42.059 -0.093 0.000 1.099 84 L HN 0.708 nan 8.230 nan 0.000 0.483 85 E N 0.829 120.972 120.200 -0.095 0.000 2.331 85 E HA -0.203 4.148 4.350 0.002 0.000 0.199 85 E C 1.033 177.578 176.600 -0.091 0.000 1.008 85 E CA 0.991 57.338 56.400 -0.088 0.000 0.843 85 E CB 0.007 29.668 29.700 -0.066 0.000 0.761 85 E HN 0.586 nan 8.360 nan 0.000 0.507 86 N N -0.871 117.776 118.700 -0.088 0.000 2.280 86 N HA 0.027 4.768 4.740 0.002 0.000 0.192 86 N C 0.938 176.397 175.510 -0.085 0.000 1.109 86 N CA 0.822 53.826 53.050 -0.076 0.000 0.855 86 N CB 0.955 39.408 38.487 -0.057 0.000 0.974 86 N HN 0.107 nan 8.380 nan 0.000 0.482 87 G N -0.447 108.280 108.800 -0.123 0.000 2.159 87 G HA2 -0.230 3.731 3.960 0.002 0.000 0.227 87 G HA3 -0.230 3.731 3.960 0.002 0.000 0.227 87 G C -0.049 174.751 174.900 -0.167 0.000 0.986 87 G CA 0.355 45.371 45.100 -0.140 0.000 0.651 87 G HN 0.819 nan 8.290 nan 0.000 0.523 88 T N -2.569 111.886 114.554 -0.165 0.000 2.912 88 T HA 0.588 4.939 4.350 0.002 0.000 0.288 88 T C -0.031 174.557 174.700 -0.188 0.000 1.030 88 T CA -0.859 61.163 62.100 -0.129 0.000 1.020 88 T CB 1.694 70.549 68.868 -0.021 0.000 1.056 88 T HN 0.376 nan 8.240 nan 0.000 0.480 89 W N 1.609 122.888 121.300 -0.036 0.000 2.251 89 W HA 0.513 5.174 4.660 0.002 0.000 0.327 89 W C 1.007 177.473 176.519 -0.089 0.000 1.361 89 W CA -0.525 56.768 57.345 -0.087 0.000 1.234 89 W CB 0.339 29.734 29.460 -0.107 0.000 1.212 89 W HN 1.025 nan 8.180 nan 0.000 0.557 90 A N 2.145 125.052 122.820 0.144 0.000 2.507 90 A HA 0.123 4.444 4.320 0.002 0.000 0.235 90 A C 1.423 179.042 177.584 0.058 0.000 1.070 90 A CA 0.524 52.597 52.037 0.061 0.000 0.768 90 A CB 0.305 19.317 19.000 0.020 0.000 1.011 90 A HN 0.809 nan 8.150 nan 0.000 0.502 91 S N 0.986 116.705 115.700 0.032 0.000 2.458 91 S HA 0.050 4.521 4.470 0.002 0.000 0.223 91 S C 0.827 175.433 174.600 0.009 0.000 1.019 91 S CA 0.701 58.917 58.200 0.027 0.000 0.937 91 S CB -0.153 63.064 63.200 0.028 0.000 0.788 91 S HN 0.680 nan 8.310 nan 0.000 0.511 92 K N 0.846 121.249 120.400 0.004 0.000 2.185 92 K HA 0.524 4.845 4.320 0.002 0.000 0.271 92 K C -1.167 175.422 176.600 -0.019 0.000 1.013 92 K CA -0.398 55.893 56.287 0.007 0.000 0.943 92 K CB 0.605 33.112 32.500 0.011 0.000 0.998 92 K HN 0.316 nan 8.250 nan 0.000 0.468 93 I N 2.854 123.437 120.570 0.021 0.000 2.465 93 I HA 0.120 4.291 4.170 0.002 0.000 0.291 93 I C -0.192 175.958 176.117 0.056 0.000 1.014 93 I CA -0.931 60.365 61.300 -0.008 0.000 1.093 93 I CB 1.731 39.776 38.000 0.076 0.000 1.267 93 I HN 0.503 nan 8.210 nan 0.000 0.431 94 N N 5.314 124.004 118.700 -0.016 0.000 2.421 94 N HA 0.073 4.813 4.740 0.002 0.000 0.260 94 N C -0.271 175.200 175.510 -0.065 0.000 1.173 94 N CA 0.336 53.403 53.050 0.029 0.000 0.960 94 N CB 0.223 38.755 38.487 0.075 0.000 1.273 94 N HN 0.460 nan 8.380 nan 0.000 0.497 95 Y N 0.691 121.024 120.300 0.055 0.000 2.532 95 Y HA 0.001 4.552 4.550 0.002 0.000 0.283 95 Y C 2.175 178.088 175.900 0.022 0.000 1.181 95 Y CA -0.097 58.009 58.100 0.011 0.000 1.256 95 Y CB 0.150 38.557 38.460 -0.088 0.000 1.112 95 Y HN 0.566 nan 8.280 nan 0.000 0.521 96 S N -0.824 114.957 115.700 0.135 0.000 2.440 96 S HA -0.200 4.271 4.470 0.002 0.000 0.238 96 S C 1.484 176.149 174.600 0.107 0.000 1.010 96 S CA 1.130 59.393 58.200 0.105 0.000 0.972 96 S CB -0.038 63.204 63.200 0.070 0.000 0.774 96 S HN 0.380 nan 8.310 nan 0.000 0.501 97 Q N -0.072 119.804 119.800 0.126 0.000 2.319 97 Q HA 0.289 4.630 4.340 0.002 0.000 0.202 97 Q C -0.021 176.054 176.000 0.125 0.000 0.896 97 Q CA -0.028 55.849 55.803 0.124 0.000 0.942 97 Q CB -0.222 28.613 28.738 0.161 0.000 1.083 97 Q HN 0.565 nan 8.270 nan 0.000 0.510 98 c N 2.833 121.516 118.600 0.137 0.000 2.311 98 c HA 0.289 4.860 4.570 0.002 0.000 0.357 98 c C 0.829 175.089 174.090 0.283 0.000 1.086 98 c CA -0.887 55.546 56.329 0.174 0.000 1.486 98 c CB -1.560 40.990 42.510 0.067 0.000 1.974 98 c HN 0.266 nan 8.230 nan 0.000 0.508 99 E N 4.079 124.424 120.200 0.241 0.000 2.259 99 E HA 0.363 4.714 4.350 0.002 0.000 0.281 99 E C -2.212 174.487 176.600 0.166 0.000 1.027 99 E CA -1.341 55.168 56.400 0.183 0.000 0.838 99 E CB 0.856 30.613 29.700 0.094 0.000 1.066 99 E HN 0.382 nan 8.360 nan 0.000 0.401 100 P HA 0.127 nan 4.420 nan 0.000 0.272 100 P C -0.830 176.347 177.300 -0.205 0.000 1.240 100 P CA -0.056 62.783 63.100 -0.435 0.000 0.791 100 P CB 0.547 31.992 31.700 -0.426 0.000 0.978 101 I N 1.488 121.928 120.570 -0.218 0.000 2.436 101 I HA 0.243 4.414 4.170 0.002 0.000 0.289 101 I C -0.204 175.849 176.117 -0.107 0.000 1.010 101 I CA -0.545 60.690 61.300 -0.109 0.000 1.098 101 I CB 0.960 38.928 38.000 -0.053 0.000 1.266 101 I HN 0.242 nan 8.210 nan 0.000 0.434 102 L N 5.818 126.994 121.223 -0.077 0.000 3.701 102 L HA 0.635 4.976 4.340 0.002 0.000 0.182 102 L C -0.626 176.217 176.870 -0.044 0.000 1.227 102 L CA -0.307 54.492 54.840 -0.069 0.000 0.926 102 L CB -0.209 41.807 42.059 -0.072 0.000 1.561 102 L HN 0.691 nan 8.230 nan 0.000 0.672 103 D N 0.000 120.378 120.400 -0.036 0.000 6.856 103 D HA 0.000 4.641 4.640 0.002 0.000 0.175 103 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 103 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 103 D HN 0.000 nan 8.370 nan 0.000 0.683