REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n95_1_C DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGXXXX DATA SEQUENCE XXXXXXYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP IL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.566 176.600 -0.056 0.000 0.988 -369 K CA 0.000 56.255 56.287 -0.053 0.000 0.838 -369 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 -368 I N 3.010 123.539 120.570 -0.068 0.000 2.529 -368 I HA 0.093 4.263 4.170 0.001 0.000 0.284 -368 I C 0.918 177.005 176.117 -0.050 0.000 1.082 -368 I CA -0.186 61.071 61.300 -0.071 0.000 1.406 -368 I CB 0.741 38.685 38.000 -0.094 0.000 1.405 -368 I HN 0.317 nan 8.210 nan 0.000 0.548 -367 E N 5.346 125.520 120.200 -0.043 0.000 2.376 -367 E HA 0.021 4.372 4.350 0.001 0.000 0.266 -367 E C -0.285 176.298 176.600 -0.028 0.000 1.009 -367 E CA -0.012 56.370 56.400 -0.030 0.000 0.902 -367 E CB 0.756 30.442 29.700 -0.024 0.000 0.972 -367 E HN 0.483 nan 8.360 nan 0.000 0.439 -366 E N 0.548 120.736 120.200 -0.020 0.000 2.289 -366 E HA 0.281 4.632 4.350 0.001 0.000 0.278 -366 E C 0.463 177.059 176.600 -0.007 0.000 1.032 -366 E CA 0.256 56.648 56.400 -0.014 0.000 0.854 -366 E CB 0.481 30.174 29.700 -0.011 0.000 1.046 -366 E HN 0.700 nan 8.360 nan 0.000 0.409 -365 G N 3.874 112.674 108.800 0.000 0.000 2.131 -365 G HA2 -0.248 3.713 3.960 0.001 0.000 0.223 -365 G HA3 -0.248 3.713 3.960 0.001 0.000 0.223 -365 G C -0.272 174.636 174.900 0.014 0.000 0.990 -365 G CA 0.489 45.595 45.100 0.011 0.000 0.671 -365 G HN 0.619 nan 8.290 nan 0.000 0.521 -364 K N -1.153 119.248 120.400 0.002 0.000 2.533 -364 K HA 0.857 5.178 4.320 0.001 0.000 0.284 -364 K C -1.128 175.445 176.600 -0.045 0.000 1.025 -364 K CA -1.354 54.929 56.287 -0.006 0.000 0.900 -364 K CB 1.455 33.948 32.500 -0.012 0.000 1.519 -364 K HN 0.181 nan 8.250 nan 0.000 0.432 -363 L N 1.632 122.802 121.223 -0.089 0.000 2.381 -363 L HA 0.495 4.835 4.340 0.001 0.000 0.274 -363 L C -1.104 175.677 176.870 -0.148 0.000 0.988 -363 L CA -1.310 53.431 54.840 -0.165 0.000 0.824 -363 L CB 2.159 44.023 42.059 -0.326 0.000 1.263 -363 L HN 0.395 nan 8.230 nan 0.000 0.410 -362 V N 4.827 124.666 119.914 -0.125 0.000 2.398 -362 V HA 0.483 4.604 4.120 0.001 0.000 0.286 -362 V C 0.042 176.086 176.094 -0.084 0.000 1.026 -362 V CA -0.294 61.961 62.300 -0.075 0.000 0.868 -362 V CB 1.955 33.745 31.823 -0.055 0.000 0.982 -362 V HN 0.501 nan 8.190 nan 0.000 0.443 -361 I N 3.815 124.401 120.570 0.027 0.000 2.433 -361 I HA 0.444 4.614 4.170 0.001 0.000 0.292 -361 I C -1.101 175.253 176.117 0.395 0.000 1.001 -361 I CA -0.436 60.943 61.300 0.131 0.000 1.119 -361 I CB 2.052 40.118 38.000 0.111 0.000 1.289 -361 I HN 0.504 nan 8.210 nan 0.000 0.438 -360 W N 7.172 128.541 121.300 0.116 0.000 2.429 -360 W HA 0.688 5.349 4.660 0.001 0.000 0.314 -360 W C -0.318 176.332 176.519 0.218 0.000 1.062 -360 W CA -0.910 56.501 57.345 0.110 0.000 1.211 -360 W CB 1.227 30.729 29.460 0.069 0.000 1.305 -360 W HN 0.218 nan 8.180 nan 0.000 0.476 -359 I N 2.758 123.517 120.570 0.314 0.000 2.994 -359 I HA 0.317 4.487 4.170 0.001 0.000 0.306 -359 I C -0.422 175.764 176.117 0.116 0.000 1.195 -359 I CA -1.035 60.396 61.300 0.218 0.000 1.001 -359 I CB 1.986 39.970 38.000 -0.027 0.000 1.244 -359 I HN 0.190 nan 8.210 nan 0.000 0.437 -358 N N 2.521 121.262 118.700 0.068 0.000 2.518 -358 N HA 0.199 4.939 4.740 0.001 0.000 0.266 -358 N C 0.963 176.415 175.510 -0.096 0.000 1.196 -358 N CA 0.925 53.963 53.050 -0.019 0.000 0.947 -358 N CB 1.607 39.964 38.487 -0.216 0.000 1.098 -358 N HN 0.730 nan 8.380 nan 0.000 0.450 -357 G N 1.492 110.225 108.800 -0.111 0.000 2.527 -357 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 -357 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 -357 G C 0.783 175.652 174.900 -0.052 0.000 1.117 -357 G CA 0.961 45.957 45.100 -0.173 0.000 0.759 -357 G HN 0.816 nan 8.290 nan 0.000 0.556 -356 D N -0.279 120.017 120.400 -0.173 0.000 2.348 -356 D HA 0.030 4.671 4.640 0.001 0.000 0.211 -356 D C 1.020 177.234 176.300 -0.142 0.000 0.998 -356 D CA 0.328 54.208 54.000 -0.200 0.000 0.873 -356 D CB 0.146 40.649 40.800 -0.496 0.000 0.925 -356 D HN 0.088 nan 8.370 nan 0.000 0.524 -355 K N 0.267 120.587 120.400 -0.133 0.000 2.209 -355 K HA 0.484 4.804 4.320 0.001 0.000 0.238 -355 K C 0.894 177.468 176.600 -0.044 0.000 1.028 -355 K CA -0.625 55.607 56.287 -0.092 0.000 0.935 -355 K CB 0.576 32.980 32.500 -0.159 0.000 1.162 -355 K HN 0.025 nan 8.250 nan 0.000 0.485 -354 G N 1.740 110.490 108.800 -0.082 0.000 3.102 -354 G HA2 0.072 4.033 3.960 0.001 0.000 0.264 -354 G HA3 0.072 4.033 3.960 0.001 0.000 0.264 -354 G C 0.744 175.553 174.900 -0.152 0.000 0.788 -354 G CA -0.127 44.886 45.100 -0.146 0.000 2.029 -354 G HN 0.610 nan 8.290 nan 0.000 0.608 -353 Y N -0.633 119.591 120.300 -0.126 0.000 2.373 -353 Y HA 0.004 4.554 4.550 0.001 0.000 0.293 -353 Y C 2.043 177.912 175.900 -0.052 0.000 1.129 -353 Y CA 0.910 58.945 58.100 -0.108 0.000 1.226 -353 Y CB -0.399 37.995 38.460 -0.110 0.000 1.000 -353 Y HN 0.362 nan 8.280 nan 0.000 0.549 -352 N N 0.723 119.221 118.700 -0.337 0.000 2.188 -352 N HA -0.059 4.682 4.740 0.001 0.000 0.184 -352 N C 2.201 177.674 175.510 -0.062 0.000 1.018 -352 N CA 0.921 53.883 53.050 -0.147 0.000 0.858 -352 N CB -0.426 37.924 38.487 -0.230 0.000 0.989 -352 N HN 0.549 nan 8.380 nan 0.000 0.426 -351 G N 1.405 110.152 108.800 -0.089 0.000 2.446 -351 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 -351 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 -351 G C 1.437 176.341 174.900 0.007 0.000 1.168 -351 G CA 0.523 45.603 45.100 -0.035 0.000 0.771 -351 G HN 0.153 nan 8.290 nan 0.000 0.551 -350 L N 1.434 122.660 121.223 0.005 0.000 2.012 -350 L HA 0.096 4.437 4.340 0.001 0.000 0.210 -350 L C 3.089 180.033 176.870 0.125 0.000 1.073 -350 L CA 2.199 57.073 54.840 0.056 0.000 0.748 -350 L CB -0.751 41.301 42.059 -0.011 0.000 0.891 -350 L HN 0.246 nan 8.230 nan 0.000 0.431 -349 A N -1.050 121.830 122.820 0.101 0.000 2.024 -349 A HA -0.173 4.147 4.320 0.001 0.000 0.220 -349 A C 2.091 179.738 177.584 0.106 0.000 1.164 -349 A CA 1.577 53.677 52.037 0.106 0.000 0.643 -349 A CB -0.501 18.564 19.000 0.107 0.000 0.806 -349 A HN 0.539 nan 8.150 nan 0.000 0.451 -348 E N -0.031 120.222 120.200 0.088 0.000 2.047 -348 E HA -0.116 4.235 4.350 0.001 0.000 0.191 -348 E C 2.220 178.897 176.600 0.128 0.000 0.987 -348 E CA 1.396 57.848 56.400 0.087 0.000 0.799 -348 E CB -0.818 28.916 29.700 0.055 0.000 0.752 -348 E HN 0.411 nan 8.360 nan 0.000 0.449 -347 V N 1.040 121.044 119.914 0.149 0.000 2.407 -347 V HA -0.180 3.941 4.120 0.001 0.000 0.248 -347 V C 2.402 178.705 176.094 0.348 0.000 1.055 -347 V CA 1.923 64.344 62.300 0.201 0.000 1.049 -347 V CB -1.167 30.732 31.823 0.127 0.000 0.662 -347 V HN 0.327 nan 8.190 nan 0.000 0.455 -346 G N -0.432 108.588 108.800 0.367 0.000 2.432 -346 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 -346 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 -346 G C 1.672 176.701 174.900 0.216 0.000 1.135 -346 G CA 0.478 45.755 45.100 0.293 0.000 0.767 -346 G HN 0.329 nan 8.290 nan 0.000 0.550 -345 K N 0.551 121.052 120.400 0.167 0.000 2.097 -345 K HA 0.022 4.342 4.320 0.001 0.000 0.205 -345 K C 2.269 178.950 176.600 0.134 0.000 1.050 -345 K CA 0.878 57.240 56.287 0.125 0.000 0.938 -345 K CB -0.280 32.277 32.500 0.095 0.000 0.718 -345 K HN 0.382 nan 8.250 nan 0.000 0.442 -344 K N -0.387 120.118 120.400 0.174 0.000 2.097 -344 K HA -0.101 4.220 4.320 0.001 0.000 0.205 -344 K C 2.080 178.778 176.600 0.164 0.000 1.050 -344 K CA 0.825 57.228 56.287 0.192 0.000 0.938 -344 K CB -0.160 32.497 32.500 0.261 0.000 0.718 -344 K HN -0.020 nan 8.250 nan 0.000 0.442 -343 F N 2.107 122.009 119.950 -0.081 0.000 2.134 -343 F HA -0.150 4.377 4.527 0.001 0.000 0.299 -343 F C 2.251 177.956 175.800 -0.159 0.000 1.097 -343 F CA 1.732 59.502 58.000 -0.382 0.000 1.264 -343 F CB -0.033 38.813 39.000 -0.257 0.000 1.001 -343 F HN 0.146 nan 8.300 nan 0.000 0.479 -342 E N 0.106 120.350 120.200 0.074 0.000 2.072 -342 E HA -0.217 4.134 4.350 0.001 0.000 0.191 -342 E C 2.223 178.802 176.600 -0.034 0.000 0.985 -342 E CA 1.080 57.491 56.400 0.018 0.000 0.801 -342 E CB -0.042 29.700 29.700 0.070 0.000 0.750 -342 E HN 0.378 nan 8.360 nan 0.000 0.452 -341 K N 0.363 120.762 120.400 -0.001 0.000 2.032 -341 K HA -0.187 4.134 4.320 0.001 0.000 0.209 -341 K C 1.827 178.408 176.600 -0.031 0.000 1.048 -341 K CA 1.876 58.164 56.287 0.001 0.000 0.927 -341 K CB -0.069 32.451 32.500 0.034 0.000 0.712 -341 K HN 0.123 nan 8.250 nan 0.000 0.441 -340 D N -0.611 119.756 120.400 -0.056 0.000 2.077 -340 D HA -0.116 4.525 4.640 0.001 0.000 0.196 -340 D C 1.968 178.178 176.300 -0.149 0.000 0.986 -340 D CA 1.943 55.904 54.000 -0.066 0.000 0.829 -340 D CB -0.345 40.467 40.800 0.020 0.000 0.983 -340 D HN 0.352 nan 8.370 nan 0.000 0.453 -339 T N -3.840 110.526 114.554 -0.312 0.000 3.044 -339 T HA 0.348 4.698 4.350 0.001 0.000 0.250 -339 T C 1.676 176.268 174.700 -0.179 0.000 1.081 -339 T CA 0.651 62.563 62.100 -0.314 0.000 1.040 -339 T CB 0.545 69.047 68.868 -0.610 0.000 0.962 -339 T HN 0.235 nan 8.240 nan 0.000 0.506 -338 G N 1.752 110.474 108.800 -0.131 0.000 2.168 -338 G HA2 -0.193 3.767 3.960 0.001 0.000 0.263 -338 G HA3 -0.193 3.767 3.960 0.001 0.000 0.263 -338 G C 0.029 174.910 174.900 -0.032 0.000 0.977 -338 G CA 0.126 45.190 45.100 -0.060 0.000 0.659 -338 G HN 0.573 nan 8.290 nan 0.000 0.533 -337 I N 1.259 121.808 120.570 -0.035 0.000 2.291 -337 I HA 0.227 4.398 4.170 0.001 0.000 0.292 -337 I C 0.921 177.107 176.117 0.115 0.000 1.064 -337 I CA -0.977 60.362 61.300 0.066 0.000 1.269 -337 I CB 1.044 39.150 38.000 0.176 0.000 1.418 -337 I HN 0.189 nan 8.210 nan 0.000 0.485 -336 K N 5.893 126.329 120.400 0.059 0.000 2.453 -336 K HA 0.192 4.513 4.320 0.001 0.000 0.280 -336 K C -0.920 175.692 176.600 0.019 0.000 1.045 -336 K CA 0.006 56.318 56.287 0.041 0.000 1.059 -336 K CB 0.539 33.052 32.500 0.021 0.000 0.901 -336 K HN 0.378 nan 8.250 nan 0.000 0.475 -335 V N 4.894 124.810 119.914 0.003 0.000 2.357 -335 V HA 0.184 4.305 4.120 0.001 0.000 0.284 -335 V C -0.424 175.638 176.094 -0.054 0.000 1.018 -335 V CA -0.686 61.557 62.300 -0.095 0.000 0.841 -335 V CB 1.701 33.402 31.823 -0.203 0.000 0.991 -335 V HN 0.840 nan 8.190 nan 0.000 0.437 -334 T N 4.767 119.290 114.554 -0.050 0.000 2.771 -334 T HA 0.536 4.886 4.350 0.001 0.000 0.281 -334 T C -0.247 174.466 174.700 0.022 0.000 0.982 -334 T CA -0.384 61.717 62.100 0.001 0.000 0.978 -334 T CB 1.559 70.437 68.868 0.017 0.000 0.930 -334 T HN 0.306 nan 8.240 nan 0.000 0.447 -333 V N 4.048 123.996 119.914 0.056 0.000 2.370 -333 V HA 0.425 4.545 4.120 0.001 0.000 0.283 -333 V C 0.149 176.301 176.094 0.097 0.000 1.023 -333 V CA -0.656 61.703 62.300 0.097 0.000 0.857 -333 V CB 1.305 33.197 31.823 0.115 0.000 0.985 -333 V HN 0.847 nan 8.190 nan 0.000 0.443 -332 E N 2.353 122.618 120.200 0.108 0.000 2.263 -332 E HA 0.630 4.981 4.350 0.001 0.000 0.264 -332 E C -1.118 175.391 176.600 -0.152 0.000 0.923 -332 E CA -0.822 55.534 56.400 -0.072 0.000 0.802 -332 E CB 1.983 31.637 29.700 -0.076 0.000 1.228 -332 E HN 0.988 nan 8.360 nan 0.000 0.417 -331 H N -0.738 118.109 119.070 -0.372 0.000 2.488 -331 H HA 0.408 4.964 4.556 0.001 0.000 0.237 -331 H C -2.774 172.311 175.328 -0.404 0.000 1.395 -331 H CA -2.230 53.569 56.048 -0.414 0.000 1.491 -331 H CB -0.280 29.120 29.762 -0.602 0.000 1.567 -331 H HN 0.148 nan 8.280 nan 0.000 0.508 -330 P HA 0.093 nan 4.420 nan 0.000 0.274 -330 P C 0.007 177.127 177.300 -0.301 0.000 1.231 -330 P CA -0.330 62.463 63.100 -0.511 0.000 0.790 -330 P CB 0.905 32.121 31.700 -0.808 0.000 0.951 -329 D N 1.589 121.856 120.400 -0.222 0.000 2.414 -329 D HA 0.023 4.663 4.640 0.001 0.000 0.242 -329 D C 0.347 176.568 176.300 -0.132 0.000 1.129 -329 D CA 0.306 54.226 54.000 -0.132 0.000 0.885 -329 D CB 0.226 40.965 40.800 -0.102 0.000 1.198 -329 D HN 0.325 nan 8.370 nan 0.000 0.437 -328 K N 0.621 120.974 120.400 -0.078 0.000 3.096 -328 K HA -0.231 4.089 4.320 0.001 0.000 0.266 -328 K C 1.207 177.727 176.600 -0.133 0.000 1.043 -328 K CA 0.095 56.331 56.287 -0.085 0.000 0.758 -328 K CB -1.341 31.118 32.500 -0.069 0.000 1.260 -328 K HN 0.381 nan 8.250 nan 0.000 0.481 -327 L N 0.299 121.439 121.223 -0.139 0.000 2.141 -327 L HA -0.126 4.215 4.340 0.001 0.000 0.209 -327 L C 2.235 179.044 176.870 -0.101 0.000 1.094 -327 L CA 2.043 56.808 54.840 -0.125 0.000 0.763 -327 L CB -0.317 41.709 42.059 -0.054 0.000 0.908 -327 L HN 0.343 nan 8.230 nan 0.000 0.437 -326 E N 0.453 120.382 120.200 -0.450 0.000 2.409 -326 E HA -0.241 4.109 4.350 0.001 0.000 0.198 -326 E C 1.455 177.964 176.600 -0.151 0.000 1.024 -326 E CA 1.563 57.632 56.400 -0.552 0.000 0.861 -326 E CB -0.277 28.512 29.700 -1.517 0.000 0.788 -326 E HN 0.831 nan 8.360 nan 0.000 0.521 -325 E N 0.351 120.483 120.200 -0.112 0.000 2.290 -325 E HA 0.091 4.441 4.350 0.001 0.000 0.197 -325 E C 1.916 178.522 176.600 0.008 0.000 0.948 -325 E CA 0.021 56.401 56.400 -0.033 0.000 0.895 -325 E CB 0.298 29.967 29.700 -0.051 0.000 0.865 -325 E HN 0.141 nan 8.360 nan 0.000 0.486 -324 K N 0.440 120.857 120.400 0.027 0.000 2.103 -324 K HA -0.102 4.219 4.320 0.001 0.000 0.204 -324 K C 1.937 178.648 176.600 0.186 0.000 1.052 -324 K CA 0.823 57.161 56.287 0.084 0.000 0.945 -324 K CB -0.153 32.374 32.500 0.045 0.000 0.722 -324 K HN 0.034 nan 8.250 nan 0.000 0.443 -323 F N 3.309 123.333 119.950 0.123 0.000 2.043 -323 F HA -0.182 4.346 4.527 0.001 0.000 0.297 -323 F C -1.111 174.557 175.800 -0.220 0.000 1.121 -323 F CA 1.414 59.389 58.000 -0.041 0.000 1.199 -323 F CB -1.017 37.836 39.000 -0.245 0.000 0.968 -323 F HN -0.002 nan 8.300 nan 0.000 0.478 -322 P HA -0.155 nan 4.420 nan 0.000 0.223 -322 P C 1.262 178.397 177.300 -0.275 0.000 1.151 -322 P CA 1.557 64.428 63.100 -0.383 0.000 0.787 -322 P CB -0.200 31.479 31.700 -0.036 0.000 0.788 -321 Q N 0.011 119.710 119.800 -0.169 0.000 1.990 -321 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 -321 Q C 2.311 178.219 176.000 -0.155 0.000 0.980 -321 Q CA 2.140 57.870 55.803 -0.121 0.000 0.832 -321 Q CB -0.603 28.098 28.738 -0.061 0.000 0.897 -321 Q HN 0.203 nan 8.270 nan 0.000 0.427 -320 V N -2.416 117.401 119.914 -0.162 0.000 2.488 -320 V HA 0.035 4.155 4.120 0.001 0.000 0.246 -320 V C 2.069 177.988 176.094 -0.291 0.000 1.046 -320 V CA 1.435 63.639 62.300 -0.161 0.000 1.053 -320 V CB -0.986 30.811 31.823 -0.043 0.000 0.679 -320 V HN 0.277 nan 8.190 nan 0.000 0.458 -319 A N 0.920 123.424 122.820 -0.527 0.000 1.972 -319 A HA 0.088 4.408 4.320 0.001 0.000 0.219 -319 A C 2.444 179.787 177.584 -0.402 0.000 1.169 -319 A CA 2.013 53.671 52.037 -0.631 0.000 0.635 -319 A CB -1.042 17.190 19.000 -1.281 0.000 0.810 -319 A HN 1.063 nan 8.150 nan 0.000 0.446 -318 A N -0.337 122.284 122.820 -0.332 0.000 2.131 -318 A HA -0.055 4.266 4.320 0.001 0.000 0.220 -318 A C 1.999 179.495 177.584 -0.148 0.000 1.158 -318 A CA 2.101 54.016 52.037 -0.204 0.000 0.665 -318 A CB -0.895 18.012 19.000 -0.156 0.000 0.795 -318 A HN 0.853 nan 8.150 nan 0.000 0.460 -317 T N -5.255 109.206 114.554 -0.154 0.000 3.129 -317 T HA 0.451 4.802 4.350 0.001 0.000 0.267 -317 T C 1.001 175.636 174.700 -0.108 0.000 1.018 -317 T CA 0.838 62.873 62.100 -0.109 0.000 0.903 -317 T CB 0.033 68.848 68.868 -0.089 0.000 1.067 -317 T HN 1.692 nan 8.240 nan 0.000 0.549 -316 G N 0.986 109.705 108.800 -0.136 0.000 2.225 -316 G HA2 -0.165 3.795 3.960 0.001 0.000 0.264 -316 G HA3 -0.165 3.795 3.960 0.001 0.000 0.264 -316 G C -0.479 174.343 174.900 -0.130 0.000 1.060 -316 G CA 0.166 45.192 45.100 -0.123 0.000 0.833 -316 G HN 0.693 nan 8.290 nan 0.000 0.498 -315 D N -0.985 119.312 120.400 -0.172 0.000 2.592 -315 D HA 0.681 5.321 4.640 0.001 0.000 0.263 -315 D C 0.657 176.808 176.300 -0.249 0.000 1.132 -315 D CA 1.061 54.962 54.000 -0.164 0.000 0.996 -315 D CB 1.771 42.501 40.800 -0.118 0.000 1.442 -315 D HN 1.425 nan 8.370 nan 0.000 0.486 -314 G N 0.746 109.397 108.800 -0.248 0.000 2.500 -314 G HA2 -0.077 3.884 3.960 0.001 0.000 0.209 -314 G HA3 -0.077 3.884 3.960 0.001 0.000 0.209 -314 G C -2.788 171.776 174.900 -0.559 0.000 1.283 -314 G CA -0.520 44.294 45.100 -0.476 0.000 0.960 -314 G HN 0.443 nan 8.290 nan 0.000 0.528 -313 P HA 0.312 nan 4.420 nan 0.000 0.276 -313 P C -0.004 177.085 177.300 -0.353 0.000 1.244 -313 P CA -0.107 62.557 63.100 -0.727 0.000 0.801 -313 P CB 0.911 31.946 31.700 -1.108 0.000 1.006 -312 D N 0.358 120.612 120.400 -0.243 0.000 2.149 -312 D HA 0.030 4.671 4.640 0.001 0.000 0.201 -312 D C 0.718 176.932 176.300 -0.142 0.000 0.972 -312 D CA 1.424 55.329 54.000 -0.159 0.000 0.835 -312 D CB 0.313 41.030 40.800 -0.138 0.000 0.966 -312 D HN 0.362 nan 8.370 nan 0.000 0.476 -311 I N 0.883 121.359 120.570 -0.157 0.000 2.608 -311 I HA 0.340 4.510 4.170 0.001 0.000 0.295 -311 I C -0.618 175.413 176.117 -0.143 0.000 1.049 -311 I CA -0.717 60.504 61.300 -0.132 0.000 1.063 -311 I CB 3.321 41.279 38.000 -0.070 0.000 1.248 -311 I HN -0.188 nan 8.210 nan 0.000 0.424 -310 I N 5.002 125.427 120.570 -0.242 0.000 2.465 -310 I HA 0.466 4.637 4.170 0.001 0.000 0.291 -310 I C -1.567 174.535 176.117 -0.026 0.000 1.014 -310 I CA -0.540 60.645 61.300 -0.191 0.000 1.093 -310 I CB 1.840 39.385 38.000 -0.758 0.000 1.267 -310 I HN 0.393 nan 8.210 nan 0.000 0.431 -309 F N 7.612 127.700 119.950 0.230 0.000 2.427 -309 F HA 0.516 5.043 4.527 0.001 0.000 0.346 -309 F C -0.355 175.711 175.800 0.444 0.000 1.120 -309 F CA -0.092 58.083 58.000 0.292 0.000 1.033 -309 F CB 1.270 40.376 39.000 0.176 0.000 1.126 -309 F HN 0.421 nan 8.300 nan 0.000 0.462 -308 W N 1.925 123.413 121.300 0.313 0.000 2.982 -308 W HA 0.613 5.273 4.660 0.001 0.000 0.344 -308 W C -1.353 175.138 176.519 -0.047 0.000 1.215 -308 W CA -1.278 56.175 57.345 0.180 0.000 1.182 -308 W CB 1.487 31.154 29.460 0.346 0.000 1.437 -308 W HN 0.601 nan 8.180 nan 0.000 0.570 -307 A N 2.394 124.994 122.820 -0.366 0.000 2.483 -307 A HA 0.045 4.366 4.320 0.001 0.000 0.238 -307 A C 1.381 178.908 177.584 -0.095 0.000 1.070 -307 A CA 0.852 52.758 52.037 -0.218 0.000 0.770 -307 A CB -0.110 18.694 19.000 -0.326 0.000 1.008 -307 A HN 0.770 nan 8.150 nan 0.000 0.497 -306 H N 1.608 120.536 119.070 -0.236 0.000 2.489 -306 H HA -0.170 4.387 4.556 0.001 0.000 0.295 -306 H C 1.064 176.369 175.328 -0.038 0.000 1.082 -306 H CA 1.496 57.361 56.048 -0.306 0.000 1.295 -306 H CB -0.466 29.168 29.762 -0.214 0.000 1.380 -306 H HN 0.834 nan 8.280 nan 0.000 0.548 -305 D N 1.552 121.643 120.400 -0.515 0.000 2.182 -305 D HA -0.198 4.443 4.640 0.001 0.000 0.201 -305 D C 1.796 178.043 176.300 -0.089 0.000 0.986 -305 D CA 0.674 54.491 54.000 -0.305 0.000 0.847 -305 D CB -0.353 40.326 40.800 -0.202 0.000 0.942 -305 D HN 0.337 nan 8.370 nan 0.000 0.467 -304 R N -0.857 119.642 120.500 -0.001 0.000 2.240 -304 R HA 0.066 4.406 4.340 0.001 0.000 0.203 -304 R C 1.898 177.855 176.300 -0.571 0.000 1.011 -304 R CA -0.005 55.913 56.100 -0.304 0.000 1.007 -304 R CB -0.393 29.637 30.300 -0.450 0.000 0.911 -304 R HN 0.227 nan 8.270 nan 0.000 0.468 -303 F N 0.584 120.295 119.950 -0.398 0.000 2.259 -303 F HA 0.039 4.566 4.527 0.001 0.000 0.298 -303 F C 2.478 178.121 175.800 -0.262 0.000 1.088 -303 F CA 1.001 58.878 58.000 -0.205 0.000 1.358 -303 F CB -0.942 38.071 39.000 0.022 0.000 1.040 -303 F HN 0.089 nan 8.300 nan 0.000 0.505 -302 G N -0.185 108.487 108.800 -0.215 0.000 2.446 -302 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 -302 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 -302 G C 2.097 176.609 174.900 -0.647 0.000 1.168 -302 G CA 0.882 45.562 45.100 -0.700 0.000 0.771 -302 G HN 0.493 nan 8.290 nan 0.000 0.551 -301 G N -0.386 108.175 108.800 -0.398 0.000 2.432 -301 G HA2 -0.150 3.811 3.960 0.001 0.000 0.219 -301 G HA3 -0.150 3.811 3.960 0.001 0.000 0.219 -301 G C 1.610 176.454 174.900 -0.094 0.000 1.135 -301 G CA 0.994 45.942 45.100 -0.253 0.000 0.767 -301 G HN 0.399 nan 8.290 nan 0.000 0.550 -300 Y N 1.107 121.330 120.300 -0.128 0.000 2.184 -300 Y HA 0.160 4.710 4.550 0.001 0.000 0.290 -300 Y C 3.084 178.937 175.900 -0.078 0.000 1.129 -300 Y CA 0.031 58.077 58.100 -0.089 0.000 1.144 -300 Y CB -1.130 37.254 38.460 -0.126 0.000 0.995 -300 Y HN 0.245 nan 8.280 nan 0.000 0.513 -299 A N -0.273 122.577 122.820 0.050 0.000 1.933 -299 A HA -0.199 4.122 4.320 0.001 0.000 0.218 -299 A C 2.236 179.887 177.584 0.111 0.000 1.175 -299 A CA 1.535 53.617 52.037 0.076 0.000 0.628 -299 A CB -0.574 18.487 19.000 0.102 0.000 0.814 -299 A HN 0.312 nan 8.150 nan 0.000 0.444 -298 Q N 0.357 120.186 119.800 0.048 0.000 2.096 -298 Q HA -0.108 4.232 4.340 0.001 0.000 0.204 -298 Q C 2.122 178.179 176.000 0.094 0.000 0.982 -298 Q CA 1.955 57.842 55.803 0.141 0.000 0.850 -298 Q CB -0.478 28.301 28.738 0.069 0.000 0.901 -298 Q HN 0.616 nan 8.270 nan 0.000 0.422 -297 S N -0.814 114.922 115.700 0.060 0.000 2.607 -297 S HA 0.128 4.598 4.470 0.001 0.000 0.224 -297 S C 1.046 175.662 174.600 0.026 0.000 0.969 -297 S CA 0.617 58.841 58.200 0.041 0.000 0.927 -297 S CB -0.002 63.216 63.200 0.029 0.000 0.772 -297 S HN 0.593 nan 8.310 nan 0.000 0.533 -296 G N 1.330 110.157 108.800 0.046 0.000 2.198 -296 G HA2 -0.240 3.720 3.960 0.001 0.000 0.257 -296 G HA3 -0.240 3.720 3.960 0.001 0.000 0.257 -296 G C 0.412 175.312 174.900 0.001 0.000 1.042 -296 G CA 0.362 45.482 45.100 0.033 0.000 0.791 -296 G HN 0.533 nan 8.290 nan 0.000 0.502 -295 L N -1.316 119.906 121.223 -0.002 0.000 2.513 -295 L HA 0.403 4.743 4.340 0.001 0.000 0.222 -295 L C 1.332 178.206 176.870 0.007 0.000 1.096 -295 L CA 0.193 54.998 54.840 -0.059 0.000 0.857 -295 L CB 0.091 42.051 42.059 -0.164 0.000 1.026 -295 L HN 0.208 nan 8.230 nan 0.000 0.469 -294 L N 0.459 121.709 121.223 0.044 0.000 2.317 -294 L HA 0.574 4.915 4.340 0.001 0.000 0.281 -294 L C 0.314 177.212 176.870 0.047 0.000 1.024 -294 L CA -0.610 54.258 54.840 0.046 0.000 0.810 -294 L CB 1.663 43.752 42.059 0.050 0.000 1.240 -294 L HN -0.063 nan 8.230 nan 0.000 0.427 -293 A N 2.618 125.462 122.820 0.040 0.000 2.388 -293 A HA 0.186 4.507 4.320 0.001 0.000 0.257 -293 A C 0.086 177.702 177.584 0.053 0.000 1.095 -293 A CA -0.296 51.766 52.037 0.041 0.000 0.791 -293 A CB 0.322 19.343 19.000 0.035 0.000 1.029 -293 A HN 0.784 nan 8.150 nan 0.000 0.489 -292 E N 1.125 121.353 120.200 0.048 0.000 2.376 -292 E HA 0.292 4.642 4.350 0.001 0.000 0.266 -292 E C -0.270 176.347 176.600 0.029 0.000 1.009 -292 E CA -0.159 56.267 56.400 0.043 0.000 0.902 -292 E CB 0.280 30.002 29.700 0.036 0.000 0.972 -292 E HN 0.564 nan 8.360 nan 0.000 0.439 -291 I N 1.224 121.794 120.570 -0.000 0.000 2.499 -291 I HA 0.360 4.531 4.170 0.001 0.000 0.296 -291 I C 0.055 176.149 176.117 -0.038 0.000 0.992 -291 I CA -0.540 60.739 61.300 -0.035 0.000 1.297 -291 I CB 1.781 39.636 38.000 -0.241 0.000 1.410 -291 I HN 0.321 nan 8.210 nan 0.000 0.507 -290 T N 2.088 116.646 114.554 0.007 0.000 3.514 -290 T HA 0.469 4.819 4.350 0.001 0.000 0.259 -290 T C -2.368 172.342 174.700 0.017 0.000 1.466 -290 T CA -1.267 60.832 62.100 -0.001 0.000 1.562 -290 T CB -0.209 68.666 68.868 0.012 0.000 0.924 -290 T HN 0.564 nan 8.240 nan 0.000 0.678 -289 P HA 0.322 nan 4.420 nan 0.000 0.279 -289 P C -0.315 177.002 177.300 0.028 0.000 1.239 -289 P CA -0.225 62.916 63.100 0.068 0.000 0.789 -289 P CB 0.954 32.809 31.700 0.259 0.000 0.933 -288 D N 1.339 121.778 120.400 0.066 0.000 2.384 -288 D HA 0.024 4.665 4.640 0.001 0.000 0.244 -288 D C 1.224 177.553 176.300 0.049 0.000 1.251 -288 D CA -0.390 53.638 54.000 0.046 0.000 0.961 -288 D CB 0.532 41.364 40.800 0.052 0.000 1.116 -288 D HN 0.127 nan 8.370 nan 0.000 0.484 -287 K N 0.387 120.795 120.400 0.013 0.000 2.020 -287 K HA -0.205 4.116 4.320 0.001 0.000 0.212 -287 K C 1.970 178.590 176.600 0.033 0.000 1.050 -287 K CA 2.248 58.532 56.287 -0.005 0.000 0.929 -287 K CB -0.959 31.537 32.500 -0.007 0.000 0.714 -287 K HN 0.490 nan 8.250 nan 0.000 0.443 -286 A N -0.348 122.512 122.820 0.066 0.000 1.940 -286 A HA -0.156 4.165 4.320 0.001 0.000 0.219 -286 A C 2.244 179.906 177.584 0.130 0.000 1.176 -286 A CA 1.712 53.799 52.037 0.083 0.000 0.631 -286 A CB -0.897 18.154 19.000 0.085 0.000 0.814 -286 A HN 0.522 nan 8.150 nan 0.000 0.446 -285 F N 0.274 120.256 119.950 0.052 0.000 2.206 -285 F HA -0.113 4.414 4.527 0.001 0.000 0.298 -285 F C 2.532 178.447 175.800 0.191 0.000 1.090 -285 F CA 1.756 59.827 58.000 0.118 0.000 1.323 -285 F CB -0.104 38.988 39.000 0.154 0.000 1.028 -285 F HN 0.286 nan 8.300 nan 0.000 0.492 -284 Q N -0.121 119.770 119.800 0.152 0.000 2.119 -284 Q HA -0.191 4.149 4.340 0.001 0.000 0.201 -284 Q C 1.506 177.569 176.000 0.105 0.000 0.972 -284 Q CA 1.482 57.308 55.803 0.038 0.000 0.847 -284 Q CB -0.237 28.304 28.738 -0.328 0.000 0.903 -284 Q HN 0.382 nan 8.270 nan 0.000 0.433 -283 D N 0.792 121.206 120.400 0.022 0.000 2.263 -283 D HA -0.113 4.528 4.640 0.001 0.000 0.208 -283 D C 1.291 177.561 176.300 -0.050 0.000 0.971 -283 D CA 1.031 55.033 54.000 0.003 0.000 0.867 -283 D CB 0.000 40.798 40.800 -0.004 0.000 0.929 -283 D HN 0.190 nan 8.370 nan 0.000 0.492 -282 K N -0.311 120.021 120.400 -0.113 0.000 2.288 -282 K HA 0.065 4.385 4.320 0.001 0.000 0.201 -282 K C 0.642 177.085 176.600 -0.261 0.000 1.048 -282 K CA 0.417 56.575 56.287 -0.214 0.000 0.956 -282 K CB 0.404 32.701 32.500 -0.337 0.000 0.746 -282 K HN 0.142 nan 8.250 nan 0.000 0.461 -281 L N 0.596 121.725 121.223 -0.156 0.000 2.334 -281 L HA 0.324 4.665 4.340 0.001 0.000 0.273 -281 L C -0.347 176.447 176.870 -0.128 0.000 1.013 -281 L CA -1.349 53.360 54.840 -0.219 0.000 0.816 -281 L CB 0.723 42.598 42.059 -0.307 0.000 1.278 -281 L HN -0.078 nan 8.230 nan 0.000 0.431 -280 Y N 1.813 122.044 120.300 -0.115 0.000 2.620 -280 Y HA 0.007 4.557 4.550 0.001 0.000 0.330 -280 Y C -1.384 174.500 175.900 -0.027 0.000 1.186 -280 Y CA -1.075 56.990 58.100 -0.059 0.000 1.467 -280 Y CB -0.077 38.295 38.460 -0.146 0.000 1.262 -280 Y HN 0.441 nan 8.280 nan 0.000 0.550 -279 P HA -0.252 nan 4.420 nan 0.000 0.216 -279 P C 1.498 178.951 177.300 0.254 0.000 1.153 -279 P CA 1.760 65.059 63.100 0.331 0.000 0.858 -279 P CB -0.146 31.717 31.700 0.271 0.000 0.789 -278 F N -0.071 119.974 119.950 0.158 0.000 2.333 -278 F HA -0.127 4.400 4.527 0.001 0.000 0.300 -278 F C 1.820 177.635 175.800 0.024 0.000 1.083 -278 F CA 1.600 59.645 58.000 0.076 0.000 1.395 -278 F CB -2.161 36.855 39.000 0.027 0.000 1.056 -278 F HN -0.087 nan 8.300 nan 0.000 0.529 -277 T N -3.310 110.764 114.554 -0.800 0.000 2.904 -277 T HA -0.164 4.186 4.350 0.001 0.000 0.267 -277 T C 1.587 176.063 174.700 -0.373 0.000 1.059 -277 T CA 1.034 62.727 62.100 -0.679 0.000 1.137 -277 T CB -1.168 67.241 68.868 -0.765 0.000 0.879 -277 T HN 0.571 nan 8.240 nan 0.000 0.467 -276 W N 2.050 123.261 121.300 -0.149 0.000 2.381 -276 W HA 0.043 4.704 4.660 0.001 0.000 0.301 -276 W C 2.188 178.682 176.519 -0.042 0.000 1.205 -276 W CA 0.389 57.693 57.345 -0.070 0.000 1.285 -276 W CB -0.215 29.226 29.460 -0.031 0.000 1.133 -276 W HN 0.192 nan 8.180 nan 0.000 0.521 -275 D N 0.212 120.731 120.400 0.199 0.000 2.133 -275 D HA -0.209 4.432 4.640 0.001 0.000 0.195 -275 D C 2.174 178.525 176.300 0.086 0.000 0.997 -275 D CA 1.957 56.045 54.000 0.146 0.000 0.840 -275 D CB -0.859 40.029 40.800 0.148 0.000 0.947 -275 D HN 0.146 nan 8.370 nan 0.000 0.452 -274 A N 0.424 123.223 122.820 -0.035 0.000 2.067 -274 A HA -0.072 4.249 4.320 0.001 0.000 0.219 -274 A C 2.079 179.610 177.584 -0.088 0.000 1.158 -274 A CA 1.332 53.241 52.037 -0.214 0.000 0.661 -274 A CB -0.227 18.400 19.000 -0.621 0.000 0.801 -274 A HN 0.248 nan 8.150 nan 0.000 0.452 -273 V N -3.273 116.643 119.914 0.003 0.000 3.444 -273 V HA 0.357 4.478 4.120 0.001 0.000 0.308 -273 V C 0.538 176.747 176.094 0.191 0.000 1.371 -273 V CA -0.270 62.087 62.300 0.095 0.000 1.141 -273 V CB -0.833 31.019 31.823 0.049 0.000 1.037 -273 V HN 0.381 nan 8.190 nan 0.000 0.433 -272 R N 0.933 121.550 120.500 0.195 0.000 2.221 -272 R HA 0.440 4.781 4.340 0.001 0.000 0.327 -272 R C -1.606 174.856 176.300 0.269 0.000 1.033 -272 R CA -0.652 55.569 56.100 0.202 0.000 0.887 -272 R CB 0.854 31.247 30.300 0.155 0.000 1.057 -272 R HN 0.498 nan 8.270 nan 0.000 0.455 -271 Y N 4.849 125.212 120.300 0.106 0.000 2.326 -271 Y HA 0.205 4.756 4.550 0.001 0.000 0.329 -271 Y C -0.215 175.730 175.900 0.075 0.000 0.973 -271 Y CA -0.969 57.189 58.100 0.097 0.000 1.162 -271 Y CB 0.994 39.518 38.460 0.107 0.000 1.147 -271 Y HN 0.894 nan 8.280 nan 0.000 0.456 -270 N N 4.170 122.618 118.700 -0.420 0.000 2.747 -270 N HA -0.249 4.492 4.740 0.001 0.000 0.249 -270 N C 0.916 176.363 175.510 -0.106 0.000 1.107 -270 N CA 0.863 53.725 53.050 -0.314 0.000 0.707 -270 N CB -0.901 37.373 38.487 -0.356 0.000 1.054 -270 N HN 1.266 nan 8.380 nan 0.000 0.555 -269 G N -0.445 108.329 108.800 -0.042 0.000 2.284 -269 G HA2 -0.364 3.596 3.960 0.001 0.000 0.261 -269 G HA3 -0.364 3.596 3.960 0.001 0.000 0.261 -269 G C 0.094 175.003 174.900 0.014 0.000 0.997 -269 G CA 1.074 46.171 45.100 -0.005 0.000 0.621 -269 G HN 0.458 nan 8.290 nan 0.000 0.534 -268 K N 0.384 120.801 120.400 0.029 0.000 2.174 -268 K HA 0.598 4.918 4.320 0.001 0.000 0.275 -268 K C 0.405 177.059 176.600 0.089 0.000 1.015 -268 K CA -0.583 55.734 56.287 0.050 0.000 0.933 -268 K CB 1.179 33.718 32.500 0.064 0.000 1.025 -268 K HN 0.202 nan 8.250 nan 0.000 0.463 -267 L N 4.745 126.004 121.223 0.060 0.000 2.281 -267 L HA 0.217 4.557 4.340 0.001 0.000 0.285 -267 L C 0.891 177.817 176.870 0.094 0.000 1.074 -267 L CA -0.120 54.774 54.840 0.090 0.000 0.817 -267 L CB 0.347 42.425 42.059 0.032 0.000 1.168 -267 L HN 0.681 nan 8.230 nan 0.000 0.434 -266 I N 0.239 120.900 120.570 0.151 0.000 4.154 -266 I HA 0.646 4.816 4.170 0.001 0.000 0.334 -266 I C 0.402 176.638 176.117 0.199 0.000 1.371 -266 I CA -0.130 61.271 61.300 0.169 0.000 1.110 -266 I CB 0.530 38.667 38.000 0.229 0.000 1.085 -266 I HN 0.475 nan 8.210 nan 0.000 0.398 -265 A N -0.085 122.819 122.820 0.140 0.000 2.586 -265 A HA 0.675 4.996 4.320 0.001 0.000 0.291 -265 A C -1.994 175.573 177.584 -0.028 0.000 1.062 -265 A CA -0.499 51.620 52.037 0.137 0.000 0.666 -265 A CB 0.474 19.655 19.000 0.302 0.000 1.281 -265 A HN 0.117 nan 8.150 nan 0.000 0.421 -264 Y N 0.961 121.303 120.300 0.070 0.000 2.327 -264 Y HA 0.466 5.016 4.550 0.001 0.000 0.336 -264 Y C -2.113 173.673 175.900 -0.190 0.000 1.035 -264 Y CA -1.823 56.262 58.100 -0.025 0.000 1.165 -264 Y CB 1.034 39.526 38.460 0.054 0.000 1.181 -264 Y HN 0.390 nan 8.280 nan 0.000 0.494 -263 P HA 0.089 nan 4.420 nan 0.000 0.275 -263 P C -0.026 177.175 177.300 -0.165 0.000 1.227 -263 P CA 0.131 63.051 63.100 -0.300 0.000 0.781 -263 P CB 1.194 32.565 31.700 -0.549 0.000 0.906 -262 I N 0.788 121.315 120.570 -0.072 0.000 3.366 -262 I HA 0.402 4.573 4.170 0.001 0.000 0.267 -262 I C 0.861 176.985 176.117 0.011 0.000 1.149 -262 I CA 0.328 61.642 61.300 0.023 0.000 1.436 -262 I CB -0.871 37.221 38.000 0.154 0.000 1.379 -262 I HN 0.319 nan 8.210 nan 0.000 0.460 -261 A N 0.498 123.320 122.820 0.003 0.000 2.605 -261 A HA 0.623 4.943 4.320 0.001 0.000 0.294 -261 A C -1.312 176.291 177.584 0.032 0.000 1.062 -261 A CA -0.381 51.673 52.037 0.029 0.000 0.682 -261 A CB 1.300 20.338 19.000 0.063 0.000 1.278 -261 A HN -0.166 nan 8.150 nan 0.000 0.410 -260 V N 1.804 121.756 119.914 0.064 0.000 2.406 -260 V HA 0.392 4.513 4.120 0.001 0.000 0.272 -260 V C -0.118 176.051 176.094 0.125 0.000 1.043 -260 V CA -0.083 62.284 62.300 0.111 0.000 0.915 -260 V CB 0.955 32.882 31.823 0.173 0.000 0.988 -260 V HN 0.846 nan 8.190 nan 0.000 0.466 -259 E N 3.638 123.935 120.200 0.162 0.000 2.158 -259 E HA 0.772 5.123 4.350 0.001 0.000 0.271 -259 E C -0.491 176.249 176.600 0.234 0.000 0.911 -259 E CA -0.535 55.990 56.400 0.208 0.000 0.767 -259 E CB 2.171 32.069 29.700 0.329 0.000 1.120 -259 E HN 0.785 nan 8.360 nan 0.000 0.405 -258 A N 3.421 126.340 122.820 0.166 0.000 2.435 -258 A HA 0.550 4.870 4.320 0.001 0.000 0.304 -258 A C -0.677 176.953 177.584 0.076 0.000 1.064 -258 A CA -0.764 51.366 52.037 0.154 0.000 0.727 -258 A CB 0.828 19.902 19.000 0.124 0.000 1.284 -258 A HN 0.599 nan 8.150 nan 0.000 0.415 -257 L N 1.456 122.703 121.223 0.041 0.000 2.461 -257 L HA 0.397 4.737 4.340 0.001 0.000 0.272 -257 L C 0.492 177.368 176.870 0.010 0.000 1.197 -257 L CA 0.217 55.048 54.840 -0.014 0.000 0.836 -257 L CB 1.007 43.016 42.059 -0.082 0.000 1.105 -257 L HN 0.748 nan 8.230 nan 0.000 0.477 -256 S N 1.625 117.336 115.700 0.017 0.000 2.661 -256 S HA 0.513 4.984 4.470 0.001 0.000 0.285 -256 S C -0.972 173.628 174.600 0.001 0.000 1.138 -256 S CA -0.709 57.510 58.200 0.033 0.000 0.855 -256 S CB 1.973 65.231 63.200 0.097 0.000 1.136 -256 S HN 0.366 nan 8.310 nan 0.000 0.484 -255 L N 2.236 123.449 121.223 -0.017 0.000 2.361 -255 L HA 0.492 4.833 4.340 0.001 0.000 0.278 -255 L C -1.203 175.696 176.870 0.048 0.000 1.113 -255 L CA 0.356 55.174 54.840 -0.036 0.000 0.849 -255 L CB -0.341 41.666 42.059 -0.086 0.000 1.155 -255 L HN 0.516 nan 8.230 nan 0.000 0.452 -254 I N 6.498 127.055 120.570 -0.021 0.000 2.377 -254 I HA 0.371 4.542 4.170 0.001 0.000 0.293 -254 I C -0.976 175.167 176.117 0.043 0.000 0.987 -254 I CA -0.747 60.526 61.300 -0.045 0.000 1.185 -254 I CB 1.174 38.998 38.000 -0.294 0.000 1.341 -254 I HN 0.606 nan 8.210 nan 0.000 0.455 -253 Y N 4.248 124.622 120.300 0.123 0.000 2.524 -253 Y HA 0.496 5.046 4.550 0.001 0.000 0.347 -253 Y C -0.846 175.295 175.900 0.401 0.000 1.005 -253 Y CA -1.489 56.777 58.100 0.278 0.000 1.025 -253 Y CB 0.922 39.444 38.460 0.103 0.000 1.275 -253 Y HN 0.449 nan 8.280 nan 0.000 0.460 -252 N N 3.128 122.044 118.700 0.360 0.000 2.401 -252 N HA 0.118 4.858 4.740 0.001 0.000 0.255 -252 N C 0.179 175.732 175.510 0.071 0.000 1.110 -252 N CA 0.034 53.122 53.050 0.062 0.000 0.949 -252 N CB 1.017 39.433 38.487 -0.117 0.000 1.110 -252 N HN 0.918 nan 8.380 nan 0.000 0.490 -251 K N 1.930 122.298 120.400 -0.054 0.000 2.283 -251 K HA -0.082 4.239 4.320 0.001 0.000 0.202 -251 K C 0.387 177.009 176.600 0.037 0.000 1.048 -251 K CA 0.971 57.267 56.287 0.015 0.000 0.948 -251 K CB 0.393 32.843 32.500 -0.083 0.000 0.742 -251 K HN 0.500 nan 8.250 nan 0.000 0.458 -250 D N 0.679 121.078 120.400 -0.002 0.000 2.137 -250 D HA -0.057 4.583 4.640 0.001 0.000 0.202 -250 D C 1.854 178.158 176.300 0.007 0.000 0.970 -250 D CA 0.857 54.853 54.000 -0.006 0.000 0.837 -250 D CB 0.048 40.830 40.800 -0.030 0.000 0.981 -250 D HN 0.106 nan 8.370 nan 0.000 0.475 -249 L N -0.370 120.859 121.223 0.012 0.000 2.095 -249 L HA 0.074 4.414 4.340 0.001 0.000 0.204 -249 L C 0.799 177.699 176.870 0.050 0.000 1.080 -249 L CA 0.616 55.468 54.840 0.021 0.000 0.759 -249 L CB 0.239 42.303 42.059 0.010 0.000 0.914 -249 L HN -0.084 nan 8.230 nan 0.000 0.439 -248 L N 0.132 121.415 121.223 0.100 0.000 2.454 -248 L HA 0.232 4.573 4.340 0.001 0.000 0.258 -248 L C -1.853 175.118 176.870 0.168 0.000 1.025 -248 L CA -1.353 53.555 54.840 0.113 0.000 0.901 -248 L CB 1.995 44.134 42.059 0.133 0.000 1.210 -248 L HN -0.175 nan 8.230 nan 0.000 0.457 -247 P HA -0.040 nan 4.420 nan 0.000 0.219 -247 P C -0.117 177.225 177.300 0.071 0.000 1.150 -247 P CA 1.030 64.196 63.100 0.110 0.000 0.814 -247 P CB 0.265 31.994 31.700 0.048 0.000 0.787 -246 N N 0.413 119.102 118.700 -0.017 0.000 2.706 -246 N HA 0.212 4.952 4.740 0.001 0.000 0.240 -246 N C -2.544 172.844 175.510 -0.203 0.000 1.039 -246 N CA -1.547 51.437 53.050 -0.110 0.000 0.888 -246 N CB 0.494 38.937 38.487 -0.074 0.000 1.128 -246 N HN 0.161 nan 8.380 nan 0.000 0.512 -245 P HA 0.165 nan 4.420 nan 0.000 0.269 -245 P C -2.450 174.678 177.300 -0.287 0.000 1.209 -245 P CA -0.752 62.075 63.100 -0.456 0.000 0.776 -245 P CB -0.028 31.126 31.700 -0.909 0.000 0.876 -244 P HA 0.073 nan 4.420 nan 0.000 0.269 -244 P C 0.485 177.673 177.300 -0.187 0.000 1.209 -244 P CA -0.031 62.967 63.100 -0.170 0.000 0.776 -244 P CB 0.752 32.361 31.700 -0.152 0.000 0.876 -243 K N 0.189 120.506 120.400 -0.138 0.000 2.400 -243 K HA 0.080 4.401 4.320 0.001 0.000 0.194 -243 K C 0.980 177.514 176.600 -0.110 0.000 1.033 -243 K CA 0.759 56.973 56.287 -0.123 0.000 1.021 -243 K CB -0.113 32.334 32.500 -0.089 0.000 0.808 -243 K HN 0.704 nan 8.250 nan 0.000 0.505 -242 T N -4.512 109.980 114.554 -0.104 0.000 2.909 -242 T HA 0.273 4.623 4.350 0.001 0.000 0.299 -242 T C 0.383 175.055 174.700 -0.047 0.000 1.073 -242 T CA -0.869 61.203 62.100 -0.048 0.000 0.999 -242 T CB 0.800 69.665 68.868 -0.004 0.000 1.098 -242 T HN 0.101 nan 8.240 nan 0.000 0.477 -241 W N 1.026 122.292 121.300 -0.056 0.000 2.364 -241 W HA 0.045 4.706 4.660 0.001 0.000 0.281 -241 W C 2.028 178.561 176.519 0.023 0.000 1.219 -241 W CA 1.071 58.372 57.345 -0.073 0.000 1.220 -241 W CB -0.155 29.119 29.460 -0.310 0.000 1.127 -241 W HN 0.831 nan 8.180 nan 0.000 0.556 -240 E N 0.057 120.371 120.200 0.190 0.000 2.204 -240 E HA -0.182 4.168 4.350 0.001 0.000 0.194 -240 E C 1.634 178.374 176.600 0.233 0.000 0.989 -240 E CA 1.456 58.015 56.400 0.264 0.000 0.824 -240 E CB -0.340 29.441 29.700 0.134 0.000 0.756 -240 E HN 0.417 nan 8.360 nan 0.000 0.477 -239 E N 0.174 120.448 120.200 0.125 0.000 2.358 -239 E HA -0.044 4.307 4.350 0.001 0.000 0.195 -239 E C 1.764 178.396 176.600 0.055 0.000 1.010 -239 E CA 0.281 56.719 56.400 0.063 0.000 0.856 -239 E CB -0.053 29.651 29.700 0.006 0.000 0.795 -239 E HN 0.279 nan 8.360 nan 0.000 0.504 -238 I N 1.676 122.311 120.570 0.108 0.000 2.163 -238 I HA -0.202 3.969 4.170 0.001 0.000 0.243 -238 I C -0.687 175.399 176.117 -0.051 0.000 1.085 -238 I CA 1.129 62.467 61.300 0.063 0.000 1.347 -238 I CB -1.016 37.072 38.000 0.147 0.000 1.044 -238 I HN 0.052 nan 8.210 nan 0.000 0.408 -237 P HA -0.261 nan 4.420 nan 0.000 0.214 -237 P C 1.516 178.606 177.300 -0.350 0.000 1.169 -237 P CA 2.239 65.048 63.100 -0.486 0.000 0.908 -237 P CB -0.082 31.489 31.700 -0.215 0.000 0.791 -236 A N -0.976 121.775 122.820 -0.114 0.000 1.940 -236 A HA -0.195 4.126 4.320 0.001 0.000 0.219 -236 A C 2.150 179.709 177.584 -0.042 0.000 1.176 -236 A CA 1.554 53.563 52.037 -0.046 0.000 0.631 -236 A CB -1.692 17.305 19.000 -0.005 0.000 0.814 -236 A HN 0.154 nan 8.150 nan 0.000 0.446 -235 L N 0.285 121.480 121.223 -0.046 0.000 2.083 -235 L HA -0.145 4.195 4.340 0.001 0.000 0.209 -235 L C 1.817 178.677 176.870 -0.017 0.000 1.083 -235 L CA 2.668 57.493 54.840 -0.025 0.000 0.752 -235 L CB -0.847 41.198 42.059 -0.024 0.000 0.899 -235 L HN 0.491 nan 8.230 nan 0.000 0.433 -234 D N -0.885 119.485 120.400 -0.051 0.000 2.144 -234 D HA -0.220 4.420 4.640 0.001 0.000 0.200 -234 D C 2.258 178.594 176.300 0.059 0.000 0.978 -234 D CA 1.113 55.118 54.000 0.009 0.000 0.833 -234 D CB 0.018 40.823 40.800 0.008 0.000 0.961 -234 D HN 0.282 nan 8.370 nan 0.000 0.470 -233 K N 0.209 120.634 120.400 0.043 0.000 2.057 -233 K HA -0.173 4.148 4.320 0.001 0.000 0.207 -233 K C 1.931 178.558 176.600 0.046 0.000 1.049 -233 K CA 1.324 57.656 56.287 0.076 0.000 0.931 -233 K CB 0.021 32.567 32.500 0.076 0.000 0.714 -233 K HN 0.221 nan 8.250 nan 0.000 0.440 -232 E N 0.394 120.610 120.200 0.026 0.000 2.085 -232 E HA -0.202 4.149 4.350 0.001 0.000 0.194 -232 E C 2.058 178.672 176.600 0.023 0.000 0.994 -232 E CA 1.222 57.634 56.400 0.020 0.000 0.801 -232 E CB -0.038 29.669 29.700 0.011 0.000 0.743 -232 E HN 0.288 nan 8.360 nan 0.000 0.453 -231 L N 0.663 121.903 121.223 0.028 0.000 2.209 -231 L HA -0.077 4.264 4.340 0.001 0.000 0.207 -231 L C 2.254 179.144 176.870 0.033 0.000 1.094 -231 L CA 0.566 55.423 54.840 0.029 0.000 0.790 -231 L CB -0.057 42.023 42.059 0.034 0.000 0.932 -231 L HN -0.047 nan 8.230 nan 0.000 0.447 -230 K N 0.331 120.757 120.400 0.045 0.000 2.209 -230 K HA -0.066 4.254 4.320 0.001 0.000 0.204 -230 K C 2.037 178.654 176.600 0.029 0.000 1.048 -230 K CA 1.294 57.607 56.287 0.042 0.000 0.940 -230 K CB -0.268 32.266 32.500 0.057 0.000 0.729 -230 K HN 0.263 nan 8.250 nan 0.000 0.451 -229 A N 1.381 124.217 122.820 0.027 0.000 2.119 -229 A HA -0.105 4.216 4.320 0.001 0.000 0.217 -229 A C 1.472 179.065 177.584 0.013 0.000 1.153 -229 A CA 1.088 53.136 52.037 0.019 0.000 0.692 -229 A CB -0.092 18.919 19.000 0.018 0.000 0.799 -229 A HN 0.233 nan 8.150 nan 0.000 0.458 -228 K N -1.135 119.273 120.400 0.014 0.000 2.397 -228 K HA 0.314 4.634 4.320 0.001 0.000 0.202 -228 K C 0.836 177.440 176.600 0.007 0.000 1.022 -228 K CA 0.330 56.623 56.287 0.008 0.000 1.141 -228 K CB 0.209 32.714 32.500 0.007 0.000 0.857 -228 K HN 0.496 nan 8.250 nan 0.000 0.514 -227 G N 2.020 110.826 108.800 0.010 0.000 2.153 -227 G HA2 -0.267 3.694 3.960 0.001 0.000 0.252 -227 G HA3 -0.267 3.694 3.960 0.001 0.000 0.252 -227 G C 0.043 174.948 174.900 0.009 0.000 0.994 -227 G CA 0.560 45.664 45.100 0.008 0.000 0.698 -227 G HN 0.156 nan 8.290 nan 0.000 0.521 -226 K N -0.467 119.941 120.400 0.014 0.000 2.296 -226 K HA 0.859 5.180 4.320 0.001 0.000 0.243 -226 K C 0.374 176.994 176.600 0.033 0.000 1.082 -226 K CA 0.081 56.378 56.287 0.017 0.000 0.929 -226 K CB 1.522 34.029 32.500 0.011 0.000 1.353 -226 K HN 0.743 nan 8.250 nan 0.000 0.536 -225 S N -1.910 113.816 115.700 0.045 0.000 2.618 -225 S HA 0.598 5.068 4.470 0.001 0.000 0.277 -225 S C 0.402 175.049 174.600 0.079 0.000 1.138 -225 S CA -0.196 58.044 58.200 0.066 0.000 0.844 -225 S CB 1.621 64.863 63.200 0.070 0.000 1.127 -225 S HN 0.523 nan 8.310 nan 0.000 0.474 -224 A N 0.381 123.255 122.820 0.089 0.000 1.874 -224 A HA 0.530 4.851 4.320 0.001 0.000 0.214 -224 A C 0.559 178.216 177.584 0.122 0.000 1.189 -224 A CA 1.170 53.260 52.037 0.087 0.000 0.615 -224 A CB -0.612 18.424 19.000 0.060 0.000 0.830 -224 A HN 1.381 nan 8.150 nan 0.000 0.443 -223 L N -1.388 119.925 121.223 0.149 0.000 2.565 -223 L HA 0.691 5.031 4.340 0.001 0.000 0.261 -223 L C -1.446 175.555 176.870 0.218 0.000 0.932 -223 L CA -0.119 54.840 54.840 0.199 0.000 0.878 -223 L CB 1.708 43.893 42.059 0.211 0.000 1.333 -223 L HN 0.283 nan 8.230 nan 0.000 0.409 -222 M N 6.028 125.767 119.600 0.232 0.000 2.271 -222 M HA 0.666 5.146 4.480 0.001 0.000 0.285 -222 M C -1.475 174.954 176.300 0.214 0.000 1.059 -222 M CA -0.396 54.991 55.300 0.145 0.000 0.940 -222 M CB 2.020 34.666 32.600 0.076 0.000 1.636 -222 M HN 0.588 nan 8.290 nan 0.000 0.460 -221 F N 0.028 119.974 119.950 -0.007 0.000 2.711 -221 F HA 0.610 5.137 4.527 0.001 0.000 0.313 -221 F C -0.761 174.948 175.800 -0.152 0.000 1.141 -221 F CA -1.338 56.609 58.000 -0.088 0.000 0.941 -221 F CB 0.858 39.873 39.000 0.025 0.000 1.349 -221 F HN 0.439 nan 8.300 nan 0.000 0.464 -220 N N 1.674 120.212 118.700 -0.270 0.000 2.427 -220 N HA 0.138 4.878 4.740 0.001 0.000 0.269 -220 N C 0.142 175.537 175.510 -0.192 0.000 1.235 -220 N CA 0.109 52.945 53.050 -0.357 0.000 0.934 -220 N CB 0.491 38.580 38.487 -0.662 0.000 1.121 -220 N HN 0.820 nan 8.380 nan 0.000 0.480 -219 L N 2.209 123.310 121.223 -0.204 0.000 2.592 -219 L HA 0.082 4.422 4.340 0.001 0.000 0.227 -219 L C 1.353 178.230 176.870 0.013 0.000 1.127 -219 L CA 0.197 54.962 54.840 -0.124 0.000 0.884 -219 L CB 0.074 42.006 42.059 -0.212 0.000 1.065 -219 L HN 0.477 nan 8.230 nan 0.000 0.457 -218 Q N -0.296 119.522 119.800 0.031 0.000 2.402 -218 Q HA 0.138 4.478 4.340 0.001 0.000 0.206 -218 Q C 0.133 176.209 176.000 0.127 0.000 0.919 -218 Q CA 0.585 56.423 55.803 0.059 0.000 0.923 -218 Q CB 0.553 29.314 28.738 0.038 0.000 1.048 -218 Q HN 0.284 nan 8.270 nan 0.000 0.515 -217 E N 1.415 121.758 120.200 0.238 0.000 2.165 -217 E HA 0.185 4.535 4.350 0.001 0.000 0.266 -217 E C -1.836 175.023 176.600 0.432 0.000 0.889 -217 E CA -2.063 54.533 56.400 0.327 0.000 0.756 -217 E CB 1.982 31.953 29.700 0.450 0.000 1.131 -217 E HN -0.109 nan 8.360 nan 0.000 0.411 -216 P HA -0.187 nan 4.420 nan 0.000 0.221 -216 P C 1.330 178.946 177.300 0.527 0.000 1.145 -216 P CA 0.850 64.195 63.100 0.409 0.000 0.795 -216 P CB 0.156 32.107 31.700 0.418 0.000 0.775 -215 Y N 0.447 120.839 120.300 0.153 0.000 2.193 -215 Y HA -0.219 4.331 4.550 0.001 0.000 0.285 -215 Y C 1.916 177.884 175.900 0.113 0.000 1.166 -215 Y CA 1.678 59.781 58.100 0.006 0.000 1.181 -215 Y CB -1.031 37.194 38.460 -0.392 0.000 0.976 -215 Y HN -0.190 nan 8.280 nan 0.000 0.520 -214 F N -1.326 118.832 119.950 0.348 0.000 2.416 -214 F HA -0.027 4.501 4.527 0.001 0.000 0.296 -214 F C 2.490 178.464 175.800 0.289 0.000 1.099 -214 F CA 1.263 59.444 58.000 0.302 0.000 1.427 -214 F CB -0.511 38.803 39.000 0.524 0.000 1.079 -214 F HN 0.094 nan 8.300 nan 0.000 0.536 -213 T N -3.448 111.425 114.554 0.532 0.000 3.014 -213 T HA -0.127 4.223 4.350 0.001 0.000 0.250 -213 T C 1.865 176.693 174.700 0.213 0.000 1.060 -213 T CA -0.143 62.181 62.100 0.374 0.000 1.040 -213 T CB -0.708 68.376 68.868 0.360 0.000 0.971 -213 T HN 0.494 nan 8.240 nan 0.000 0.497 -212 W N 3.019 124.397 121.300 0.131 0.000 2.302 -212 W HA -0.141 4.520 4.660 0.001 0.000 0.320 -212 W C -1.624 174.871 176.519 -0.040 0.000 1.241 -212 W CA 1.823 59.217 57.345 0.081 0.000 1.264 -212 W CB -1.303 28.292 29.460 0.224 0.000 1.154 -212 W HN 0.287 nan 8.180 nan 0.000 0.483 -211 P HA -0.243 nan 4.420 nan 0.000 0.217 -211 P C 1.741 178.876 177.300 -0.275 0.000 1.151 -211 P CA 1.967 64.974 63.100 -0.153 0.000 0.849 -211 P CB -0.554 31.140 31.700 -0.010 0.000 0.787 -210 L N -1.396 119.632 121.223 -0.326 0.000 2.179 -210 L HA 0.034 4.374 4.340 0.001 0.000 0.208 -210 L C 2.133 178.649 176.870 -0.589 0.000 1.096 -210 L CA 1.446 55.936 54.840 -0.584 0.000 0.779 -210 L CB -1.049 40.440 42.059 -0.951 0.000 0.922 -210 L HN -0.147 nan 8.230 nan 0.000 0.443 -209 I N -0.142 120.110 120.570 -0.531 0.000 2.394 -209 I HA -0.204 3.966 4.170 0.001 0.000 0.251 -209 I C 2.397 178.115 176.117 -0.664 0.000 1.136 -209 I CA 1.064 62.044 61.300 -0.532 0.000 1.425 -209 I CB -0.434 37.303 38.000 -0.440 0.000 1.079 -209 I HN 0.367 nan 8.210 nan 0.000 0.425 -208 A N 0.436 122.715 122.820 -0.902 0.000 2.021 -208 A HA 0.117 4.438 4.320 0.001 0.000 0.216 -208 A C 2.530 179.904 177.584 -0.350 0.000 1.163 -208 A CA 1.020 52.593 52.037 -0.774 0.000 0.676 -208 A CB -0.474 17.928 19.000 -0.996 0.000 0.818 -208 A HN 0.358 nan 8.150 nan 0.000 0.453 -207 A N 0.325 122.982 122.820 -0.272 0.000 1.884 -207 A HA -0.279 4.042 4.320 0.001 0.000 0.219 -207 A C 1.746 179.319 177.584 -0.018 0.000 1.197 -207 A CA 2.330 54.315 52.037 -0.087 0.000 0.637 -207 A CB -0.559 18.443 19.000 0.003 0.000 0.827 -207 A HN 0.457 nan 8.150 nan 0.000 0.450 -206 D N -3.071 117.344 120.400 0.025 0.000 2.340 -206 D HA 0.355 4.995 4.640 0.001 0.000 0.217 -206 D C 0.851 177.150 176.300 -0.001 0.000 1.081 -206 D CA 1.055 55.071 54.000 0.026 0.000 0.842 -206 D CB 0.143 40.993 40.800 0.083 0.000 0.934 -206 D HN 0.539 nan 8.370 nan 0.000 0.511 -205 G N -1.145 107.641 108.800 -0.023 0.000 2.370 -205 G HA2 -0.041 3.920 3.960 0.001 0.000 0.174 -205 G HA3 -0.041 3.920 3.960 0.001 0.000 0.174 -205 G C 0.670 175.609 174.900 0.065 0.000 1.002 -205 G CA -0.266 44.854 45.100 0.033 0.000 0.730 -205 G HN 0.479 nan 8.290 nan 0.000 0.497 -204 G N 0.346 109.094 108.800 -0.086 0.000 2.442 -204 G HA2 0.652 4.612 3.960 0.001 0.000 0.249 -204 G HA3 0.652 4.612 3.960 0.001 0.000 0.249 -204 G C -0.282 174.599 174.900 -0.032 0.000 1.263 -204 G CA 0.422 45.427 45.100 -0.158 0.000 0.846 -204 G HN 1.410 nan 8.290 nan 0.000 0.555 -203 Y N -1.238 119.111 120.300 0.081 0.000 2.597 -203 Y HA 0.737 5.288 4.550 0.001 0.000 0.340 -203 Y C 0.614 176.688 175.900 0.290 0.000 1.097 -203 Y CA -0.853 57.390 58.100 0.238 0.000 1.037 -203 Y CB 0.804 39.348 38.460 0.140 0.000 1.305 -203 Y HN 0.689 nan 8.280 nan 0.000 0.463 -202 A N 1.678 124.667 122.820 0.282 0.000 1.935 -202 A HA 0.302 4.622 4.320 0.001 0.000 0.211 -202 A C -0.408 176.892 177.584 -0.475 0.000 1.388 -202 A CA 0.920 52.633 52.037 -0.540 0.000 0.600 -202 A CB -0.597 17.802 19.000 -1.002 0.000 1.011 -202 A HN 0.581 nan 8.150 nan 0.000 0.481 -201 F N -0.565 119.456 119.950 0.119 0.000 2.482 -201 F HA 0.494 5.021 4.527 0.001 0.000 0.331 -201 F C 0.194 176.270 175.800 0.460 0.000 1.115 -201 F CA -0.776 57.382 58.000 0.262 0.000 0.955 -201 F CB 1.643 40.695 39.000 0.087 0.000 1.136 -201 F HN 0.174 nan 8.300 nan 0.000 0.452 -200 K N 2.736 123.474 120.400 0.564 0.000 2.416 -200 K HA 0.088 4.408 4.320 0.001 0.000 0.283 -200 K C -1.341 175.423 176.600 0.274 0.000 1.037 -200 K CA -0.084 56.343 56.287 0.234 0.000 0.995 -200 K CB 0.270 32.824 32.500 0.090 0.000 0.938 -200 K HN 0.634 nan 8.250 nan 0.000 0.475 -199 Y N 4.665 124.996 120.300 0.052 0.000 2.320 -199 Y HA 0.233 4.784 4.550 0.001 0.000 0.334 -199 Y C -0.891 174.939 175.900 -0.118 0.000 1.055 -199 Y CA -0.099 57.921 58.100 -0.133 0.000 1.143 -199 Y CB 0.757 39.067 38.460 -0.250 0.000 1.193 -199 Y HN 0.736 nan 8.280 nan 0.000 0.477 -198 E N 3.532 123.281 120.200 -0.751 0.000 2.401 -198 E HA 0.205 4.556 4.350 0.001 0.000 0.283 -198 E C -1.308 174.963 176.600 -0.549 0.000 1.053 -198 E CA -1.183 54.883 56.400 -0.557 0.000 0.842 -198 E CB 0.694 30.255 29.700 -0.233 0.000 1.222 -198 E HN 0.585 nan 8.360 nan 0.000 0.429 -197 N N 0.685 119.149 118.700 -0.394 0.000 2.714 -197 N HA -0.192 4.549 4.740 0.001 0.000 0.253 -197 N C 0.783 176.099 175.510 -0.323 0.000 1.024 -197 N CA 1.631 54.520 53.050 -0.268 0.000 0.726 -197 N CB -1.697 36.689 38.487 -0.168 0.000 0.908 -197 N HN 1.254 nan 8.380 nan 0.000 0.542 -196 G N -1.351 107.189 108.800 -0.433 0.000 2.233 -196 G HA2 -0.374 3.587 3.960 0.001 0.000 0.270 -196 G HA3 -0.374 3.587 3.960 0.001 0.000 0.270 -196 G C -0.020 174.730 174.900 -0.251 0.000 1.011 -196 G CA 1.273 46.238 45.100 -0.225 0.000 0.762 -196 G HN 0.672 nan 8.290 nan 0.000 0.511 -195 K N -1.311 118.731 120.400 -0.597 0.000 2.498 -195 K HA 0.486 4.807 4.320 0.001 0.000 0.254 -195 K C -1.078 175.330 176.600 -0.321 0.000 0.933 -195 K CA -0.938 55.183 56.287 -0.277 0.000 0.806 -195 K CB 1.520 33.931 32.500 -0.149 0.000 1.301 -195 K HN 0.065 nan 8.250 nan 0.000 0.432 -194 Y N 1.122 121.486 120.300 0.106 0.000 2.365 -194 Y HA 0.077 4.628 4.550 0.001 0.000 0.340 -194 Y C 0.278 176.214 175.900 0.060 0.000 1.016 -194 Y CA -0.356 57.831 58.100 0.146 0.000 1.196 -194 Y CB 0.691 39.234 38.460 0.138 0.000 1.167 -194 Y HN 0.459 nan 8.280 nan 0.000 0.509 -193 D N 4.523 125.071 120.400 0.247 0.000 2.393 -193 D HA 0.077 4.718 4.640 0.001 0.000 0.232 -193 D C 0.905 177.368 176.300 0.271 0.000 1.192 -193 D CA -0.197 53.914 54.000 0.185 0.000 0.882 -193 D CB 0.381 41.268 40.800 0.145 0.000 1.038 -193 D HN 0.614 nan 8.370 nan 0.000 0.499 -192 I N 0.513 121.181 120.570 0.163 0.000 3.334 -192 I HA -0.002 4.169 4.170 0.001 0.000 0.282 -192 I C 1.132 177.409 176.117 0.267 0.000 1.313 -192 I CA 0.442 61.845 61.300 0.172 0.000 1.396 -192 I CB -0.009 37.961 38.000 -0.050 0.000 1.054 -192 I HN 0.065 nan 8.210 nan 0.000 0.495 -191 K N 0.438 120.963 120.400 0.207 0.000 2.367 -191 K HA 0.116 4.436 4.320 0.001 0.000 0.194 -191 K C -0.018 176.696 176.600 0.190 0.000 1.027 -191 K CA 0.088 56.478 56.287 0.172 0.000 1.075 -191 K CB 0.239 32.809 32.500 0.117 0.000 0.845 -191 K HN 0.188 nan 8.250 nan 0.000 0.529 -190 D N 1.557 122.109 120.400 0.254 0.000 2.462 -190 D HA 0.138 4.778 4.640 0.001 0.000 0.249 -190 D C -1.285 175.205 176.300 0.318 0.000 1.117 -190 D CA -0.356 53.804 54.000 0.266 0.000 0.900 -190 D CB 0.919 41.879 40.800 0.266 0.000 1.039 -190 D HN -0.265 nan 8.370 nan 0.000 0.516 -189 V N 2.024 122.019 119.914 0.135 0.000 2.483 -189 V HA 0.651 4.771 4.120 0.001 0.000 0.295 -189 V C 1.234 177.133 176.094 -0.325 0.000 1.035 -189 V CA -0.741 61.503 62.300 -0.094 0.000 0.896 -189 V CB 1.958 33.718 31.823 -0.104 0.000 0.986 -189 V HN 0.584 nan 8.190 nan 0.000 0.447 -188 G N 2.448 110.751 108.800 -0.828 0.000 4.486 -188 G HA2 0.307 4.267 3.960 0.001 0.000 0.306 -188 G HA3 0.307 4.267 3.960 0.001 0.000 0.306 -188 G C 0.375 174.969 174.900 -0.509 0.000 1.331 -188 G CA 0.040 44.372 45.100 -1.282 0.000 1.113 -188 G HN 0.537 nan 8.290 nan 0.000 0.594 -187 V N -0.551 119.235 119.914 -0.214 0.000 3.590 -187 V HA 0.135 4.256 4.120 0.001 0.000 0.265 -187 V C 1.140 177.211 176.094 -0.039 0.000 1.239 -187 V CA 1.167 63.456 62.300 -0.019 0.000 1.117 -187 V CB 0.842 32.701 31.823 0.060 0.000 0.818 -187 V HN 0.395 nan 8.190 nan 0.000 0.451 -186 D N -0.298 120.059 120.400 -0.072 0.000 2.563 -186 D HA 0.116 4.756 4.640 0.001 0.000 0.237 -186 D C 0.465 176.743 176.300 -0.036 0.000 1.282 -186 D CA -0.166 53.811 54.000 -0.038 0.000 0.816 -186 D CB 0.097 40.885 40.800 -0.020 0.000 1.066 -186 D HN 0.593 nan 8.370 nan 0.000 0.501 -185 N N -0.270 118.395 118.700 -0.058 0.000 2.379 -185 N HA 0.258 4.998 4.740 0.001 0.000 0.260 -185 N C 1.417 176.922 175.510 -0.008 0.000 1.254 -185 N CA 0.134 53.171 53.050 -0.023 0.000 0.958 -185 N CB 0.314 38.797 38.487 -0.008 0.000 1.208 -185 N HN -0.126 nan 8.380 nan 0.000 0.532 -184 A N -0.109 122.718 122.820 0.010 0.000 1.892 -184 A HA -0.094 4.226 4.320 0.001 0.000 0.218 -184 A C 2.068 179.662 177.584 0.018 0.000 1.188 -184 A CA 2.313 54.358 52.037 0.015 0.000 0.631 -184 A CB -1.814 17.197 19.000 0.017 0.000 0.822 -184 A HN 0.829 nan 8.150 nan 0.000 0.447 -183 G N -0.673 108.135 108.800 0.013 0.000 2.459 -183 G HA2 -0.040 3.920 3.960 0.001 0.000 0.217 -183 G HA3 -0.040 3.920 3.960 0.001 0.000 0.217 -183 G C 1.820 176.709 174.900 -0.018 0.000 1.183 -183 G CA 1.774 46.881 45.100 0.013 0.000 0.776 -183 G HN 0.912 nan 8.290 nan 0.000 0.552 -182 A N 0.761 123.541 122.820 -0.067 0.000 1.908 -182 A HA -0.088 4.233 4.320 0.001 0.000 0.218 -182 A C 2.315 179.863 177.584 -0.061 0.000 1.181 -182 A CA 2.170 54.143 52.037 -0.106 0.000 0.627 -182 A CB -0.436 18.506 19.000 -0.097 0.000 0.818 -182 A HN 0.402 nan 8.150 nan 0.000 0.445 -181 K N -0.527 119.860 120.400 -0.021 0.000 2.057 -181 K HA -0.084 4.237 4.320 0.001 0.000 0.207 -181 K C 2.338 178.956 176.600 0.030 0.000 1.049 -181 K CA 1.122 57.410 56.287 0.002 0.000 0.931 -181 K CB -0.324 32.184 32.500 0.013 0.000 0.714 -181 K HN 0.470 nan 8.250 nan 0.000 0.440 -180 A N 1.150 124.015 122.820 0.075 0.000 1.873 -180 A HA -0.086 4.235 4.320 0.001 0.000 0.215 -180 A C 2.434 180.116 177.584 0.163 0.000 1.186 -180 A CA 1.916 54.070 52.037 0.196 0.000 0.616 -180 A CB -1.253 17.907 19.000 0.267 0.000 0.823 -180 A HN 0.421 nan 8.150 nan 0.000 0.442 -179 G N -0.329 108.448 108.800 -0.039 0.000 2.446 -179 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 -179 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 -179 G C 1.482 176.172 174.900 -0.350 0.000 1.168 -179 G CA 1.317 46.115 45.100 -0.502 0.000 0.771 -179 G HN 0.464 nan 8.290 nan 0.000 0.551 -178 L N 0.738 121.862 121.223 -0.166 0.000 2.156 -178 L HA 0.114 4.455 4.340 0.001 0.000 0.208 -178 L C 2.874 179.714 176.870 -0.050 0.000 1.095 -178 L CA 2.093 56.874 54.840 -0.099 0.000 0.770 -178 L CB -0.766 41.261 42.059 -0.053 0.000 0.914 -178 L HN 0.161 nan 8.230 nan 0.000 0.439 -177 T N -0.786 113.763 114.554 -0.008 0.000 2.746 -177 T HA -0.210 4.140 4.350 0.001 0.000 0.267 -177 T C 1.637 176.364 174.700 0.045 0.000 1.039 -177 T CA 1.806 63.923 62.100 0.030 0.000 1.142 -177 T CB -0.484 68.425 68.868 0.069 0.000 0.866 -177 T HN 0.352 nan 8.240 nan 0.000 0.444 -176 F N 1.264 121.157 119.950 -0.095 0.000 2.134 -176 F HA -0.025 4.503 4.527 0.001 0.000 0.299 -176 F C 1.991 177.729 175.800 -0.104 0.000 1.097 -176 F CA 0.836 58.781 58.000 -0.091 0.000 1.264 -176 F CB -0.352 38.506 39.000 -0.237 0.000 1.001 -176 F HN 0.042 nan 8.300 nan 0.000 0.479 -175 L N -0.561 120.641 121.223 -0.035 0.000 2.017 -175 L HA -0.171 4.170 4.340 0.001 0.000 0.208 -175 L C 2.231 179.061 176.870 -0.067 0.000 1.073 -175 L CA 1.409 56.220 54.840 -0.048 0.000 0.745 -175 L CB -0.636 41.398 42.059 -0.042 0.000 0.894 -175 L HN 0.006 nan 8.230 nan 0.000 0.432 -174 V N 0.002 119.880 119.914 -0.061 0.000 2.343 -174 V HA -0.308 3.812 4.120 0.001 0.000 0.247 -174 V C 2.203 178.251 176.094 -0.077 0.000 1.051 -174 V CA 2.058 64.325 62.300 -0.055 0.000 1.036 -174 V CB -0.757 31.044 31.823 -0.037 0.000 0.654 -174 V HN 0.511 nan 8.190 nan 0.000 0.451 -173 D N -0.030 120.304 120.400 -0.109 0.000 2.144 -173 D HA -0.137 4.504 4.640 0.001 0.000 0.199 -173 D C 2.160 178.375 176.300 -0.141 0.000 0.984 -173 D CA 1.119 55.041 54.000 -0.129 0.000 0.834 -173 D CB -0.260 40.452 40.800 -0.146 0.000 0.955 -173 D HN 0.343 nan 8.370 nan 0.000 0.465 -172 L N 0.428 121.535 121.223 -0.193 0.000 2.081 -172 L HA -0.193 4.147 4.340 0.001 0.000 0.212 -172 L C 2.477 179.333 176.870 -0.024 0.000 1.080 -172 L CA 0.884 55.692 54.840 -0.053 0.000 0.754 -172 L CB -0.293 41.760 42.059 -0.010 0.000 0.893 -172 L HN 0.050 nan 8.230 nan 0.000 0.433 -171 I N -0.763 119.775 120.570 -0.055 0.000 2.233 -171 I HA -0.243 3.928 4.170 0.001 0.000 0.243 -171 I C 2.518 178.586 176.117 -0.083 0.000 1.093 -171 I CA 1.098 62.362 61.300 -0.060 0.000 1.380 -171 I CB -0.262 37.706 38.000 -0.055 0.000 1.067 -171 I HN 0.136 nan 8.210 nan 0.000 0.413 -170 K N 0.938 121.290 120.400 -0.080 0.000 2.103 -170 K HA -0.180 4.140 4.320 0.001 0.000 0.207 -170 K C 1.337 177.868 176.600 -0.115 0.000 1.048 -170 K CA 1.769 58.008 56.287 -0.080 0.000 0.930 -170 K CB -0.334 32.128 32.500 -0.063 0.000 0.716 -170 K HN 0.413 nan 8.250 nan 0.000 0.444 -169 N N 0.518 119.123 118.700 -0.158 0.000 2.383 -169 N HA 0.009 4.749 4.740 0.001 0.000 0.192 -169 N C -0.746 174.460 175.510 -0.506 0.000 1.141 -169 N CA 0.012 52.893 53.050 -0.281 0.000 0.851 -169 N CB 0.316 38.666 38.487 -0.229 0.000 0.976 -169 N HN 0.048 nan 8.380 nan 0.000 0.465 -168 K N -0.146 120.068 120.400 -0.310 0.000 3.129 -168 K HA -0.216 4.105 4.320 0.001 0.000 0.273 -168 K C -0.522 175.930 176.600 -0.247 0.000 1.123 -168 K CA 0.486 56.632 56.287 -0.235 0.000 0.800 -168 K CB -1.811 30.581 32.500 -0.180 0.000 1.238 -168 K HN 0.552 nan 8.250 nan 0.000 0.492 -167 H N -0.892 118.171 119.070 -0.012 0.000 2.563 -167 H HA 0.264 4.820 4.556 0.001 0.000 0.264 -167 H C 1.009 176.349 175.328 0.020 0.000 0.957 -167 H CA 0.600 56.655 56.048 0.011 0.000 1.173 -167 H CB 0.326 30.099 29.762 0.019 0.000 1.420 -167 H HN 0.269 nan 8.280 nan 0.000 0.551 -166 M N -0.024 119.620 119.600 0.074 0.000 2.618 -166 M HA 0.236 4.717 4.480 0.001 0.000 0.281 -166 M C -0.723 175.559 176.300 -0.030 0.000 1.267 -166 M CA -0.738 54.574 55.300 0.021 0.000 0.845 -166 M CB 3.074 35.679 32.600 0.009 0.000 1.732 -166 M HN -0.142 nan 8.290 nan 0.000 0.461 -165 N N 0.309 118.978 118.700 -0.050 0.000 2.372 -165 N HA 0.496 5.237 4.740 0.001 0.000 0.285 -165 N C 0.060 175.525 175.510 -0.075 0.000 1.008 -165 N CA 0.057 53.074 53.050 -0.055 0.000 0.880 -165 N CB 2.143 40.604 38.487 -0.044 0.000 1.239 -165 N HN 0.823 nan 8.380 nan 0.000 0.484 -164 A N 3.034 125.815 122.820 -0.064 0.000 2.019 -164 A HA -0.138 4.183 4.320 0.001 0.000 0.219 -164 A C 1.269 178.816 177.584 -0.062 0.000 1.164 -164 A CA 1.346 53.344 52.037 -0.065 0.000 0.644 -164 A CB -0.117 18.853 19.000 -0.049 0.000 0.805 -164 A HN 0.716 nan 8.150 nan 0.000 0.449 -163 D N 0.137 120.506 120.400 -0.052 0.000 2.264 -163 D HA -0.033 4.607 4.640 0.001 0.000 0.208 -163 D C 0.442 176.710 176.300 -0.053 0.000 0.966 -163 D CA 0.931 54.905 54.000 -0.043 0.000 0.864 -163 D CB -0.713 40.067 40.800 -0.032 0.000 0.933 -163 D HN 0.315 nan 8.370 nan 0.000 0.499 -162 T N 2.568 117.075 114.554 -0.078 0.000 2.822 -162 T HA 0.126 4.477 4.350 0.001 0.000 0.288 -162 T C 0.254 174.893 174.700 -0.101 0.000 0.991 -162 T CA 0.014 62.056 62.100 -0.095 0.000 1.176 -162 T CB 0.484 69.269 68.868 -0.139 0.000 0.951 -162 T HN 0.219 nan 8.240 nan 0.000 0.526 -161 D N 1.462 121.824 120.400 -0.064 0.000 2.712 -161 D HA 0.181 4.821 4.640 0.001 0.000 0.252 -161 D C 1.002 177.284 176.300 -0.030 0.000 1.123 -161 D CA -1.020 52.959 54.000 -0.034 0.000 1.109 -161 D CB 0.064 40.873 40.800 0.016 0.000 1.313 -161 D HN 0.309 nan 8.370 nan 0.000 0.629 -160 Y N 0.446 120.692 120.300 -0.090 0.000 2.097 -160 Y HA -0.212 4.339 4.550 0.001 0.000 0.282 -160 Y C 2.525 178.417 175.900 -0.014 0.000 1.152 -160 Y CA 3.148 61.203 58.100 -0.076 0.000 1.136 -160 Y CB -0.248 38.196 38.460 -0.028 0.000 0.975 -160 Y HN 0.424 nan 8.280 nan 0.000 0.498 -159 S N -0.171 115.632 115.700 0.170 0.000 2.368 -159 S HA -0.190 4.281 4.470 0.001 0.000 0.224 -159 S C 2.023 176.635 174.600 0.020 0.000 1.029 -159 S CA 1.433 59.699 58.200 0.110 0.000 0.988 -159 S CB -0.979 62.295 63.200 0.124 0.000 0.838 -159 S HN 0.509 nan 8.310 nan 0.000 0.462 -158 I N 2.648 123.221 120.570 0.005 0.000 2.127 -158 I HA -0.243 3.928 4.170 0.001 0.000 0.241 -158 I C 3.069 179.170 176.117 -0.027 0.000 1.075 -158 I CA 1.395 62.688 61.300 -0.010 0.000 1.334 -158 I CB -0.727 37.263 38.000 -0.017 0.000 1.040 -158 I HN 0.393 nan 8.210 nan 0.000 0.405 -157 A N 0.100 122.876 122.820 -0.073 0.000 1.877 -157 A HA -0.286 4.034 4.320 0.001 0.000 0.216 -157 A C 2.331 179.880 177.584 -0.057 0.000 1.186 -157 A CA 2.082 54.074 52.037 -0.075 0.000 0.620 -157 A CB -0.739 18.176 19.000 -0.142 0.000 0.822 -157 A HN 0.522 nan 8.150 nan 0.000 0.443 -156 E N -0.276 119.833 120.200 -0.150 0.000 2.077 -156 E HA -0.125 4.225 4.350 0.001 0.000 0.193 -156 E C 2.136 178.754 176.600 0.030 0.000 0.989 -156 E CA 1.048 57.390 56.400 -0.097 0.000 0.800 -156 E CB -0.244 29.359 29.700 -0.162 0.000 0.746 -156 E HN 0.538 nan 8.360 nan 0.000 0.452 -155 A N 1.177 124.010 122.820 0.022 0.000 1.898 -155 A HA -0.047 4.273 4.320 0.001 0.000 0.216 -155 A C 2.393 179.999 177.584 0.037 0.000 1.181 -155 A CA 1.665 53.722 52.037 0.034 0.000 0.620 -155 A CB -0.760 18.256 19.000 0.027 0.000 0.819 -155 A HN 0.409 nan 8.150 nan 0.000 0.442 -154 A N -1.027 121.818 122.820 0.043 0.000 1.865 -154 A HA -0.110 4.211 4.320 0.001 0.000 0.217 -154 A C 2.099 179.718 177.584 0.058 0.000 1.191 -154 A CA 1.693 53.756 52.037 0.043 0.000 0.623 -154 A CB -0.842 18.189 19.000 0.051 0.000 0.826 -154 A HN 0.653 nan 8.150 nan 0.000 0.444 -153 F N 1.094 121.029 119.950 -0.026 0.000 2.126 -153 F HA -0.188 4.339 4.527 0.001 0.000 0.299 -153 F C 1.937 177.719 175.800 -0.030 0.000 1.096 -153 F CA 2.170 60.157 58.000 -0.023 0.000 1.255 -153 F CB -0.307 38.674 39.000 -0.032 0.000 0.997 -153 F HN 0.310 nan 8.300 nan 0.000 0.479 -152 N N -0.508 118.238 118.700 0.076 0.000 2.515 -152 N HA -0.084 4.656 4.740 0.001 0.000 0.185 -152 N C 1.200 176.667 175.510 -0.070 0.000 1.109 -152 N CA 0.156 53.206 53.050 -0.001 0.000 0.903 -152 N CB -0.005 38.519 38.487 0.062 0.000 0.969 -152 N HN 0.260 nan 8.380 nan 0.000 0.450 -151 K N 0.152 120.506 120.400 -0.076 0.000 2.358 -151 K HA 0.094 4.414 4.320 0.001 0.000 0.197 -151 K C 0.540 177.077 176.600 -0.105 0.000 1.025 -151 K CA -0.049 56.198 56.287 -0.067 0.000 1.104 -151 K CB 0.576 33.057 32.500 -0.032 0.000 0.855 -151 K HN 0.138 nan 8.250 nan 0.000 0.531 -150 G N 1.750 110.435 108.800 -0.193 0.000 2.198 -150 G HA2 -0.278 3.683 3.960 0.001 0.000 0.257 -150 G HA3 -0.278 3.683 3.960 0.001 0.000 0.257 -150 G C 0.257 175.077 174.900 -0.135 0.000 1.042 -150 G CA 0.637 45.610 45.100 -0.212 0.000 0.791 -150 G HN 0.513 nan 8.290 nan 0.000 0.502 -149 E N -1.275 118.864 120.200 -0.100 0.000 2.364 -149 E HA 0.142 4.492 4.350 0.001 0.000 0.196 -149 E C 1.046 177.640 176.600 -0.011 0.000 0.990 -149 E CA 0.806 57.182 56.400 -0.040 0.000 0.886 -149 E CB 0.616 30.306 29.700 -0.016 0.000 0.866 -149 E HN 0.318 nan 8.360 nan 0.000 0.493 -148 T N -1.197 113.356 114.554 -0.002 0.000 2.893 -148 T HA 0.484 4.834 4.350 0.001 0.000 0.291 -148 T C 0.352 175.108 174.700 0.093 0.000 1.028 -148 T CA -0.202 61.945 62.100 0.077 0.000 0.995 -148 T CB 1.710 70.665 68.868 0.146 0.000 1.051 -148 T HN 0.002 nan 8.240 nan 0.000 0.470 -147 A N 4.119 127.020 122.820 0.136 0.000 2.016 -147 A HA 0.426 4.747 4.320 0.001 0.000 0.217 -147 A C 0.785 178.593 177.584 0.374 0.000 1.162 -147 A CA 0.757 52.892 52.037 0.164 0.000 0.662 -147 A CB -0.119 18.952 19.000 0.119 0.000 0.812 -147 A HN 0.722 nan 8.150 nan 0.000 0.450 -146 M N -1.750 118.081 119.600 0.385 0.000 2.484 -146 M HA 0.444 4.924 4.480 0.001 0.000 0.289 -146 M C -0.781 175.626 176.300 0.178 0.000 1.206 -146 M CA -0.184 55.304 55.300 0.313 0.000 0.892 -146 M CB 2.638 35.319 32.600 0.135 0.000 1.712 -146 M HN 0.087 nan 8.290 nan 0.000 0.462 -145 T N 1.558 116.041 114.554 -0.117 0.000 2.841 -145 T HA 0.783 5.134 4.350 0.001 0.000 0.296 -145 T C -1.850 172.766 174.700 -0.141 0.000 1.166 -145 T CA -0.533 61.482 62.100 -0.142 0.000 1.007 -145 T CB 1.435 70.078 68.868 -0.376 0.000 1.253 -145 T HN 0.569 nan 8.240 nan 0.000 0.511 -144 I N 3.711 124.262 120.570 -0.032 0.000 2.410 -144 I HA 0.532 4.702 4.170 0.001 0.000 0.286 -144 I C -0.248 175.966 176.117 0.162 0.000 1.009 -144 I CA -0.676 60.614 61.300 -0.017 0.000 1.111 -144 I CB 1.525 39.416 38.000 -0.181 0.000 1.262 -144 I HN 0.477 nan 8.210 nan 0.000 0.443 -143 N N 3.070 121.824 118.700 0.090 0.000 3.106 -143 N HA 0.565 5.306 4.740 0.001 0.000 0.253 -143 N C -0.788 174.616 175.510 -0.176 0.000 1.506 -143 N CA -0.356 52.772 53.050 0.129 0.000 0.876 -143 N CB 2.343 40.825 38.487 -0.008 0.000 1.452 -143 N HN 0.602 nan 8.380 nan 0.000 0.542 -142 G N -0.036 108.317 108.800 -0.744 0.000 2.613 -142 G HA2 0.451 4.412 3.960 0.001 0.000 0.303 -142 G HA3 0.451 4.412 3.960 0.001 0.000 0.303 -142 G C -1.884 172.065 174.900 -1.585 0.000 1.312 -142 G CA -1.056 43.212 45.100 -1.387 0.000 1.036 -142 G HN 0.343 nan 8.290 nan 0.000 0.513 -141 P HA -0.122 nan 4.420 nan 0.000 0.216 -141 P C 1.440 177.941 177.300 -1.330 0.000 1.150 -141 P CA 1.775 63.705 63.100 -1.951 0.000 0.843 -141 P CB -0.047 30.933 31.700 -1.200 0.000 0.787 -140 W N -0.101 120.909 121.300 -0.484 0.000 2.359 -140 W HA -0.037 4.623 4.660 0.001 0.000 0.275 -140 W C 1.818 178.239 176.519 -0.163 0.000 1.217 -140 W CA 0.967 58.156 57.345 -0.260 0.000 1.196 -140 W CB -1.920 27.449 29.460 -0.152 0.000 1.129 -140 W HN -0.126 nan 8.180 nan 0.000 0.566 -139 A N -0.100 122.400 122.820 -0.533 0.000 2.123 -139 A HA 0.047 4.367 4.320 0.001 0.000 0.214 -139 A C 1.560 179.121 177.584 -0.038 0.000 1.152 -139 A CA 0.768 52.709 52.037 -0.160 0.000 0.728 -139 A CB -1.086 17.788 19.000 -0.209 0.000 0.814 -139 A HN 0.416 nan 8.150 nan 0.000 0.464 -138 W N -0.015 121.186 121.300 -0.165 0.000 2.388 -138 W HA -0.041 4.620 4.660 0.001 0.000 0.294 -138 W C 2.615 179.068 176.519 -0.109 0.000 1.212 -138 W CA 0.427 57.664 57.345 -0.180 0.000 1.271 -138 W CB -1.528 27.917 29.460 -0.025 0.000 1.126 -138 W HN 0.374 nan 8.180 nan 0.000 0.535 -137 S N 0.950 116.761 115.700 0.184 0.000 2.368 -137 S HA -0.233 4.238 4.470 0.001 0.000 0.226 -137 S C 1.764 176.409 174.600 0.076 0.000 1.044 -137 S CA 2.053 60.327 58.200 0.124 0.000 1.062 -137 S CB -0.375 62.876 63.200 0.084 0.000 0.931 -137 S HN 0.179 nan 8.310 nan 0.000 0.440 -136 N N 1.264 119.998 118.700 0.057 0.000 2.223 -136 N HA 0.008 4.748 4.740 0.001 0.000 0.185 -136 N C 1.666 177.184 175.510 0.014 0.000 1.016 -136 N CA 1.235 54.311 53.050 0.044 0.000 0.863 -136 N CB -0.524 38.001 38.487 0.063 0.000 0.983 -136 N HN 0.525 nan 8.380 nan 0.000 0.429 -135 I N 0.670 121.208 120.570 -0.053 0.000 2.315 -135 I HA -0.193 3.978 4.170 0.001 0.000 0.248 -135 I C 1.448 177.536 176.117 -0.049 0.000 1.117 -135 I CA 0.917 62.127 61.300 -0.150 0.000 1.404 -135 I CB -0.282 37.378 38.000 -0.566 0.000 1.071 -135 I HN -0.066 nan 8.210 nan 0.000 0.419 -134 D N 0.956 121.378 120.400 0.037 0.000 2.116 -134 D HA -0.165 4.475 4.640 0.001 0.000 0.193 -134 D C 2.247 178.598 176.300 0.085 0.000 0.998 -134 D CA 1.781 55.866 54.000 0.142 0.000 0.836 -134 D CB -0.431 40.461 40.800 0.153 0.000 0.951 -134 D HN 0.259 nan 8.370 nan 0.000 0.449 -133 T N 0.035 114.623 114.554 0.057 0.000 2.777 -133 T HA -0.129 4.221 4.350 0.001 0.000 0.266 -133 T C 2.042 176.762 174.700 0.032 0.000 1.040 -133 T CA 1.658 63.783 62.100 0.042 0.000 1.141 -133 T CB -0.275 68.614 68.868 0.035 0.000 0.868 -133 T HN 0.238 nan 8.240 nan 0.000 0.444 -132 S N 0.532 116.248 115.700 0.027 0.000 2.474 -132 S HA -0.028 4.442 4.470 0.001 0.000 0.235 -132 S C 1.202 175.808 174.600 0.010 0.000 0.997 -132 S CA 1.144 59.351 58.200 0.012 0.000 0.949 -132 S CB -0.265 62.936 63.200 0.002 0.000 0.766 -132 S HN 0.357 nan 8.310 nan 0.000 0.517 -131 K N -0.788 119.632 120.400 0.034 0.000 3.547 -131 K HA -0.102 4.218 4.320 0.001 0.000 0.309 -131 K C -0.337 176.279 176.600 0.028 0.000 1.324 -131 K CA 0.843 57.151 56.287 0.035 0.000 0.988 -131 K CB -2.449 30.059 32.500 0.013 0.000 1.261 -131 K HN 0.390 nan 8.250 nan 0.000 0.444 -130 V N 2.054 121.979 119.914 0.019 0.000 2.557 -130 V HA -0.051 4.069 4.120 0.001 0.000 0.301 -130 V C 0.833 176.984 176.094 0.094 0.000 1.026 -130 V CA 0.056 62.350 62.300 -0.011 0.000 1.137 -130 V CB 0.762 32.511 31.823 -0.123 0.000 0.917 -130 V HN 0.285 nan 8.190 nan 0.000 0.484 -129 N N 5.426 124.136 118.700 0.017 0.000 2.421 -129 N HA 0.118 4.858 4.740 0.001 0.000 0.260 -129 N C -0.786 174.706 175.510 -0.029 0.000 1.173 -129 N CA -0.127 52.913 53.050 -0.017 0.000 0.960 -129 N CB -0.179 38.271 38.487 -0.061 0.000 1.273 -129 N HN 0.589 nan 8.380 nan 0.000 0.497 -128 Y N 0.467 120.676 120.300 -0.153 0.000 2.487 -128 Y HA 0.852 5.402 4.550 0.001 0.000 0.337 -128 Y C 0.360 176.023 175.900 -0.396 0.000 1.076 -128 Y CA -1.577 56.398 58.100 -0.208 0.000 1.115 -128 Y CB 0.828 39.290 38.460 0.003 0.000 1.235 -128 Y HN 0.252 nan 8.280 nan 0.000 0.468 -127 G N 1.117 109.493 108.800 -0.707 0.000 2.453 -127 G HA2 0.586 4.546 3.960 0.001 0.000 0.323 -127 G HA3 0.586 4.546 3.960 0.001 0.000 0.323 -127 G C -1.925 172.814 174.900 -0.269 0.000 1.198 -127 G CA -1.138 43.540 45.100 -0.702 0.000 0.959 -127 G HN 0.676 nan 8.290 nan 0.000 0.482 -126 V N 0.659 120.489 119.914 -0.140 0.000 2.409 -126 V HA 0.709 4.829 4.120 0.001 0.000 0.291 -126 V C 0.263 176.388 176.094 0.051 0.000 1.020 -126 V CA -0.444 61.839 62.300 -0.028 0.000 0.848 -126 V CB 1.128 32.830 31.823 -0.201 0.000 0.990 -126 V HN 0.904 nan 8.190 nan 0.000 0.430 -125 T N 2.877 117.499 114.554 0.113 0.000 2.804 -125 T HA 0.526 4.876 4.350 0.001 0.000 0.290 -125 T C -0.763 173.941 174.700 0.006 0.000 1.099 -125 T CA -0.370 61.765 62.100 0.059 0.000 1.011 -125 T CB 2.028 70.927 68.868 0.052 0.000 1.291 -125 T HN 0.457 nan 8.240 nan 0.000 0.523 -124 V N 3.079 122.978 119.914 -0.025 0.000 2.673 -124 V HA 0.312 4.432 4.120 0.001 0.000 0.303 -124 V C 0.249 176.302 176.094 -0.068 0.000 1.046 -124 V CA 0.046 62.325 62.300 -0.036 0.000 1.126 -124 V CB -0.029 31.770 31.823 -0.040 0.000 0.934 -124 V HN 0.713 nan 8.190 nan 0.000 0.487 -123 L N 8.537 129.727 121.223 -0.055 0.000 2.461 -123 L HA 0.266 4.606 4.340 0.001 0.000 0.272 -123 L C -1.910 174.888 176.870 -0.120 0.000 1.197 -123 L CA -1.261 53.525 54.840 -0.091 0.000 0.836 -123 L CB 0.265 42.313 42.059 -0.018 0.000 1.105 -123 L HN 0.564 nan 8.230 nan 0.000 0.477 -122 P HA 0.072 nan 4.420 nan 0.000 0.269 -122 P C -0.632 176.664 177.300 -0.006 0.000 1.215 -122 P CA -0.457 62.480 63.100 -0.271 0.000 0.780 -122 P CB 0.390 31.678 31.700 -0.687 0.000 0.898 -121 T N -1.049 113.534 114.554 0.049 0.000 2.882 -121 T HA 0.533 4.884 4.350 0.001 0.000 0.287 -121 T C -0.731 174.156 174.700 0.312 0.000 1.014 -121 T CA -0.352 61.834 62.100 0.143 0.000 1.049 -121 T CB 0.252 69.144 68.868 0.039 0.000 1.001 -121 T HN 0.219 nan 8.240 nan 0.000 0.525 -120 F N 1.475 121.450 119.950 0.042 0.000 2.539 -120 F HA 0.457 4.985 4.527 0.001 0.000 0.318 -120 F C 0.409 176.144 175.800 -0.107 0.000 1.135 -120 F CA -1.342 56.608 58.000 -0.084 0.000 0.915 -120 F CB 1.362 40.218 39.000 -0.240 0.000 1.176 -120 F HN 0.867 nan 8.300 nan 0.000 0.440 -119 K N 4.511 124.458 120.400 -0.754 0.000 3.071 -119 K HA -0.226 4.094 4.320 0.001 0.000 0.262 -119 K C 0.965 177.410 176.600 -0.258 0.000 0.977 -119 K CA 0.894 56.852 56.287 -0.549 0.000 0.721 -119 K CB -1.762 30.328 32.500 -0.684 0.000 1.293 -119 K HN 1.412 nan 8.250 nan 0.000 0.475 -118 G N -0.647 108.059 108.800 -0.157 0.000 2.184 -118 G HA2 -0.323 3.637 3.960 0.001 0.000 0.264 -118 G HA3 -0.323 3.637 3.960 0.001 0.000 0.264 -118 G C -0.058 174.808 174.900 -0.057 0.000 0.975 -118 G CA 0.596 45.644 45.100 -0.087 0.000 0.642 -118 G HN 0.341 nan 8.290 nan 0.000 0.536 -117 Q N 0.604 120.373 119.800 -0.053 0.000 2.230 -117 Q HA 0.466 4.807 4.340 0.001 0.000 0.253 -117 Q C -2.509 173.505 176.000 0.023 0.000 0.919 -117 Q CA -2.067 53.724 55.803 -0.019 0.000 0.908 -117 Q CB 1.577 30.299 28.738 -0.026 0.000 1.245 -117 Q HN 0.192 nan 8.270 nan 0.000 0.437 -116 P HA 0.029 nan 4.420 nan 0.000 0.269 -116 P C -0.483 176.839 177.300 0.037 0.000 1.209 -116 P CA 0.197 63.313 63.100 0.026 0.000 0.776 -116 P CB 0.578 32.282 31.700 0.006 0.000 0.876 -115 S N 2.278 118.019 115.700 0.069 0.000 2.564 -115 S HA 0.131 4.601 4.470 0.001 0.000 0.278 -115 S C 0.303 174.903 174.600 -0.000 0.000 1.333 -115 S CA -0.212 58.021 58.200 0.054 0.000 1.048 -115 S CB 0.010 63.301 63.200 0.151 0.000 0.900 -115 S HN 0.286 nan 8.310 nan 0.000 0.505 -114 K N 3.227 123.588 120.400 -0.064 0.000 2.562 -114 K HA 0.262 4.583 4.320 0.001 0.000 0.206 -114 K C -2.697 173.891 176.600 -0.020 0.000 1.033 -114 K CA -1.749 54.505 56.287 -0.055 0.000 1.029 -114 K CB 0.982 33.422 32.500 -0.100 0.000 1.393 -114 K HN 0.400 nan 8.250 nan 0.000 0.539 -113 P HA 0.001 nan 4.420 nan 0.000 0.269 -113 P C -0.497 176.972 177.300 0.282 0.000 1.209 -113 P CA -0.253 62.920 63.100 0.122 0.000 0.776 -113 P CB 0.471 32.207 31.700 0.059 0.000 0.876 -112 F N 2.134 122.292 119.950 0.347 0.000 2.471 -112 F HA 0.063 4.590 4.527 0.001 0.000 0.365 -112 F C 0.577 176.559 175.800 0.305 0.000 1.095 -112 F CA -0.571 57.636 58.000 0.344 0.000 1.174 -112 F CB 0.049 39.278 39.000 0.382 0.000 1.105 -112 F HN -0.014 nan 8.300 nan 0.000 0.535 -111 V N 4.814 125.039 119.914 0.519 0.000 2.508 -111 V HA 0.448 4.568 4.120 0.001 0.000 0.281 -111 V C 0.747 177.074 176.094 0.389 0.000 1.041 -111 V CA -0.445 62.083 62.300 0.381 0.000 1.016 -111 V CB 0.711 32.711 31.823 0.295 0.000 0.984 -111 V HN 0.839 nan 8.190 nan 0.000 0.478 -110 G N 3.342 112.346 108.800 0.340 0.000 2.410 -110 G HA2 0.598 4.558 3.960 0.001 0.000 0.330 -110 G HA3 0.598 4.558 3.960 0.001 0.000 0.330 -110 G C -1.117 173.934 174.900 0.251 0.000 1.142 -110 G CA -0.500 44.767 45.100 0.278 0.000 0.902 -110 G HN 0.554 nan 8.290 nan 0.000 0.491 -109 V N 2.325 122.432 119.914 0.321 0.000 2.376 -109 V HA 0.230 4.351 4.120 0.001 0.000 0.287 -109 V C -0.092 176.009 176.094 0.012 0.000 1.015 -109 V CA -0.755 61.597 62.300 0.086 0.000 0.834 -109 V CB 1.178 32.929 31.823 -0.120 0.000 1.001 -109 V HN 0.705 nan 8.190 nan 0.000 0.428 -108 L N 5.522 126.728 121.223 -0.028 0.000 2.499 -108 L HA 0.423 4.763 4.340 0.001 0.000 0.273 -108 L C 0.306 177.146 176.870 -0.051 0.000 1.195 -108 L CA 1.318 56.130 54.840 -0.047 0.000 0.882 -108 L CB 0.754 42.816 42.059 0.004 0.000 1.133 -108 L HN 0.758 nan 8.230 nan 0.000 0.483 -107 S N 3.080 118.712 115.700 -0.113 0.000 2.564 -107 S HA 0.865 5.335 4.470 0.001 0.000 0.274 -107 S C -0.954 173.522 174.600 -0.207 0.000 1.124 -107 S CA -0.387 57.677 58.200 -0.226 0.000 0.869 -107 S CB 1.816 64.689 63.200 -0.546 0.000 1.105 -107 S HN 0.897 nan 8.310 nan 0.000 0.472 -106 A N 1.438 124.143 122.820 -0.193 0.000 2.267 -106 A HA 0.773 5.093 4.320 0.001 0.000 0.315 -106 A C 0.242 177.873 177.584 0.078 0.000 1.297 -106 A CA -0.557 51.246 52.037 -0.390 0.000 0.865 -106 A CB 0.255 18.874 19.000 -0.635 0.000 1.165 -106 A HN 0.917 nan 8.150 nan 0.000 0.513 -105 G N 1.397 110.300 108.800 0.171 0.000 2.400 -105 G HA2 0.579 4.539 3.960 0.001 0.000 0.333 -105 G HA3 0.579 4.539 3.960 0.001 0.000 0.333 -105 G C -0.542 174.342 174.900 -0.027 0.000 1.143 -105 G CA -0.607 44.587 45.100 0.156 0.000 0.914 -105 G HN 0.673 nan 8.290 nan 0.000 0.480 -104 I N 1.656 122.243 120.570 0.028 0.000 2.353 -104 I HA 0.126 4.297 4.170 0.001 0.000 0.293 -104 I C 0.131 176.244 176.117 -0.008 0.000 0.992 -104 I CA -0.960 60.343 61.300 0.006 0.000 1.268 -104 I CB 1.545 39.581 38.000 0.061 0.000 1.387 -104 I HN 0.333 nan 8.210 nan 0.000 0.478 -103 N N 4.556 123.245 118.700 -0.019 0.000 2.447 -103 N HA 0.033 4.773 4.740 0.001 0.000 0.263 -103 N C 0.831 176.333 175.510 -0.015 0.000 1.226 -103 N CA 0.289 53.348 53.050 0.016 0.000 0.906 -103 N CB 1.477 39.954 38.487 -0.018 0.000 1.060 -103 N HN 0.788 nan 8.380 nan 0.000 0.468 -102 A N 3.910 126.720 122.820 -0.016 0.000 2.019 -102 A HA -0.063 4.257 4.320 0.001 0.000 0.219 -102 A C 1.801 179.362 177.584 -0.038 0.000 1.164 -102 A CA 1.786 53.811 52.037 -0.020 0.000 0.644 -102 A CB -0.407 18.583 19.000 -0.018 0.000 0.805 -102 A HN 0.747 nan 8.150 nan 0.000 0.449 -101 A N -0.783 121.997 122.820 -0.066 0.000 2.238 -101 A HA 0.349 4.669 4.320 0.001 0.000 0.210 -101 A C 1.360 178.904 177.584 -0.067 0.000 1.179 -101 A CA 0.699 52.692 52.037 -0.073 0.000 0.827 -101 A CB -0.448 18.489 19.000 -0.105 0.000 0.856 -101 A HN 0.491 nan 8.150 nan 0.000 0.488 -100 S N 1.237 116.899 115.700 -0.063 0.000 2.533 -100 S HA 0.263 4.733 4.470 0.001 0.000 0.282 -100 S C -1.318 173.260 174.600 -0.038 0.000 1.304 -100 S CA -0.894 57.271 58.200 -0.059 0.000 1.063 -100 S CB 0.758 63.920 63.200 -0.062 0.000 0.881 -100 S HN 0.275 nan 8.310 nan 0.000 0.493 -99 P HA 0.141 nan 4.420 nan 0.000 0.249 -99 P C -0.283 177.010 177.300 -0.011 0.000 1.229 -99 P CA 0.258 63.346 63.100 -0.021 0.000 0.788 -99 P CB -0.027 31.660 31.700 -0.022 0.000 1.072 -98 N N 0.232 118.924 118.700 -0.015 0.000 2.467 -98 N HA 0.118 4.859 4.740 0.001 0.000 0.278 -98 N C 0.981 176.495 175.510 0.006 0.000 1.306 -98 N CA -0.224 52.824 53.050 -0.003 0.000 0.905 -98 N CB 0.480 38.957 38.487 -0.017 0.000 1.236 -98 N HN 0.189 nan 8.380 nan 0.000 0.509 -97 K N 0.650 121.058 120.400 0.013 0.000 2.103 -97 K HA -0.106 4.215 4.320 0.001 0.000 0.207 -97 K C 1.274 177.903 176.600 0.049 0.000 1.048 -97 K CA 0.969 57.273 56.287 0.028 0.000 0.930 -97 K CB 0.310 32.828 32.500 0.029 0.000 0.716 -97 K HN 0.082 nan 8.250 nan 0.000 0.444 -96 E N 1.144 121.375 120.200 0.051 0.000 2.051 -96 E HA -0.123 4.228 4.350 0.001 0.000 0.192 -96 E C 2.132 178.792 176.600 0.099 0.000 0.991 -96 E CA 0.941 57.382 56.400 0.068 0.000 0.799 -96 E CB -0.272 29.465 29.700 0.061 0.000 0.748 -96 E HN 0.262 nan 8.360 nan 0.000 0.449 -95 L N 0.409 121.695 121.223 0.106 0.000 2.042 -95 L HA -0.217 4.123 4.340 0.001 0.000 0.210 -95 L C 2.529 179.454 176.870 0.093 0.000 1.076 -95 L CA 1.416 56.360 54.840 0.173 0.000 0.749 -95 L CB -0.592 41.555 42.059 0.145 0.000 0.893 -95 L HN 0.066 nan 8.230 nan 0.000 0.432 -94 A N -0.024 122.807 122.820 0.019 0.000 1.902 -94 A HA -0.257 4.063 4.320 0.001 0.000 0.217 -94 A C 2.439 180.050 177.584 0.045 0.000 1.181 -94 A CA 2.032 54.066 52.037 -0.006 0.000 0.623 -94 A CB -0.495 18.501 19.000 -0.006 0.000 0.818 -94 A HN 0.358 nan 8.150 nan 0.000 0.443 -93 K N -0.259 120.177 120.400 0.059 0.000 2.057 -93 K HA -0.228 4.092 4.320 0.001 0.000 0.207 -93 K C 2.030 178.621 176.600 -0.015 0.000 1.049 -93 K CA 1.853 58.155 56.287 0.025 0.000 0.931 -93 K CB -0.168 32.382 32.500 0.082 0.000 0.714 -93 K HN 0.482 nan 8.250 nan 0.000 0.440 -92 E N 0.125 120.387 120.200 0.102 0.000 2.051 -92 E HA -0.214 4.137 4.350 0.001 0.000 0.192 -92 E C 1.807 178.609 176.600 0.336 0.000 0.991 -92 E CA 1.542 58.075 56.400 0.222 0.000 0.799 -92 E CB -0.389 29.493 29.700 0.304 0.000 0.748 -92 E HN 0.396 nan 8.360 nan 0.000 0.449 -91 F N 0.364 120.328 119.950 0.023 0.000 2.134 -91 F HA -0.100 4.428 4.527 0.001 0.000 0.299 -91 F C 1.736 177.512 175.800 -0.041 0.000 1.097 -91 F CA 1.398 59.264 58.000 -0.223 0.000 1.264 -91 F CB -0.015 38.495 39.000 -0.816 0.000 1.001 -91 F HN 0.040 nan 8.300 nan 0.000 0.479 -90 L N -0.266 120.885 121.223 -0.120 0.000 2.095 -90 L HA -0.102 4.239 4.340 0.001 0.000 0.204 -90 L C 2.335 179.016 176.870 -0.315 0.000 1.080 -90 L CA 1.304 55.971 54.840 -0.288 0.000 0.759 -90 L CB -0.586 41.213 42.059 -0.432 0.000 0.914 -90 L HN 0.138 nan 8.230 nan 0.000 0.439 -89 E N -0.060 119.935 120.200 -0.343 0.000 2.060 -89 E HA -0.091 4.260 4.350 0.001 0.000 0.189 -89 E C 1.406 177.970 176.600 -0.060 0.000 0.974 -89 E CA 0.785 56.969 56.400 -0.360 0.000 0.808 -89 E CB 0.117 29.395 29.700 -0.702 0.000 0.768 -89 E HN 0.430 nan 8.360 nan 0.000 0.453 -88 N N -0.856 117.827 118.700 -0.029 0.000 2.325 -88 N HA 0.021 4.762 4.740 0.001 0.000 0.182 -88 N C 0.567 175.905 175.510 -0.287 0.000 1.088 -88 N CA 0.618 53.621 53.050 -0.077 0.000 0.879 -88 N CB 0.376 38.840 38.487 -0.037 0.000 0.983 -88 N HN 0.203 nan 8.380 nan 0.000 0.471 -87 Y N -0.604 119.612 120.300 -0.140 0.000 2.817 -87 Y HA 0.234 4.784 4.550 0.001 0.000 0.257 -87 Y C 1.753 177.467 175.900 -0.309 0.000 1.055 -87 Y CA -0.282 57.692 58.100 -0.210 0.000 1.319 -87 Y CB -0.280 38.046 38.460 -0.224 0.000 1.481 -87 Y HN -0.134 nan 8.280 nan 0.000 0.471 -86 L N -0.196 120.829 121.223 -0.330 0.000 2.068 -86 L HA 0.068 4.408 4.340 0.001 0.000 0.204 -86 L C 0.918 177.727 176.870 -0.102 0.000 1.076 -86 L CA 1.605 56.293 54.840 -0.253 0.000 0.753 -86 L CB -0.527 41.364 42.059 -0.280 0.000 0.910 -86 L HN 0.074 nan 8.230 nan 0.000 0.439 -85 L N 1.625 122.822 121.223 -0.043 0.000 2.912 -85 L HA 0.201 4.542 4.340 0.001 0.000 0.246 -85 L C 0.344 177.216 176.870 0.003 0.000 1.371 -85 L CA 0.413 55.271 54.840 0.029 0.000 1.196 -85 L CB -2.302 39.867 42.059 0.184 0.000 1.596 -85 L HN 0.478 nan 8.230 nan 0.000 0.429 -84 T N -6.066 108.447 114.554 -0.068 0.000 2.924 -84 T HA 0.385 4.736 4.350 0.001 0.000 0.291 -84 T C 0.852 175.448 174.700 -0.173 0.000 1.045 -84 T CA -0.741 61.302 62.100 -0.095 0.000 1.015 -84 T CB 2.029 70.832 68.868 -0.110 0.000 1.103 -84 T HN -0.006 nan 8.240 nan 0.000 0.496 -83 D N 0.895 121.184 120.400 -0.185 0.000 2.116 -83 D HA -0.094 4.547 4.640 0.001 0.000 0.193 -83 D C 1.799 177.846 176.300 -0.421 0.000 0.998 -83 D CA 1.678 55.462 54.000 -0.360 0.000 0.836 -83 D CB -0.126 40.577 40.800 -0.163 0.000 0.951 -83 D HN 0.805 nan 8.370 nan 0.000 0.449 -82 E N 0.057 120.123 120.200 -0.222 0.000 2.110 -82 E HA -0.034 4.317 4.350 0.001 0.000 0.193 -82 E C 2.232 178.742 176.600 -0.149 0.000 0.988 -82 E CA 1.206 57.510 56.400 -0.160 0.000 0.804 -82 E CB -0.503 29.145 29.700 -0.088 0.000 0.745 -82 E HN 0.328 nan 8.360 nan 0.000 0.458 -81 G N 0.954 109.666 108.800 -0.146 0.000 2.433 -81 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 -81 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 -81 G C 1.537 176.359 174.900 -0.130 0.000 1.186 -81 G CA 0.629 45.662 45.100 -0.112 0.000 0.779 -81 G HN 0.115 nan 8.290 nan 0.000 0.543 -80 L N -0.006 121.093 121.223 -0.208 0.000 2.056 -80 L HA -0.024 4.316 4.340 0.001 0.000 0.207 -80 L C 2.783 179.529 176.870 -0.206 0.000 1.078 -80 L CA 1.300 56.025 54.840 -0.192 0.000 0.749 -80 L CB -0.447 41.479 42.059 -0.222 0.000 0.901 -80 L HN 0.335 nan 8.230 nan 0.000 0.433 -79 E N 0.447 120.393 120.200 -0.423 0.000 2.085 -79 E HA -0.251 4.099 4.350 0.001 0.000 0.194 -79 E C 2.206 178.785 176.600 -0.034 0.000 0.994 -79 E CA 1.217 57.502 56.400 -0.193 0.000 0.801 -79 E CB 0.058 29.629 29.700 -0.215 0.000 0.743 -79 E HN 0.463 nan 8.360 nan 0.000 0.453 -78 A N 0.405 123.190 122.820 -0.058 0.000 1.908 -78 A HA -0.162 4.158 4.320 0.001 0.000 0.218 -78 A C 2.363 179.943 177.584 -0.007 0.000 1.181 -78 A CA 1.624 53.651 52.037 -0.016 0.000 0.627 -78 A CB -0.559 18.436 19.000 -0.009 0.000 0.818 -78 A HN 0.215 nan 8.150 nan 0.000 0.445 -77 V N 0.228 120.134 119.914 -0.013 0.000 2.346 -77 V HA -0.194 3.926 4.120 0.001 0.000 0.244 -77 V C 2.313 178.414 176.094 0.012 0.000 1.037 -77 V CA 2.092 64.382 62.300 -0.016 0.000 1.029 -77 V CB -1.141 30.664 31.823 -0.029 0.000 0.663 -77 V HN 0.697 nan 8.190 nan 0.000 0.454 -76 N N 0.340 119.076 118.700 0.061 0.000 2.205 -76 N HA -0.175 4.566 4.740 0.001 0.000 0.186 -76 N C 1.752 177.321 175.510 0.098 0.000 1.015 -76 N CA 1.245 54.361 53.050 0.111 0.000 0.862 -76 N CB -0.134 38.493 38.487 0.233 0.000 0.986 -76 N HN 0.397 nan 8.380 nan 0.000 0.429 -75 K N -0.522 119.926 120.400 0.080 0.000 2.366 -75 K HA -0.082 4.238 4.320 0.001 0.000 0.198 -75 K C 0.852 177.472 176.600 0.034 0.000 1.044 -75 K CA 0.705 57.033 56.287 0.067 0.000 0.973 -75 K CB 0.083 32.618 32.500 0.058 0.000 0.767 -75 K HN 0.296 nan 8.250 nan 0.000 0.475 -74 D N 0.763 121.165 120.400 0.003 0.000 2.154 -74 D HA -0.021 4.619 4.640 0.001 0.000 0.211 -74 D C -0.070 176.215 176.300 -0.025 0.000 0.977 -74 D CA 1.209 55.184 54.000 -0.041 0.000 0.869 -74 D CB 0.518 41.258 40.800 -0.101 0.000 1.022 -74 D HN -0.184 nan 8.370 nan 0.000 0.461 -73 K N 0.682 121.073 120.400 -0.015 0.000 2.541 -73 K HA 0.391 4.712 4.320 0.001 0.000 0.250 -73 K C -2.677 173.935 176.600 0.021 0.000 0.950 -73 K CA -2.076 54.221 56.287 0.016 0.000 0.805 -73 K CB 2.022 34.538 32.500 0.027 0.000 1.166 -73 K HN -0.022 nan 8.250 nan 0.000 0.430 -72 P HA 0.045 nan 4.420 nan 0.000 0.264 -72 P C 0.588 177.843 177.300 -0.075 0.000 1.183 -72 P CA 0.108 63.190 63.100 -0.030 0.000 0.763 -72 P CB 0.572 32.204 31.700 -0.113 0.000 0.807 -71 L N 1.857 123.078 121.223 -0.003 0.000 2.270 -71 L HA 0.182 4.523 4.340 0.001 0.000 0.210 -71 L C 1.519 178.390 176.870 0.001 0.000 1.104 -71 L CA 1.252 56.108 54.840 0.027 0.000 0.804 -71 L CB -0.673 41.432 42.059 0.076 0.000 0.937 -71 L HN 0.758 nan 8.230 nan 0.000 0.450 -70 G N -0.369 108.401 108.800 -0.051 0.000 2.443 -70 G HA2 -0.108 3.853 3.960 0.001 0.000 0.209 -70 G HA3 -0.108 3.853 3.960 0.001 0.000 0.209 -70 G C -0.547 174.385 174.900 0.054 0.000 1.176 -70 G CA -0.380 44.700 45.100 -0.032 0.000 1.074 -70 G HN 0.316 nan 8.290 nan 0.000 0.577 -69 A N 0.574 123.439 122.820 0.075 0.000 2.343 -69 A HA 0.707 5.028 4.320 0.001 0.000 0.305 -69 A C 0.931 178.573 177.584 0.096 0.000 1.308 -69 A CA 0.552 52.639 52.037 0.083 0.000 0.949 -69 A CB -0.236 18.813 19.000 0.082 0.000 1.148 -69 A HN 2.281 nan 8.150 nan 0.000 0.545 -68 V N 0.734 120.717 119.914 0.115 0.000 2.924 -68 V HA 0.481 4.601 4.120 0.001 0.000 0.305 -68 V C 1.233 177.418 176.094 0.152 0.000 1.073 -68 V CA 0.311 62.692 62.300 0.136 0.000 1.098 -68 V CB 0.612 32.562 31.823 0.212 0.000 1.000 -68 V HN 1.095 nan 8.190 nan 0.000 0.484 -67 A N 3.238 126.096 122.820 0.063 0.000 2.119 -67 A HA 0.198 4.518 4.320 0.001 0.000 0.217 -67 A C 1.102 178.664 177.584 -0.036 0.000 1.153 -67 A CA 0.589 52.623 52.037 -0.005 0.000 0.692 -67 A CB -0.481 18.396 19.000 -0.206 0.000 0.799 -67 A HN 1.018 nan 8.150 nan 0.000 0.458 -66 L N 0.536 121.749 121.223 -0.017 0.000 2.315 -66 L HA 0.229 4.569 4.340 0.001 0.000 0.283 -66 L C 1.069 177.875 176.870 -0.106 0.000 1.089 -66 L CA 0.027 54.810 54.840 -0.095 0.000 0.833 -66 L CB 0.437 42.480 42.059 -0.027 0.000 1.170 -66 L HN 0.238 nan 8.230 nan 0.000 0.442 -65 K N 1.529 121.717 120.400 -0.353 0.000 2.059 -65 K HA -0.216 4.105 4.320 0.001 0.000 0.212 -65 K C 1.890 178.434 176.600 -0.093 0.000 1.050 -65 K CA 2.094 58.123 56.287 -0.430 0.000 0.927 -65 K CB -0.145 32.073 32.500 -0.471 0.000 0.714 -65 K HN 0.910 nan 8.250 nan 0.000 0.447 -64 S N -0.317 115.357 115.700 -0.045 0.000 2.423 -64 S HA -0.154 4.317 4.470 0.001 0.000 0.231 -64 S C 1.905 176.580 174.600 0.126 0.000 1.014 -64 S CA 0.739 58.957 58.200 0.030 0.000 0.965 -64 S CB -0.328 62.882 63.200 0.016 0.000 0.785 -64 S HN 0.358 nan 8.310 nan 0.000 0.495 -63 Y N 2.034 122.332 120.300 -0.003 0.000 2.436 -63 Y HA 0.278 4.828 4.550 0.001 0.000 0.288 -63 Y C 2.287 178.224 175.900 0.061 0.000 1.112 -63 Y CA 0.845 58.960 58.100 0.025 0.000 1.220 -63 Y CB -0.290 38.180 38.460 0.017 0.000 1.073 -63 Y HN 0.283 nan 8.280 nan 0.000 0.552 -62 E N 0.980 121.224 120.200 0.075 0.000 2.153 -62 E HA -0.194 4.156 4.350 0.001 0.000 0.194 -62 E C 1.641 178.264 176.600 0.038 0.000 0.988 -62 E CA 1.619 58.057 56.400 0.063 0.000 0.811 -62 E CB -0.183 29.693 29.700 0.293 0.000 0.746 -62 E HN 0.554 nan 8.360 nan 0.000 0.466 -61 E N -0.177 120.060 120.200 0.062 0.000 2.333 -61 E HA -0.149 4.201 4.350 0.001 0.000 0.198 -61 E C 1.541 178.139 176.600 -0.004 0.000 1.007 -61 E CA 1.090 57.519 56.400 0.048 0.000 0.845 -61 E CB 0.095 29.831 29.700 0.059 0.000 0.766 -61 E HN 0.449 nan 8.360 nan 0.000 0.507 -60 E N -0.107 120.054 120.200 -0.066 0.000 2.162 -60 E HA -0.007 4.344 4.350 0.001 0.000 0.193 -60 E C 2.021 178.542 176.600 -0.132 0.000 0.953 -60 E CA 0.294 56.638 56.400 -0.094 0.000 0.849 -60 E CB 0.061 29.695 29.700 -0.110 0.000 0.810 -60 E HN 0.237 nan 8.360 nan 0.000 0.470 -59 L N 1.183 122.272 121.223 -0.223 0.000 2.275 -59 L HA -0.026 4.315 4.340 0.001 0.000 0.215 -59 L C 2.559 179.398 176.870 -0.052 0.000 1.119 -59 L CA 0.591 55.337 54.840 -0.157 0.000 0.790 -59 L CB -0.521 41.417 42.059 -0.203 0.000 0.919 -59 L HN 0.102 nan 8.230 nan 0.000 0.443 -58 A N 0.198 122.997 122.820 -0.034 0.000 2.024 -58 A HA -0.180 4.140 4.320 0.001 0.000 0.220 -58 A C 2.308 179.886 177.584 -0.010 0.000 1.164 -58 A CA 1.307 53.342 52.037 -0.004 0.000 0.643 -58 A CB -0.241 18.767 19.000 0.013 0.000 0.806 -58 A HN 0.233 nan 8.150 nan 0.000 0.451 -57 K N 0.634 121.022 120.400 -0.020 0.000 2.026 -57 K HA -0.129 4.192 4.320 0.001 0.000 0.208 -57 K C 0.394 176.975 176.600 -0.031 0.000 1.048 -57 K CA 0.708 56.981 56.287 -0.023 0.000 0.929 -57 K CB -0.747 31.738 32.500 -0.025 0.000 0.713 -57 K HN 0.497 nan 8.250 nan 0.000 0.439 -56 D N 2.442 122.823 120.400 -0.031 0.000 2.426 -56 D HA -0.039 4.602 4.640 0.001 0.000 0.261 -56 D C -1.488 174.774 176.300 -0.062 0.000 1.245 -56 D CA -1.497 52.475 54.000 -0.047 0.000 0.917 -56 D CB 1.021 41.810 40.800 -0.019 0.000 1.123 -56 D HN -0.037 nan 8.370 nan 0.000 0.508 -55 P HA -0.175 nan 4.420 nan 0.000 0.218 -55 P C 1.064 178.287 177.300 -0.128 0.000 1.146 -55 P CA 1.025 64.066 63.100 -0.098 0.000 0.813 -55 P CB 0.300 31.931 31.700 -0.114 0.000 0.778 -54 R N -0.686 119.676 120.500 -0.230 0.000 2.092 -54 R HA -0.025 4.316 4.340 0.001 0.000 0.231 -54 R C 2.425 178.714 176.300 -0.019 0.000 1.119 -54 R CA 0.976 56.849 56.100 -0.379 0.000 0.970 -54 R CB -0.623 29.025 30.300 -1.088 0.000 0.864 -54 R HN 0.180 nan 8.270 nan 0.000 0.440 -53 I N 0.930 121.557 120.570 0.095 0.000 2.315 -53 I HA -0.166 4.005 4.170 0.001 0.000 0.248 -53 I C 2.513 178.685 176.117 0.093 0.000 1.117 -53 I CA 1.172 62.585 61.300 0.189 0.000 1.404 -53 I CB -1.331 36.753 38.000 0.139 0.000 1.071 -53 I HN 0.142 nan 8.210 nan 0.000 0.419 -52 A N 1.167 124.006 122.820 0.031 0.000 1.908 -52 A HA -0.161 4.160 4.320 0.001 0.000 0.218 -52 A C 2.600 180.194 177.584 0.017 0.000 1.181 -52 A CA 2.171 54.214 52.037 0.010 0.000 0.627 -52 A CB -0.782 18.209 19.000 -0.014 0.000 0.818 -52 A HN 0.414 nan 8.150 nan 0.000 0.445 -51 A N -1.060 121.771 122.820 0.018 0.000 1.902 -51 A HA -0.081 4.239 4.320 0.001 0.000 0.217 -51 A C 2.304 179.927 177.584 0.065 0.000 1.181 -51 A CA 2.306 54.360 52.037 0.028 0.000 0.623 -51 A CB -1.358 17.650 19.000 0.014 0.000 0.818 -51 A HN 0.442 nan 8.150 nan 0.000 0.443 -50 T N 0.213 114.839 114.554 0.121 0.000 2.665 -50 T HA -0.186 4.165 4.350 0.001 0.000 0.268 -50 T C 1.930 176.679 174.700 0.083 0.000 1.035 -50 T CA 1.797 63.979 62.100 0.137 0.000 1.151 -50 T CB -0.273 68.715 68.868 0.200 0.000 0.862 -50 T HN 0.292 nan 8.240 nan 0.000 0.438 -49 M N 0.866 120.502 119.600 0.060 0.000 2.229 -49 M HA 0.018 4.498 4.480 0.001 0.000 0.264 -49 M C 2.304 178.606 176.300 0.005 0.000 1.063 -49 M CA 1.182 56.495 55.300 0.022 0.000 1.114 -49 M CB -0.999 31.600 32.600 -0.001 0.000 1.387 -49 M HN 0.411 nan 8.290 nan 0.000 0.420 -48 E N 0.393 120.598 120.200 0.008 0.000 2.072 -48 E HA -0.183 4.168 4.350 0.001 0.000 0.191 -48 E C 1.748 178.353 176.600 0.008 0.000 0.985 -48 E CA 1.000 57.400 56.400 -0.001 0.000 0.801 -48 E CB 0.150 29.847 29.700 -0.004 0.000 0.750 -48 E HN 0.418 nan 8.360 nan 0.000 0.452 -47 N N 0.580 119.294 118.700 0.023 0.000 2.120 -47 N HA -0.151 4.590 4.740 0.001 0.000 0.188 -47 N C 1.762 177.298 175.510 0.044 0.000 1.024 -47 N CA 1.291 54.360 53.050 0.031 0.000 0.852 -47 N CB -0.351 38.158 38.487 0.038 0.000 1.003 -47 N HN 0.250 nan 8.380 nan 0.000 0.424 -46 A N 0.981 123.832 122.820 0.051 0.000 1.940 -46 A HA -0.212 4.109 4.320 0.001 0.000 0.219 -46 A C 2.174 179.778 177.584 0.034 0.000 1.176 -46 A CA 1.589 53.664 52.037 0.064 0.000 0.631 -46 A CB -0.629 18.408 19.000 0.061 0.000 0.814 -46 A HN 0.400 nan 8.150 nan 0.000 0.446 -45 Q N -0.533 119.267 119.800 0.000 0.000 2.172 -45 Q HA -0.068 4.273 4.340 0.001 0.000 0.200 -45 Q C 1.760 177.759 176.000 -0.002 0.000 0.964 -45 Q CA 1.439 57.229 55.803 -0.022 0.000 0.855 -45 Q CB -0.026 28.688 28.738 -0.041 0.000 0.918 -45 Q HN 0.667 nan 8.270 nan 0.000 0.444 -44 K N -0.570 119.836 120.400 0.010 0.000 2.305 -44 K HA 0.082 4.403 4.320 0.001 0.000 0.199 -44 K C 1.062 177.678 176.600 0.027 0.000 1.047 -44 K CA 0.506 56.800 56.287 0.012 0.000 0.976 -44 K CB 0.343 32.848 32.500 0.007 0.000 0.765 -44 K HN 0.215 nan 8.250 nan 0.000 0.474 -43 G N 0.979 109.811 108.800 0.052 0.000 2.783 -43 G HA2 0.143 4.103 3.960 0.001 0.000 0.182 -43 G HA3 0.143 4.103 3.960 0.001 0.000 0.182 -43 G C -0.916 174.059 174.900 0.125 0.000 1.516 -43 G CA -0.204 44.950 45.100 0.089 0.000 1.079 -43 G HN 0.135 nan 8.290 nan 0.000 0.573 -42 E N -1.828 118.507 120.200 0.226 0.000 2.363 -42 E HA 0.334 4.684 4.350 0.001 0.000 0.281 -42 E C -1.493 175.350 176.600 0.404 0.000 0.953 -42 E CA -0.805 55.761 56.400 0.277 0.000 0.778 -42 E CB 2.367 32.254 29.700 0.312 0.000 1.220 -42 E HN 0.249 nan 8.360 nan 0.000 0.431 -41 I N 3.698 124.443 120.570 0.292 0.000 2.648 -41 I HA 0.067 4.238 4.170 0.001 0.000 0.284 -41 I C 0.367 176.662 176.117 0.298 0.000 1.153 -41 I CA 0.540 62.020 61.300 0.300 0.000 1.426 -41 I CB 0.483 38.607 38.000 0.207 0.000 1.381 -41 I HN 0.633 nan 8.210 nan 0.000 0.571 -40 M N 8.876 128.599 119.600 0.204 0.000 2.239 -40 M HA 0.170 4.651 4.480 0.001 0.000 0.348 -40 M C -2.054 174.198 176.300 -0.080 0.000 1.239 -40 M CA -1.281 53.855 55.300 -0.273 0.000 1.114 -40 M CB 0.033 32.354 32.600 -0.465 0.000 1.641 -40 M HN 0.342 nan 8.290 nan 0.000 0.453 -39 P HA -0.004 nan 4.420 nan 0.000 0.268 -39 P C -0.361 176.798 177.300 -0.235 0.000 1.208 -39 P CA 0.090 62.918 63.100 -0.454 0.000 0.777 -39 P CB 0.341 31.474 31.700 -0.944 0.000 0.875 -38 N N 1.771 120.434 118.700 -0.061 0.000 2.187 -38 N HA 0.032 4.773 4.740 0.001 0.000 0.212 -38 N C 0.471 175.924 175.510 -0.095 0.000 1.152 -38 N CA -0.207 52.832 53.050 -0.018 0.000 0.872 -38 N CB -0.719 37.872 38.487 0.174 0.000 1.025 -38 N HN 0.413 nan 8.380 nan 0.000 0.514 -37 I N -2.142 118.353 120.570 -0.124 0.000 2.892 -37 I HA 0.208 4.379 4.170 0.001 0.000 0.287 -37 I C -1.566 174.442 176.117 -0.183 0.000 1.205 -37 I CA -1.392 59.842 61.300 -0.110 0.000 1.409 -37 I CB 0.381 38.267 38.000 -0.189 0.000 1.367 -37 I HN -0.290 nan 8.210 nan 0.000 0.597 -36 P HA -0.119 nan 4.420 nan 0.000 0.225 -36 P C 0.945 178.184 177.300 -0.102 0.000 1.148 -36 P CA 1.242 64.258 63.100 -0.139 0.000 0.779 -36 P CB 0.062 31.714 31.700 -0.080 0.000 0.780 -35 Q N -2.002 117.713 119.800 -0.142 0.000 2.472 -35 Q HA 0.063 4.403 4.340 0.001 0.000 0.208 -35 Q C 1.833 177.879 176.000 0.075 0.000 0.958 -35 Q CA 0.790 56.547 55.803 -0.076 0.000 0.932 -35 Q CB -0.649 27.943 28.738 -0.243 0.000 1.007 -35 Q HN 0.178 nan 8.270 nan 0.000 0.508 -34 M N -0.540 119.058 119.600 -0.002 0.000 2.213 -34 M HA -0.141 4.339 4.480 0.001 0.000 0.263 -34 M C 2.093 178.519 176.300 0.210 0.000 1.062 -34 M CA 1.253 56.599 55.300 0.076 0.000 1.105 -34 M CB -1.103 31.473 32.600 -0.041 0.000 1.385 -34 M HN 0.244 nan 8.290 nan 0.000 0.417 -33 S N 0.468 116.258 115.700 0.150 0.000 2.353 -33 S HA -0.140 4.330 4.470 0.001 0.000 0.222 -33 S C 1.999 176.726 174.600 0.211 0.000 1.035 -33 S CA 1.815 60.116 58.200 0.169 0.000 1.025 -33 S CB -0.130 63.096 63.200 0.044 0.000 0.902 -33 S HN 0.521 nan 8.310 nan 0.000 0.440 -32 A N 0.288 123.211 122.820 0.173 0.000 1.930 -32 A HA 0.055 4.376 4.320 0.001 0.000 0.217 -32 A C 1.980 179.706 177.584 0.238 0.000 1.175 -32 A CA 1.464 53.612 52.037 0.185 0.000 0.627 -32 A CB -0.976 18.113 19.000 0.147 0.000 0.815 -32 A HN 0.709 nan 8.150 nan 0.000 0.443 -31 F N -0.756 119.242 119.950 0.081 0.000 2.102 -31 F HA -0.182 4.346 4.527 0.001 0.000 0.298 -31 F C 1.977 177.727 175.800 -0.083 0.000 1.105 -31 F CA 1.684 59.630 58.000 -0.090 0.000 1.239 -31 F CB -0.534 38.298 39.000 -0.279 0.000 0.991 -31 F HN 0.387 nan 8.300 nan 0.000 0.474 -30 W N -1.189 120.042 121.300 -0.115 0.000 2.381 -30 W HA -0.204 4.456 4.660 0.001 0.000 0.301 -30 W C 2.462 178.898 176.519 -0.139 0.000 1.205 -30 W CA 1.246 58.447 57.345 -0.239 0.000 1.285 -30 W CB -0.862 28.605 29.460 0.011 0.000 1.133 -30 W HN 0.192 nan 8.180 nan 0.000 0.521 -29 Y N 1.025 121.398 120.300 0.122 0.000 2.181 -29 Y HA -0.204 4.347 4.550 0.001 0.000 0.288 -29 Y C 2.304 178.207 175.900 0.005 0.000 1.146 -29 Y CA 2.029 60.166 58.100 0.063 0.000 1.164 -29 Y CB -0.739 37.753 38.460 0.053 0.000 0.982 -29 Y HN -0.091 nan 8.280 nan 0.000 0.515 -28 A N -0.591 122.255 122.820 0.042 0.000 1.877 -28 A HA -0.156 4.164 4.320 0.001 0.000 0.216 -28 A C 2.279 179.769 177.584 -0.157 0.000 1.186 -28 A CA 2.120 54.120 52.037 -0.061 0.000 0.620 -28 A CB -1.277 17.719 19.000 -0.006 0.000 0.822 -28 A HN 0.329 nan 8.150 nan 0.000 0.443 -27 V N -0.089 119.684 119.914 -0.234 0.000 2.453 -27 V HA -0.199 3.921 4.120 0.001 0.000 0.247 -27 V C 2.568 178.632 176.094 -0.048 0.000 1.048 -27 V CA 2.008 64.206 62.300 -0.169 0.000 1.049 -27 V CB -0.853 30.776 31.823 -0.323 0.000 0.672 -27 V HN 0.673 nan 8.190 nan 0.000 0.457 -26 R N 0.353 120.828 120.500 -0.042 0.000 2.097 -26 R HA -0.218 4.123 4.340 0.001 0.000 0.236 -26 R C 2.359 178.597 176.300 -0.105 0.000 1.135 -26 R CA 2.490 58.569 56.100 -0.035 0.000 0.934 -26 R CB -0.683 29.579 30.300 -0.062 0.000 0.846 -26 R HN 0.509 nan 8.270 nan 0.000 0.431 -25 T N 0.584 115.001 114.554 -0.228 0.000 2.720 -25 T HA -0.148 4.203 4.350 0.001 0.000 0.268 -25 T C 1.806 176.442 174.700 -0.107 0.000 1.037 -25 T CA 1.404 63.377 62.100 -0.213 0.000 1.144 -25 T CB -0.370 68.310 68.868 -0.313 0.000 0.864 -25 T HN 0.515 nan 8.240 nan 0.000 0.444 -24 A N 1.066 123.837 122.820 -0.082 0.000 1.858 -24 A HA -0.054 4.267 4.320 0.001 0.000 0.216 -24 A C 2.616 180.189 177.584 -0.019 0.000 1.190 -24 A CA 1.533 53.546 52.037 -0.040 0.000 0.617 -24 A CB -1.107 17.877 19.000 -0.026 0.000 0.827 -24 A HN 0.338 nan 8.150 nan 0.000 0.443 -23 V N 0.213 120.128 119.914 0.002 0.000 2.287 -23 V HA -0.301 3.820 4.120 0.001 0.000 0.248 -23 V C 2.450 178.545 176.094 0.002 0.000 1.053 -23 V CA 2.185 64.498 62.300 0.022 0.000 1.027 -23 V CB -0.769 31.098 31.823 0.072 0.000 0.646 -23 V HN 0.563 nan 8.190 nan 0.000 0.447 -22 I N 0.340 120.904 120.570 -0.011 0.000 2.127 -22 I HA -0.246 3.925 4.170 0.001 0.000 0.241 -22 I C 2.409 178.510 176.117 -0.027 0.000 1.075 -22 I CA 1.704 62.991 61.300 -0.022 0.000 1.334 -22 I CB -0.525 37.456 38.000 -0.032 0.000 1.040 -22 I HN 0.340 nan 8.210 nan 0.000 0.405 -21 N N 0.948 119.629 118.700 -0.033 0.000 2.104 -21 N HA -0.149 4.591 4.740 0.001 0.000 0.190 -21 N C 1.798 177.294 175.510 -0.022 0.000 1.024 -21 N CA 1.668 54.701 53.050 -0.029 0.000 0.853 -21 N CB -0.425 38.043 38.487 -0.031 0.000 1.008 -21 N HN 0.391 nan 8.380 nan 0.000 0.424 -20 A N 0.563 123.371 122.820 -0.020 0.000 1.897 -20 A HA 0.146 4.466 4.320 0.001 0.000 0.215 -20 A C 2.309 179.880 177.584 -0.021 0.000 1.181 -20 A CA 1.669 53.696 52.037 -0.018 0.000 0.620 -20 A CB -0.839 18.152 19.000 -0.014 0.000 0.821 -20 A HN 0.292 nan 8.150 nan 0.000 0.443 -19 A N 0.388 123.194 122.820 -0.022 0.000 1.902 -19 A HA -0.103 4.218 4.320 0.001 0.000 0.217 -19 A C 2.468 180.033 177.584 -0.031 0.000 1.181 -19 A CA 2.336 54.356 52.037 -0.029 0.000 0.623 -19 A CB -0.890 18.091 19.000 -0.031 0.000 0.818 -19 A HN 1.023 nan 8.150 nan 0.000 0.443 -18 S N -1.945 113.739 115.700 -0.028 0.000 2.489 -18 S HA 0.330 4.800 4.470 0.001 0.000 0.228 -18 S C 1.513 176.098 174.600 -0.025 0.000 0.995 -18 S CA 1.207 59.391 58.200 -0.027 0.000 0.934 -18 S CB -0.347 62.838 63.200 -0.024 0.000 0.771 -18 S HN 1.983 nan 8.310 nan 0.000 0.522 -17 G N 1.462 110.248 108.800 -0.023 0.000 2.159 -17 G HA2 -0.302 3.658 3.960 0.001 0.000 0.256 -17 G HA3 -0.302 3.658 3.960 0.001 0.000 0.256 -17 G C 0.865 175.755 174.900 -0.017 0.000 0.977 -17 G CA 0.366 45.454 45.100 -0.020 0.000 0.652 -17 G HN 0.504 nan 8.290 nan 0.000 0.531 -16 R N -0.383 120.106 120.500 -0.017 0.000 2.096 -16 R HA 0.017 4.358 4.340 0.001 0.000 0.235 -16 R C 1.195 177.488 176.300 -0.012 0.000 1.127 -16 R CA 1.633 57.724 56.100 -0.014 0.000 0.968 -16 R CB 0.001 30.292 30.300 -0.016 0.000 0.861 -16 R HN 0.606 nan 8.270 nan 0.000 0.440 -15 Q N -0.949 118.843 119.800 -0.013 0.000 2.421 -15 Q HA 0.186 4.526 4.340 0.001 0.000 0.280 -15 Q C -0.769 175.225 176.000 -0.010 0.000 1.085 -15 Q CA -0.632 55.165 55.803 -0.010 0.000 0.807 -15 Q CB 2.448 31.180 28.738 -0.010 0.000 1.405 -15 Q HN 0.103 nan 8.270 nan 0.000 0.419 -14 T N -2.447 112.103 114.554 -0.007 0.000 2.748 -14 T HA 0.115 4.465 4.350 0.001 0.000 0.304 -14 T C 1.318 176.015 174.700 -0.005 0.000 1.041 -14 T CA -0.593 61.503 62.100 -0.006 0.000 1.033 -14 T CB 0.449 69.316 68.868 -0.002 0.000 0.995 -14 T HN 0.321 nan 8.240 nan 0.000 0.536 -13 V N 1.302 121.213 119.914 -0.004 0.000 2.287 -13 V HA -0.160 3.960 4.120 0.001 0.000 0.248 -13 V C 2.560 178.653 176.094 -0.001 0.000 1.053 -13 V CA 2.247 64.545 62.300 -0.004 0.000 1.027 -13 V CB -0.939 30.883 31.823 -0.002 0.000 0.646 -13 V HN 0.869 nan 8.190 nan 0.000 0.447 -12 D N -0.174 120.227 120.400 0.002 0.000 2.104 -12 D HA -0.173 4.467 4.640 0.001 0.000 0.194 -12 D C 2.237 178.539 176.300 0.004 0.000 0.994 -12 D CA 1.492 55.495 54.000 0.004 0.000 0.830 -12 D CB -0.203 40.601 40.800 0.006 0.000 0.959 -12 D HN 0.574 nan 8.370 nan 0.000 0.452 -11 E N 0.525 120.727 120.200 0.002 0.000 2.031 -11 E HA -0.112 4.239 4.350 0.001 0.000 0.193 -11 E C 2.148 178.748 176.600 0.001 0.000 0.994 -11 E CA 1.065 57.466 56.400 0.003 0.000 0.800 -11 E CB -0.120 29.581 29.700 0.001 0.000 0.752 -11 E HN 0.203 nan 8.360 nan 0.000 0.447 -10 A N 1.226 124.044 122.820 -0.004 0.000 1.873 -10 A HA -0.204 4.116 4.320 0.001 0.000 0.218 -10 A C 2.207 179.787 177.584 -0.007 0.000 1.193 -10 A CA 1.374 53.406 52.037 -0.008 0.000 0.629 -10 A CB -0.754 18.239 19.000 -0.012 0.000 0.826 -10 A HN 0.161 nan 8.150 nan 0.000 0.447 -9 L N -1.313 119.908 121.223 -0.003 0.000 2.217 -9 L HA -0.101 4.239 4.340 0.001 0.000 0.211 -9 L C 2.603 179.475 176.870 0.002 0.000 1.107 -9 L CA 0.893 55.732 54.840 -0.001 0.000 0.783 -9 L CB -0.375 41.682 42.059 -0.002 0.000 0.919 -9 L HN 0.254 nan 8.230 nan 0.000 0.442 -8 K N 0.540 120.944 120.400 0.006 0.000 2.009 -8 K HA -0.197 4.123 4.320 0.001 0.000 0.210 -8 K C 1.643 178.254 176.600 0.019 0.000 1.049 -8 K CA 1.661 57.956 56.287 0.013 0.000 0.929 -8 K CB -0.326 32.182 32.500 0.014 0.000 0.714 -8 K HN 0.234 nan 8.250 nan 0.000 0.440 -7 D N 0.082 120.491 120.400 0.016 0.000 2.144 -7 D HA -0.108 4.533 4.640 0.001 0.000 0.199 -7 D C 1.703 178.017 176.300 0.024 0.000 0.984 -7 D CA 1.265 55.278 54.000 0.022 0.000 0.834 -7 D CB -0.079 40.728 40.800 0.013 0.000 0.955 -7 D HN 0.240 nan 8.370 nan 0.000 0.465 -6 A N 0.784 123.610 122.820 0.009 0.000 1.877 -6 A HA -0.253 4.068 4.320 0.001 0.000 0.216 -6 A C 2.168 179.764 177.584 0.020 0.000 1.186 -6 A CA 2.041 54.079 52.037 0.002 0.000 0.620 -6 A CB -0.775 18.214 19.000 -0.018 0.000 0.822 -6 A HN 0.184 nan 8.150 nan 0.000 0.443 -5 Q N -0.218 119.593 119.800 0.018 0.000 2.029 -5 Q HA -0.200 4.141 4.340 0.001 0.000 0.209 -5 Q C 1.998 178.029 176.000 0.051 0.000 0.999 -5 Q CA 3.148 58.965 55.803 0.024 0.000 0.857 -5 Q CB -1.073 27.674 28.738 0.016 0.000 0.926 -5 Q HN 0.554 nan 8.270 nan 0.000 0.415 -4 T N 1.034 115.623 114.554 0.058 0.000 2.759 -4 T HA -0.127 4.224 4.350 0.001 0.000 0.269 -4 T C 1.442 176.204 174.700 0.103 0.000 1.042 -4 T CA 1.357 63.506 62.100 0.082 0.000 1.140 -4 T CB -0.357 68.558 68.868 0.079 0.000 0.864 -4 T HN 0.356 nan 8.240 nan 0.000 0.455 -3 N N 1.570 120.327 118.700 0.095 0.000 2.109 -3 N HA 0.054 4.794 4.740 0.001 0.000 0.188 -3 N C 2.268 177.859 175.510 0.136 0.000 1.034 -3 N CA 1.340 54.460 53.050 0.116 0.000 0.846 -3 N CB -0.844 37.718 38.487 0.124 0.000 1.010 -3 N HN 0.403 nan 8.380 nan 0.000 0.425 -2 A N 0.875 123.768 122.820 0.122 0.000 1.940 -2 A HA 0.000 4.321 4.320 0.001 0.000 0.219 -2 A C 2.042 179.756 177.584 0.216 0.000 1.176 -2 A CA 1.986 54.120 52.037 0.161 0.000 0.631 -2 A CB -0.630 18.432 19.000 0.103 0.000 0.814 -2 A HN 0.347 nan 8.150 nan 0.000 0.446 -1 A N -1.673 121.249 122.820 0.169 0.000 2.275 -1 A HA 0.540 4.861 4.320 0.001 0.000 0.212 -1 A C 1.285 178.973 177.584 0.174 0.000 1.201 -1 A CA 0.976 53.131 52.037 0.197 0.000 0.843 -1 A CB -0.998 18.088 19.000 0.144 0.000 0.873 -1 A HN 1.987 nan 8.150 nan 0.000 0.492 0 A N 0.064 122.984 122.820 0.167 0.000 2.415 0 A HA -0.246 4.074 4.320 0.001 0.000 0.292 0 A C 0.947 178.626 177.584 0.158 0.000 1.452 0 A CA 1.294 53.427 52.037 0.160 0.000 0.750 0 A CB -2.048 17.035 19.000 0.138 0.000 1.099 0 A HN 0.697 nan 8.150 nan 0.000 0.391 1 E N -1.126 119.167 120.200 0.154 0.000 2.107 1 E HA -0.095 4.256 4.350 0.001 0.000 0.191 1 E C 1.430 178.101 176.600 0.118 0.000 0.982 1 E CA 1.076 57.549 56.400 0.122 0.000 0.809 1 E CB -0.079 29.681 29.700 0.101 0.000 0.756 1 E HN 0.928 nan 8.360 nan 0.000 0.459 2 F N 1.563 121.526 119.950 0.021 0.000 2.120 2 F HA -0.312 4.216 4.527 0.001 0.000 0.300 2 F C 2.121 177.909 175.800 -0.020 0.000 1.095 2 F CA 1.732 59.716 58.000 -0.025 0.000 1.249 2 F CB -0.219 38.749 39.000 -0.053 0.000 0.995 2 F HN -0.018 nan 8.300 nan 0.000 0.480 3 A N 0.224 123.183 122.820 0.232 0.000 1.877 3 A HA -0.075 4.246 4.320 0.001 0.000 0.216 3 A C 2.403 180.036 177.584 0.082 0.000 1.186 3 A CA 1.857 54.000 52.037 0.176 0.000 0.620 3 A CB -1.610 17.520 19.000 0.216 0.000 0.822 3 A HN 0.512 nan 8.150 nan 0.000 0.443 4 A N -0.579 122.283 122.820 0.070 0.000 1.902 4 A HA -0.032 4.288 4.320 0.001 0.000 0.217 4 A C 2.136 179.750 177.584 0.050 0.000 1.181 4 A CA 1.809 53.890 52.037 0.073 0.000 0.623 4 A CB -0.611 18.428 19.000 0.065 0.000 0.818 4 A HN 0.713 nan 8.150 nan 0.000 0.443 5 L N -0.605 120.596 121.223 -0.036 0.000 1.994 5 L HA -0.099 4.241 4.340 0.001 0.000 0.208 5 L C 2.243 179.023 176.870 -0.149 0.000 1.071 5 L CA 2.236 57.015 54.840 -0.101 0.000 0.745 5 L CB -0.904 41.056 42.059 -0.165 0.000 0.892 5 L HN 0.344 nan 8.230 nan 0.000 0.431 6 L N -0.633 120.435 121.223 -0.258 0.000 2.012 6 L HA -0.255 4.085 4.340 0.001 0.000 0.210 6 L C 2.590 179.428 176.870 -0.054 0.000 1.073 6 L CA 2.363 57.060 54.840 -0.238 0.000 0.748 6 L CB -1.081 40.780 42.059 -0.331 0.000 0.891 6 L HN 0.601 nan 8.230 nan 0.000 0.431 7 H N -0.544 118.492 119.070 -0.058 0.000 2.289 7 H HA -0.174 4.382 4.556 0.001 0.000 0.296 7 H C 2.422 177.738 175.328 -0.021 0.000 1.091 7 H CA 2.267 58.311 56.048 -0.006 0.000 1.274 7 H CB -0.297 29.479 29.762 0.024 0.000 1.364 7 H HN 0.609 nan 8.280 nan 0.000 0.490 8 S N -0.132 115.548 115.700 -0.033 0.000 2.423 8 S HA -0.099 4.372 4.470 0.001 0.000 0.231 8 S C 2.262 176.795 174.600 -0.112 0.000 1.014 8 S CA 1.107 59.255 58.200 -0.087 0.000 0.965 8 S CB -0.559 62.638 63.200 -0.005 0.000 0.785 8 S HN 0.457 nan 8.310 nan 0.000 0.495 9 L N 0.682 121.843 121.223 -0.104 0.000 2.017 9 L HA -0.030 4.310 4.340 0.001 0.000 0.208 9 L C 2.626 179.428 176.870 -0.113 0.000 1.073 9 L CA 1.294 56.074 54.840 -0.100 0.000 0.745 9 L CB -0.740 41.258 42.059 -0.101 0.000 0.894 9 L HN 0.317 nan 8.230 nan 0.000 0.432 10 L N -0.524 120.617 121.223 -0.137 0.000 2.141 10 L HA -0.190 4.151 4.340 0.001 0.000 0.209 10 L C 2.507 179.272 176.870 -0.176 0.000 1.094 10 L CA 0.879 55.634 54.840 -0.141 0.000 0.763 10 L CB -0.389 41.597 42.059 -0.122 0.000 0.908 10 L HN 0.246 nan 8.230 nan 0.000 0.437 11 E N 0.430 120.481 120.200 -0.248 0.000 2.047 11 E HA -0.169 4.182 4.350 0.001 0.000 0.191 11 E C 2.249 178.778 176.600 -0.118 0.000 0.987 11 E CA 1.328 57.600 56.400 -0.213 0.000 0.799 11 E CB -0.096 29.448 29.700 -0.260 0.000 0.752 11 E HN 0.369 nan 8.360 nan 0.000 0.449 12 A N 0.697 123.456 122.820 -0.102 0.000 1.883 12 A HA -0.299 4.021 4.320 0.001 0.000 0.217 12 A C 2.119 179.666 177.584 -0.062 0.000 1.186 12 A CA 2.134 54.130 52.037 -0.068 0.000 0.624 12 A CB -1.079 17.885 19.000 -0.059 0.000 0.822 12 A HN 0.382 nan 8.150 nan 0.000 0.444 13 N N -1.050 117.607 118.700 -0.072 0.000 2.120 13 N HA -0.172 4.569 4.740 0.001 0.000 0.188 13 N C 1.677 177.150 175.510 -0.062 0.000 1.024 13 N CA 1.707 54.718 53.050 -0.064 0.000 0.852 13 N CB -0.503 37.942 38.487 -0.070 0.000 1.003 13 N HN 0.489 nan 8.380 nan 0.000 0.424 14 c N -0.664 117.893 118.600 -0.071 0.000 2.450 14 c HA 0.127 4.698 4.570 0.001 0.000 0.279 14 c C 2.673 176.741 174.090 -0.037 0.000 1.335 14 c CA 0.821 57.113 56.329 -0.061 0.000 1.749 14 c CB -1.431 41.037 42.510 -0.071 0.000 1.963 14 c HN 0.457 nan 8.230 nan 0.000 0.501 15 S N 0.783 116.461 115.700 -0.038 0.000 2.383 15 S HA -0.053 4.418 4.470 0.001 0.000 0.227 15 S C 1.680 176.266 174.600 -0.023 0.000 1.026 15 S CA 1.276 59.462 58.200 -0.024 0.000 0.981 15 S CB -0.308 62.877 63.200 -0.025 0.000 0.818 15 S HN 0.636 nan 8.310 nan 0.000 0.472 16 L N 1.107 122.312 121.223 -0.030 0.000 2.046 16 L HA -0.130 4.210 4.340 0.001 0.000 0.208 16 L C 2.818 179.672 176.870 -0.027 0.000 1.077 16 L CA 1.208 56.031 54.840 -0.028 0.000 0.747 16 L CB -0.739 41.302 42.059 -0.031 0.000 0.896 16 L HN 0.332 nan 8.230 nan 0.000 0.432 17 A N -0.065 122.737 122.820 -0.030 0.000 1.940 17 A HA -0.237 4.084 4.320 0.001 0.000 0.219 17 A C 2.191 179.762 177.584 -0.023 0.000 1.176 17 A CA 1.661 53.681 52.037 -0.028 0.000 0.631 17 A CB -0.634 18.347 19.000 -0.031 0.000 0.814 17 A HN 0.319 nan 8.150 nan 0.000 0.446 18 L N -0.210 121.002 121.223 -0.017 0.000 1.994 18 L HA -0.058 4.282 4.340 0.001 0.000 0.208 18 L C 2.748 179.604 176.870 -0.023 0.000 1.071 18 L CA 2.212 57.043 54.840 -0.016 0.000 0.745 18 L CB -1.082 40.975 42.059 -0.003 0.000 0.892 18 L HN 0.373 nan 8.230 nan 0.000 0.431 19 A N -0.527 122.281 122.820 -0.020 0.000 1.881 19 A HA -0.340 3.980 4.320 0.001 0.000 0.219 19 A C 2.155 179.725 177.584 -0.024 0.000 1.215 19 A CA 2.387 54.412 52.037 -0.021 0.000 0.648 19 A CB -0.968 18.021 19.000 -0.018 0.000 0.832 19 A HN 0.637 nan 8.150 nan 0.000 0.455 20 E N -0.845 119.340 120.200 -0.025 0.000 2.058 20 E HA -0.208 4.143 4.350 0.001 0.000 0.194 20 E C 2.170 178.751 176.600 -0.032 0.000 0.997 20 E CA 1.203 57.587 56.400 -0.026 0.000 0.801 20 E CB -0.168 29.518 29.700 -0.024 0.000 0.746 20 E HN 0.536 nan 8.360 nan 0.000 0.450 21 E N 0.503 120.679 120.200 -0.041 0.000 2.033 21 E HA -0.207 4.144 4.350 0.001 0.000 0.199 21 E C 2.126 178.688 176.600 -0.064 0.000 1.011 21 E CA 0.939 57.303 56.400 -0.060 0.000 0.815 21 E CB -0.286 29.366 29.700 -0.078 0.000 0.755 21 E HN 0.141 nan 8.360 nan 0.000 0.451 22 L N 0.503 121.693 121.223 -0.055 0.000 2.042 22 L HA -0.169 4.171 4.340 0.001 0.000 0.210 22 L C 2.536 179.385 176.870 -0.035 0.000 1.076 22 L CA 1.124 55.934 54.840 -0.049 0.000 0.749 22 L CB -1.266 40.770 42.059 -0.038 0.000 0.893 22 L HN 0.169 nan 8.230 nan 0.000 0.432 23 L N -1.098 120.109 121.223 -0.028 0.000 1.994 23 L HA -0.190 4.150 4.340 0.001 0.000 0.208 23 L C 2.395 179.254 176.870 -0.019 0.000 1.071 23 L CA 1.635 56.463 54.840 -0.020 0.000 0.745 23 L CB -0.524 41.525 42.059 -0.017 0.000 0.892 23 L HN 0.130 nan 8.230 nan 0.000 0.431 24 L N -0.229 120.980 121.223 -0.022 0.000 2.012 24 L HA -0.254 4.086 4.340 0.001 0.000 0.210 24 L C 2.362 179.221 176.870 -0.019 0.000 1.073 24 L CA 1.869 56.698 54.840 -0.019 0.000 0.748 24 L CB -0.871 41.175 42.059 -0.022 0.000 0.891 24 L HN 0.418 nan 8.230 nan 0.000 0.431 25 D N -0.255 120.127 120.400 -0.030 0.000 2.177 25 D HA -0.138 4.502 4.640 0.001 0.000 0.189 25 D C 1.176 177.470 176.300 -0.011 0.000 1.002 25 D CA 1.578 55.562 54.000 -0.027 0.000 0.845 25 D CB -0.383 40.386 40.800 -0.052 0.000 0.960 25 D HN 0.243 nan 8.370 nan 0.000 0.447 38 S N 1.803 117.356 115.700 -0.244 0.000 2.664 38 S HA 0.502 4.973 4.470 0.001 0.000 0.262 38 S C -1.494 172.883 174.600 -0.371 0.000 1.229 38 S CA -0.332 57.743 58.200 -0.208 0.000 1.151 38 S CB 0.176 63.385 63.200 0.016 0.000 1.054 38 S HN 0.245 nan 8.310 nan 0.000 0.483 39 Y N 0.065 120.325 120.300 -0.066 0.000 2.534 39 Y HA 0.458 5.009 4.550 0.000 0.000 0.329 39 Y C 0.691 176.475 175.900 -0.193 0.000 1.154 39 Y CA -1.189 56.837 58.100 -0.124 0.000 1.192 39 Y CB 0.618 39.026 38.460 -0.087 0.000 1.275 39 Y HN 0.392 nan 8.280 nan 0.000 0.491 40 c N 2.162 120.651 118.600 -0.184 0.000 2.514 40 c HA 0.232 4.802 4.570 0.001 0.000 0.392 40 c C 0.292 174.357 174.090 -0.042 0.000 1.294 40 c CA -1.077 54.980 56.329 -0.453 0.000 1.957 40 c CB -1.474 40.090 42.510 -1.577 0.000 2.541 40 c HN 0.766 nan 8.230 nan 0.000 0.569 41 N N 1.140 119.928 118.700 0.147 0.000 2.525 41 N HA 0.222 4.962 4.740 0.001 0.000 0.271 41 N C -0.049 175.721 175.510 0.434 0.000 1.194 41 N CA 0.042 53.236 53.050 0.241 0.000 0.964 41 N CB 0.538 39.124 38.487 0.165 0.000 1.126 41 N HN 0.632 nan 8.380 nan 0.000 0.452 42 T N 1.654 116.375 114.554 0.279 0.000 2.849 42 T HA 0.104 4.455 4.350 0.001 0.000 0.289 42 T C 0.131 174.955 174.700 0.206 0.000 1.010 42 T CA 0.120 62.367 62.100 0.246 0.000 1.161 42 T CB -0.267 68.674 68.868 0.121 0.000 0.989 42 T HN 0.580 nan 8.240 nan 0.000 0.523 43 T N 1.304 115.952 114.554 0.158 0.000 2.865 43 T HA 0.657 5.008 4.350 0.001 0.000 0.294 43 T C -1.102 173.625 174.700 0.044 0.000 1.119 43 T CA -1.024 61.122 62.100 0.077 0.000 1.007 43 T CB 1.565 70.449 68.868 0.027 0.000 1.225 43 T HN 0.365 nan 8.240 nan 0.000 0.515 44 L N 2.523 123.770 121.223 0.040 0.000 2.325 44 L HA 0.577 4.918 4.340 0.001 0.000 0.281 44 L C -0.727 176.193 176.870 0.083 0.000 1.004 44 L CA -0.341 54.515 54.840 0.026 0.000 0.823 44 L CB 1.029 43.083 42.059 -0.008 0.000 1.236 44 L HN 0.889 nan 8.230 nan 0.000 0.415 45 D N 2.828 123.302 120.400 0.122 0.000 2.411 45 D HA 0.073 4.713 4.640 0.001 0.000 0.251 45 D C 0.577 176.944 176.300 0.112 0.000 1.201 45 D CA -0.299 53.784 54.000 0.138 0.000 0.996 45 D CB 0.502 41.446 40.800 0.241 0.000 1.101 45 D HN 0.585 nan 8.370 nan 0.000 0.504 46 Q N -0.017 119.834 119.800 0.086 0.000 2.515 46 Q HA -0.051 4.289 4.340 0.001 0.000 0.212 46 Q C 0.992 177.035 176.000 0.072 0.000 0.970 46 Q CA 0.659 56.514 55.803 0.086 0.000 0.941 46 Q CB -0.163 28.616 28.738 0.069 0.000 0.998 46 Q HN 0.508 nan 8.270 nan 0.000 0.518 47 I N -0.382 120.151 120.570 -0.060 0.000 3.645 47 I HA 0.225 4.396 4.170 0.001 0.000 0.300 47 I C 1.341 177.434 176.117 -0.039 0.000 1.260 47 I CA 0.935 62.056 61.300 -0.298 0.000 1.365 47 I CB -0.342 37.184 38.000 -0.790 0.000 1.077 47 I HN 0.360 nan 8.210 nan 0.000 0.439 48 G N 1.291 110.115 108.800 0.040 0.000 2.154 48 G HA2 -0.194 3.767 3.960 0.001 0.000 0.186 48 G HA3 -0.194 3.767 3.960 0.001 0.000 0.186 48 G C 0.296 175.161 174.900 -0.058 0.000 1.000 48 G CA 0.085 45.220 45.100 0.058 0.000 0.664 48 G HN 0.297 nan 8.290 nan 0.000 0.513 49 T N 0.649 115.131 114.554 -0.120 0.000 2.817 49 T HA 0.439 4.790 4.350 0.001 0.000 0.293 49 T C 0.370 174.794 174.700 -0.460 0.000 0.964 49 T CA 0.282 62.172 62.100 -0.349 0.000 1.085 49 T CB 1.866 70.424 68.868 -0.516 0.000 0.921 49 T HN 0.781 nan 8.240 nan 0.000 0.502 50 c N 6.249 124.572 118.600 -0.462 0.000 2.225 50 c HA 0.508 5.079 4.570 0.001 0.000 0.328 50 c C -0.403 173.416 174.090 -0.452 0.000 1.187 50 c CA -1.346 54.782 56.329 -0.335 0.000 1.665 50 c CB -1.710 40.686 42.510 -0.190 0.000 2.253 50 c HN 0.920 nan 8.230 nan 0.000 0.497 51 W N 8.561 129.741 121.300 -0.200 0.000 2.388 51 W HA 0.338 4.998 4.660 0.001 0.000 0.308 51 W C -1.703 174.805 176.519 -0.017 0.000 1.263 51 W CA -2.233 54.965 57.345 -0.244 0.000 1.286 51 W CB 0.327 29.326 29.460 -0.768 0.000 1.294 51 W HN 0.593 nan 8.180 nan 0.000 0.493 52 P HA 0.077 nan 4.420 nan 0.000 0.274 52 P C -0.270 177.239 177.300 0.347 0.000 1.246 52 P CA -0.604 62.626 63.100 0.215 0.000 0.795 52 P CB 0.720 32.495 31.700 0.124 0.000 1.006 53 R N 0.849 121.461 120.500 0.187 0.000 2.504 53 R HA 0.211 4.552 4.340 0.001 0.000 0.291 53 R C -0.422 175.928 176.300 0.083 0.000 0.974 53 R CA 0.859 57.023 56.100 0.107 0.000 1.077 53 R CB -0.236 30.006 30.300 -0.097 0.000 0.926 53 R HN 0.492 nan 8.270 nan 0.000 0.407 54 S N 2.001 117.763 115.700 0.104 0.000 2.564 54 S HA 0.558 5.029 4.470 0.001 0.000 0.274 54 S C -1.047 173.652 174.600 0.164 0.000 1.124 54 S CA -0.800 57.465 58.200 0.109 0.000 0.869 54 S CB 2.031 65.294 63.200 0.105 0.000 1.105 54 S HN 0.778 nan 8.310 nan 0.000 0.472 55 A N 1.371 124.305 122.820 0.190 0.000 2.425 55 A HA 0.674 4.994 4.320 0.001 0.000 0.249 55 A C 0.615 178.159 177.584 -0.067 0.000 1.084 55 A CA -0.196 51.906 52.037 0.109 0.000 0.781 55 A CB -0.301 18.752 19.000 0.088 0.000 1.019 55 A HN 1.288 nan 8.150 nan 0.000 0.490 56 A N 1.253 123.990 122.820 -0.138 0.000 2.566 56 A HA 0.455 4.775 4.320 0.001 0.000 0.245 56 A C 1.606 179.126 177.584 -0.106 0.000 1.056 56 A CA 0.939 52.885 52.037 -0.152 0.000 0.757 56 A CB -0.849 18.062 19.000 -0.148 0.000 0.979 56 A HN 2.757 nan 8.150 nan 0.000 0.508 57 G N 0.747 109.485 108.800 -0.104 0.000 2.176 57 G HA2 0.179 4.139 3.960 0.001 0.000 0.232 57 G HA3 0.179 4.139 3.960 0.001 0.000 0.232 57 G C 0.479 175.355 174.900 -0.040 0.000 0.986 57 G CA 0.337 45.399 45.100 -0.064 0.000 0.643 57 G HN 2.211 nan 8.290 nan 0.000 0.522 58 A N 0.018 122.812 122.820 -0.042 0.000 2.331 58 A HA 0.769 5.089 4.320 0.001 0.000 0.283 58 A C 0.002 177.607 177.584 0.035 0.000 1.142 58 A CA -0.264 51.777 52.037 0.007 0.000 0.812 58 A CB 1.083 20.102 19.000 0.030 0.000 1.074 58 A HN 1.332 nan 8.150 nan 0.000 0.497 59 L N 4.117 125.381 121.223 0.069 0.000 2.260 59 L HA 0.501 4.841 4.340 0.001 0.000 0.289 59 L C -0.492 176.485 176.870 0.178 0.000 1.057 59 L CA 0.151 55.058 54.840 0.110 0.000 0.811 59 L CB 1.042 43.157 42.059 0.094 0.000 1.184 59 L HN 0.420 nan 8.230 nan 0.000 0.429 60 V N 4.927 124.982 119.914 0.236 0.000 2.472 60 V HA 0.463 4.584 4.120 0.001 0.000 0.290 60 V C -0.225 176.077 176.094 0.346 0.000 1.037 60 V CA -0.731 61.759 62.300 0.317 0.000 0.908 60 V CB 1.536 33.655 31.823 0.493 0.000 0.985 60 V HN 0.807 nan 8.190 nan 0.000 0.454 61 E N 4.923 125.254 120.200 0.219 0.000 2.183 61 E HA 0.771 5.122 4.350 0.001 0.000 0.271 61 E C -1.122 175.435 176.600 -0.073 0.000 0.919 61 E CA -1.125 55.272 56.400 -0.006 0.000 0.781 61 E CB 2.111 31.714 29.700 -0.162 0.000 1.140 61 E HN 0.364 nan 8.360 nan 0.000 0.402 62 R N 1.995 122.335 120.500 -0.267 0.000 2.750 62 R HA 0.467 4.807 4.340 0.001 0.000 0.281 62 R C -2.736 173.364 176.300 -0.333 0.000 0.972 62 R CA -2.884 52.986 56.100 -0.383 0.000 0.912 62 R CB 0.956 30.798 30.300 -0.763 0.000 1.187 62 R HN 0.438 nan 8.270 nan 0.000 0.464 63 P HA 0.087 nan 4.420 nan 0.000 0.269 63 P C -0.093 177.110 177.300 -0.161 0.000 1.209 63 P CA -0.311 62.691 63.100 -0.163 0.000 0.776 63 P CB 0.427 32.064 31.700 -0.105 0.000 0.876 64 c N 4.750 123.294 118.600 -0.094 0.000 2.665 64 c HA 0.115 4.686 4.570 0.001 0.000 0.416 64 c C -1.461 172.612 174.090 -0.029 0.000 1.305 64 c CA -0.447 55.856 56.329 -0.045 0.000 1.903 64 c CB -1.117 41.399 42.510 0.009 0.000 2.704 64 c HN 0.548 nan 8.230 nan 0.000 0.629 65 P HA 0.056 nan 4.420 nan 0.000 0.269 65 P C 0.280 177.649 177.300 0.116 0.000 1.209 65 P CA 0.345 63.444 63.100 -0.001 0.000 0.776 65 P CB 0.524 32.196 31.700 -0.047 0.000 0.876 66 E N 1.408 121.705 120.200 0.161 0.000 2.208 66 E HA -0.119 4.232 4.350 0.001 0.000 0.193 66 E C -0.374 176.441 176.600 0.359 0.000 0.988 66 E CA 0.564 57.098 56.400 0.223 0.000 0.828 66 E CB 0.117 29.917 29.700 0.168 0.000 0.763 66 E HN 0.520 nan 8.360 nan 0.000 0.478 67 Y N -0.643 119.805 120.300 0.248 0.000 2.470 67 Y HA 0.418 4.968 4.550 0.001 0.000 0.341 67 Y C -1.877 174.257 175.900 0.391 0.000 1.021 67 Y CA -1.220 57.064 58.100 0.308 0.000 1.025 67 Y CB 1.382 40.009 38.460 0.279 0.000 1.266 67 Y HN -0.100 nan 8.280 nan 0.000 0.448 68 F N 6.407 126.149 119.950 -0.347 0.000 2.605 68 F HA 0.359 4.886 4.527 0.001 0.000 0.320 68 F C -0.662 174.890 175.800 -0.413 0.000 1.159 68 F CA -1.040 56.797 58.000 -0.271 0.000 0.999 68 F CB 1.150 40.067 39.000 -0.137 0.000 1.258 68 F HN 0.678 nan 8.300 nan 0.000 0.464 69 N N 4.262 122.343 118.700 -1.033 0.000 2.689 69 N HA -0.180 4.561 4.740 0.001 0.000 0.263 69 N C 0.981 176.183 175.510 -0.513 0.000 0.987 69 N CA 1.744 54.349 53.050 -0.741 0.000 0.782 69 N CB -0.854 37.107 38.487 -0.877 0.000 0.903 69 N HN 1.502 nan 8.380 nan 0.000 0.547 70 G N -2.578 105.881 108.800 -0.568 0.000 2.166 70 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 70 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 70 G C -0.001 174.723 174.900 -0.293 0.000 0.986 70 G CA 0.542 45.484 45.100 -0.264 0.000 0.683 70 G HN 0.582 nan 8.290 nan 0.000 0.527 71 V N 0.377 120.022 119.914 -0.449 0.000 2.656 71 V HA 0.509 4.629 4.120 0.001 0.000 0.307 71 V C 0.209 176.139 176.094 -0.273 0.000 1.051 71 V CA -1.126 60.985 62.300 -0.316 0.000 0.893 71 V CB 1.987 33.616 31.823 -0.324 0.000 0.999 71 V HN 0.275 nan 8.190 nan 0.000 0.426 72 K N 3.419 123.691 120.400 -0.213 0.000 2.143 72 K HA 0.629 4.950 4.320 0.001 0.000 0.272 72 K C -1.545 174.900 176.600 -0.258 0.000 1.001 72 K CA -0.444 55.809 56.287 -0.057 0.000 0.915 72 K CB 1.493 34.009 32.500 0.027 0.000 1.047 72 K HN 0.528 nan 8.250 nan 0.000 0.458 73 Y N 0.231 120.561 120.300 0.050 0.000 2.562 73 Y HA 0.147 4.698 4.550 0.001 0.000 0.343 73 Y C 0.308 176.232 175.900 0.040 0.000 1.025 73 Y CA -1.174 56.950 58.100 0.041 0.000 1.082 73 Y CB 1.246 39.732 38.460 0.044 0.000 1.264 73 Y HN 0.538 nan 8.280 nan 0.000 0.478 74 N N 0.657 119.472 118.700 0.191 0.000 2.399 74 N HA 0.010 4.751 4.740 0.001 0.000 0.259 74 N C 0.664 176.239 175.510 0.109 0.000 1.160 74 N CA 0.200 53.319 53.050 0.116 0.000 0.946 74 N CB 0.651 39.190 38.487 0.087 0.000 1.156 74 N HN 0.754 nan 8.380 nan 0.000 0.489 75 T N -0.989 113.616 114.554 0.084 0.000 3.113 75 T HA -0.118 4.233 4.350 0.001 0.000 0.263 75 T C 1.427 176.140 174.700 0.023 0.000 1.143 75 T CA 1.139 63.270 62.100 0.051 0.000 1.090 75 T CB -0.622 68.271 68.868 0.042 0.000 0.922 75 T HN 0.518 nan 8.240 nan 0.000 0.521 76 T N -0.695 113.878 114.554 0.031 0.000 3.160 76 T HA 0.196 4.547 4.350 0.001 0.000 0.257 76 T C 0.874 175.588 174.700 0.023 0.000 1.147 76 T CA -0.363 61.750 62.100 0.021 0.000 1.064 76 T CB -0.062 68.822 68.868 0.026 0.000 0.949 76 T HN 0.179 nan 8.240 nan 0.000 0.526 77 R N 1.751 122.269 120.500 0.029 0.000 2.598 77 R HA 0.516 4.857 4.340 0.001 0.000 0.279 77 R C -0.411 175.873 176.300 -0.026 0.000 0.984 77 R CA -0.641 55.478 56.100 0.033 0.000 0.999 77 R CB 0.770 31.110 30.300 0.068 0.000 1.114 77 R HN 0.265 nan 8.270 nan 0.000 0.493 78 N N -0.129 118.530 118.700 -0.068 0.000 2.370 78 N HA 0.454 5.195 4.740 0.001 0.000 0.303 78 N C -0.812 174.458 175.510 -0.400 0.000 1.103 78 N CA -0.401 52.472 53.050 -0.295 0.000 0.848 78 N CB 2.233 40.425 38.487 -0.492 0.000 1.235 78 N HN 0.568 nan 8.380 nan 0.000 0.496 79 A N 1.180 123.719 122.820 -0.468 0.000 2.269 79 A HA 0.733 5.053 4.320 0.001 0.000 0.319 79 A C -1.434 175.864 177.584 -0.477 0.000 1.110 79 A CA -0.299 51.484 52.037 -0.424 0.000 0.847 79 A CB 0.489 19.157 19.000 -0.553 0.000 1.161 79 A HN 0.645 nan 8.150 nan 0.000 0.497 80 Y N -0.518 119.789 120.300 0.012 0.000 2.421 80 Y HA 0.656 5.206 4.550 0.001 0.000 0.339 80 Y C 0.096 175.891 175.900 -0.174 0.000 0.996 80 Y CA -0.422 57.698 58.100 0.033 0.000 1.046 80 Y CB 2.145 40.596 38.460 -0.015 0.000 1.226 80 Y HN 0.812 nan 8.280 nan 0.000 0.445 81 R N 1.976 122.350 120.500 -0.211 0.000 2.604 81 R HA 0.360 4.700 4.340 0.001 0.000 0.281 81 R C -1.450 174.792 176.300 -0.098 0.000 1.020 81 R CA -0.671 55.138 56.100 -0.484 0.000 0.899 81 R CB 1.877 31.235 30.300 -1.569 0.000 1.205 81 R HN 0.819 nan 8.270 nan 0.000 0.450 82 E N 2.995 123.189 120.200 -0.011 0.000 2.227 82 E HA 0.141 4.491 4.350 0.001 0.000 0.282 82 E C -1.178 175.473 176.600 0.085 0.000 1.015 82 E CA -0.445 55.987 56.400 0.054 0.000 0.823 82 E CB 1.317 31.021 29.700 0.007 0.000 1.081 82 E HN 0.532 nan 8.360 nan 0.000 0.396 83 c N 7.278 125.828 118.600 -0.083 0.000 2.246 83 c HA 0.395 4.965 4.570 0.001 0.000 0.329 83 c C 0.219 174.173 174.090 -0.227 0.000 1.221 83 c CA -0.720 55.368 56.329 -0.402 0.000 1.697 83 c CB -1.463 40.651 42.510 -0.659 0.000 2.312 83 c HN 0.668 nan 8.230 nan 0.000 0.509 84 L N 5.642 126.755 121.223 -0.184 0.000 2.473 84 L HA 0.178 4.518 4.340 0.001 0.000 0.268 84 L C 1.678 178.475 176.870 -0.121 0.000 1.215 84 L CA 0.144 54.916 54.840 -0.112 0.000 0.823 84 L CB 0.473 42.489 42.059 -0.073 0.000 1.099 84 L HN 0.696 nan 8.230 nan 0.000 0.483 85 E N 0.866 121.014 120.200 -0.085 0.000 2.273 85 E HA -0.233 4.118 4.350 0.001 0.000 0.198 85 E C 0.834 177.383 176.600 -0.084 0.000 1.002 85 E CA 1.467 57.819 56.400 -0.080 0.000 0.828 85 E CB -0.254 29.411 29.700 -0.059 0.000 0.747 85 E HN 0.669 nan 8.360 nan 0.000 0.491 86 N N -0.460 118.192 118.700 -0.080 0.000 2.268 86 N HA 0.084 4.824 4.740 0.001 0.000 0.204 86 N C 0.869 176.330 175.510 -0.081 0.000 1.124 86 N CA 0.519 53.527 53.050 -0.069 0.000 0.838 86 N CB 0.788 39.246 38.487 -0.048 0.000 0.994 86 N HN 0.114 nan 8.380 nan 0.000 0.489 87 G N -0.607 108.118 108.800 -0.124 0.000 2.147 87 G HA2 -0.269 3.691 3.960 0.001 0.000 0.244 87 G HA3 -0.269 3.691 3.960 0.001 0.000 0.244 87 G C -0.006 174.787 174.900 -0.177 0.000 1.005 87 G CA 0.619 45.628 45.100 -0.152 0.000 0.713 87 G HN 0.866 nan 8.290 nan 0.000 0.515 88 T N -2.899 111.552 114.554 -0.172 0.000 2.887 88 T HA 0.583 4.933 4.350 0.001 0.000 0.288 88 T C -0.001 174.600 174.700 -0.165 0.000 1.021 88 T CA -0.898 61.123 62.100 -0.132 0.000 1.000 88 T CB 1.599 70.451 68.868 -0.027 0.000 1.034 88 T HN 0.391 nan 8.240 nan 0.000 0.467 89 W N 1.838 123.112 121.300 -0.042 0.000 2.253 89 W HA 0.517 5.178 4.660 0.001 0.000 0.322 89 W C 1.034 177.496 176.519 -0.096 0.000 1.342 89 W CA -0.616 56.673 57.345 -0.094 0.000 1.218 89 W CB 0.380 29.766 29.460 -0.124 0.000 1.205 89 W HN 1.030 nan 8.180 nan 0.000 0.551 90 A N 2.269 125.186 122.820 0.162 0.000 2.561 90 A HA 0.057 4.378 4.320 0.001 0.000 0.234 90 A C 1.447 179.058 177.584 0.045 0.000 1.055 90 A CA 0.633 52.709 52.037 0.064 0.000 0.756 90 A CB 0.219 19.231 19.000 0.021 0.000 0.986 90 A HN 0.822 nan 8.150 nan 0.000 0.505 91 S N 1.503 117.218 115.700 0.025 0.000 2.414 91 S HA 0.001 4.471 4.470 0.001 0.000 0.227 91 S C 0.844 175.442 174.600 -0.005 0.000 1.022 91 S CA 0.973 59.182 58.200 0.016 0.000 0.958 91 S CB -0.166 63.048 63.200 0.022 0.000 0.797 91 S HN 0.689 nan 8.310 nan 0.000 0.493 92 K N 1.156 121.551 120.400 -0.009 0.000 2.234 92 K HA 0.478 4.798 4.320 0.001 0.000 0.282 92 K C -1.227 175.344 176.600 -0.048 0.000 1.039 92 K CA -0.381 55.901 56.287 -0.009 0.000 0.928 92 K CB 0.515 33.015 32.500 0.000 0.000 1.039 92 K HN 0.311 nan 8.250 nan 0.000 0.470 93 I N 3.465 124.024 120.570 -0.019 0.000 2.362 93 I HA 0.121 4.292 4.170 0.001 0.000 0.289 93 I C -0.030 176.077 176.117 -0.017 0.000 0.994 93 I CA -0.943 60.310 61.300 -0.078 0.000 1.158 93 I CB 1.459 39.447 38.000 -0.020 0.000 1.315 93 I HN 0.500 nan 8.210 nan 0.000 0.451 94 N N 5.580 124.240 118.700 -0.066 0.000 2.406 94 N HA 0.043 4.783 4.740 0.001 0.000 0.265 94 N C -0.416 175.054 175.510 -0.067 0.000 1.203 94 N CA 0.523 53.576 53.050 0.006 0.000 0.945 94 N CB 0.191 38.716 38.487 0.064 0.000 1.165 94 N HN 0.471 nan 8.380 nan 0.000 0.485 95 Y N 0.604 120.937 120.300 0.056 0.000 2.636 95 Y HA 0.040 4.590 4.550 0.001 0.000 0.260 95 Y C 2.050 177.962 175.900 0.021 0.000 1.177 95 Y CA -0.214 57.892 58.100 0.011 0.000 1.209 95 Y CB 0.301 38.710 38.460 -0.084 0.000 1.166 95 Y HN 0.588 nan 8.280 nan 0.000 0.531 96 S N -0.831 114.963 115.700 0.156 0.000 2.442 96 S HA -0.188 4.283 4.470 0.001 0.000 0.236 96 S C 1.491 176.162 174.600 0.117 0.000 1.007 96 S CA 1.078 59.348 58.200 0.115 0.000 0.965 96 S CB -0.019 63.227 63.200 0.076 0.000 0.773 96 S HN 0.373 nan 8.310 nan 0.000 0.504 97 Q N 0.047 119.932 119.800 0.142 0.000 2.319 97 Q HA 0.261 4.601 4.340 0.001 0.000 0.202 97 Q C 0.061 176.139 176.000 0.130 0.000 0.896 97 Q CA 0.019 55.904 55.803 0.137 0.000 0.942 97 Q CB -0.210 28.640 28.738 0.185 0.000 1.083 97 Q HN 0.582 nan 8.270 nan 0.000 0.510 98 c N 3.082 121.764 118.600 0.137 0.000 2.383 98 c HA 0.274 4.844 4.570 0.001 0.000 0.350 98 c C 0.685 174.940 174.090 0.275 0.000 1.173 98 c CA -0.780 55.640 56.329 0.151 0.000 1.645 98 c CB -1.057 41.468 42.510 0.025 0.000 2.221 98 c HN 0.216 nan 8.230 nan 0.000 0.528 99 E N 4.958 125.323 120.200 0.275 0.000 2.216 99 E HA 0.299 4.650 4.350 0.001 0.000 0.279 99 E C -2.115 174.612 176.600 0.212 0.000 0.997 99 E CA -1.439 55.098 56.400 0.228 0.000 0.817 99 E CB 1.136 30.902 29.700 0.111 0.000 1.096 99 E HN 0.449 nan 8.360 nan 0.000 0.393 100 P HA 0.023 nan 4.420 nan 0.000 0.270 100 P C -0.333 176.848 177.300 -0.200 0.000 1.223 100 P CA 0.273 63.100 63.100 -0.456 0.000 0.785 100 P CB 0.621 32.089 31.700 -0.386 0.000 0.923 101 I N 1.401 121.844 120.570 -0.212 0.000 2.315 101 I HA 0.198 4.369 4.170 0.001 0.000 0.291 101 I C 0.631 176.685 176.117 -0.106 0.000 1.006 101 I CA -0.581 60.657 61.300 -0.103 0.000 1.265 101 I CB 0.397 38.359 38.000 -0.063 0.000 1.387 101 I HN 0.130 nan 8.210 nan 0.000 0.475 102 L N 0.000 121.179 121.223 -0.073 0.000 2.949 102 L HA 0.000 4.341 4.340 0.001 0.000 0.249 102 L CA 0.000 54.801 54.840 -0.065 0.000 0.813 102 L CB 0.000 42.026 42.059 -0.054 0.000 0.961 102 L HN 0.000 nan 8.230 nan 0.000 0.502