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 2vyc_1_J DATA FIRST_RESID 1 DATA SEQUENCE MKVLIVESEF LHQDTWVGNA VERLADALSQ QNVTVIKSTS FDDGFAILSS DATA SEQUENCE NEAIDCLMFS YQMEHPDEHQ NVRQLIGKLH ERQQNVPVFL LGDREKALAA DATA SEQUENCE MDRDLLELVD EFAWILEDTA DFIAGRAVAA MTRYRQQLLP PLFSALMKYS DATA SEQUENCE DIHEYSWAAP GHQGGVGFTK TPAGRFYHDY YGENLFRTDM GIERTSLGSL DATA SEQUENCE LDHTGAFGES EKYAARVFGA DRSWSVVVGT SGSNRTIMQA CMTDNDVVVV DATA SEQUENCE DRNCHKSIEQ GLMLTGAKPV YMVPSRNRYG IIGPIYPQEM QPETLQKKIS DATA SEQUENCE ESPLTKDKAG QKPSYCVVTN CTYDGVCYNA KEAQDLLEKT SDRLHFDEAW DATA SEQUENCE YGYARFNPIY ADHYAMRGEP GDHNGPTVFA THSTHXLLNA LSQASYIHVR DATA SEQUENCE EGRGAINFSR FNQAYMMHAT TSPLYAICAS NDVAVSMMDG NSGLSLTQEV DATA SEQUENCE IDEAVDFRQA MARLYKEFTA DGSWFFKPWN KEVVTDPQTG KTYDFADAPT DATA SEQUENCE KLLTTVQDCW VMHPGESWHG FKDIPDNWSM LDPIKVSILA PGMGEDGELE DATA SEQUENCE ETGVPAALVT AWLGRHGIVP TRTTDFQIMF LFSMGVTRGK WGTLVNTLCS DATA SEQUENCE FKRHYDANTP LAQVMPELVE QYPDTYANMG IHDLGDTMFA WLKENNPGAR DATA SEQUENCE LNEAYSGLPV AEVTPREAYN AIVDNNVELV SIENLPGRIA ANSVIPYPPG DATA SEQUENCE IPMLLSGENF GDKNSPQVSY LRSLQSWDHH FPGFEHETEG TEIIDGIYHV DATA SEQUENCE MCVKA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 2.667 123.075 120.400 0.013 0.000 2.323 2 K HA 0.788 5.108 4.320 0.000 0.000 0.259 2 K C -1.611 174.977 176.600 -0.021 0.000 0.947 2 K CA -0.571 55.715 56.287 -0.002 0.000 0.819 2 K CB 1.912 34.418 32.500 0.010 0.000 1.109 2 K HN 0.525 nan 8.250 nan 0.000 0.429 3 V N 5.105 124.996 119.914 -0.039 0.000 2.435 3 V HA 0.323 4.443 4.120 0.000 0.000 0.290 3 V C -0.622 175.445 176.094 -0.045 0.000 1.030 3 V CA -1.006 61.259 62.300 -0.058 0.000 0.881 3 V CB 1.466 33.236 31.823 -0.089 0.000 0.983 3 V HN 0.617 nan 8.190 nan 0.000 0.445 4 L N 6.989 128.188 121.223 -0.040 0.000 2.257 4 L HA 0.591 4.931 4.340 0.000 0.000 0.290 4 L C -0.454 176.399 176.870 -0.029 0.000 1.044 4 L CA 0.338 55.158 54.840 -0.033 0.000 0.810 4 L CB 0.742 42.785 42.059 -0.027 0.000 1.193 4 L HN 0.513 nan 8.230 nan 0.000 0.425 5 I N 6.032 126.580 120.570 -0.037 0.000 2.339 5 I HA 0.331 4.501 4.170 0.000 0.000 0.290 5 I C -0.661 175.425 176.117 -0.052 0.000 0.994 5 I CA -0.819 60.462 61.300 -0.032 0.000 1.191 5 I CB 1.650 39.626 38.000 -0.040 0.000 1.343 5 I HN 0.235 nan 8.210 nan 0.000 0.458 6 V N 6.451 126.334 119.914 -0.052 0.000 2.328 6 V HA 0.205 4.325 4.120 0.000 0.000 0.278 6 V C 0.108 176.086 176.094 -0.193 0.000 1.021 6 V CA -0.659 61.542 62.300 -0.166 0.000 0.838 6 V CB 1.084 32.743 31.823 -0.272 0.000 0.999 6 V HN 0.684 nan 8.190 nan 0.000 0.447 7 E N 2.750 122.846 120.200 -0.174 0.000 2.152 7 E HA 0.214 4.564 4.350 0.000 0.000 0.285 7 E C 0.179 176.599 176.600 -0.300 0.000 1.043 7 E CA -0.114 56.205 56.400 -0.135 0.000 0.839 7 E CB 1.201 30.910 29.700 0.014 0.000 1.069 7 E HN 0.629 nan 8.360 nan 0.000 0.399 8 S N 3.385 118.897 115.700 -0.312 0.000 2.525 8 S HA -0.062 4.408 4.470 0.000 0.000 0.285 8 S C 1.437 175.807 174.600 -0.383 0.000 1.283 8 S CA -0.532 57.506 58.200 -0.270 0.000 1.072 8 S CB 0.506 63.828 63.200 0.203 0.000 0.867 8 S HN 0.573 nan 8.310 nan 0.000 0.492 9 E N 5.262 125.201 120.200 -0.436 0.000 2.267 9 E HA -0.208 4.142 4.350 0.000 0.000 0.197 9 E C 1.063 177.356 176.600 -0.511 0.000 0.998 9 E CA 1.392 57.321 56.400 -0.786 0.000 0.830 9 E CB -0.584 28.878 29.700 -0.396 0.000 0.751 9 E HN 0.861 nan 8.360 nan 0.000 0.491 10 F N 0.717 120.558 119.950 -0.181 0.000 2.546 10 F HA 0.070 4.597 4.527 0.000 0.000 0.298 10 F C 2.004 177.752 175.800 -0.086 0.000 1.120 10 F CA 0.638 58.593 58.000 -0.075 0.000 1.456 10 F CB -0.006 39.007 39.000 0.021 0.000 1.088 10 F HN -0.060 nan 8.300 nan 0.000 0.572 11 L N -1.241 119.978 121.223 -0.006 0.000 2.728 11 L HA 0.107 4.447 4.340 0.000 0.000 0.238 11 L C 1.615 178.429 176.870 -0.094 0.000 1.143 11 L CA -0.089 54.718 54.840 -0.056 0.000 0.937 11 L CB -0.436 41.600 42.059 -0.039 0.000 1.225 11 L HN 0.070 nan 8.230 nan 0.000 0.507 12 H N 1.027 120.039 119.070 -0.098 0.000 2.457 12 H HA -0.157 4.399 4.556 0.000 0.000 0.297 12 H C 2.195 177.426 175.328 -0.162 0.000 1.092 12 H CA 1.399 57.368 56.048 -0.131 0.000 1.309 12 H CB 0.145 29.839 29.762 -0.113 0.000 1.382 12 H HN 0.479 nan 8.280 nan 0.000 0.535 13 Q N 0.933 120.708 119.800 -0.042 0.000 2.187 13 Q HA -0.079 4.261 4.340 0.000 0.000 0.199 13 Q C -0.203 175.640 176.000 -0.261 0.000 0.957 13 Q CA 0.793 56.541 55.803 -0.091 0.000 0.857 13 Q CB -0.308 28.409 28.738 -0.036 0.000 0.929 13 Q HN 0.211 nan 8.270 nan 0.000 0.453 14 D N 3.250 123.356 120.400 -0.489 0.000 2.541 14 D HA 0.006 4.646 4.640 0.000 0.000 0.231 14 D C 0.867 176.478 176.300 -1.149 0.000 1.163 14 D CA 0.673 53.877 54.000 -1.328 0.000 1.077 14 D CB 0.678 40.776 40.800 -1.170 0.000 1.110 14 D HN 0.430 nan 8.370 nan 0.000 0.499 15 T N -1.555 112.603 114.554 -0.660 0.000 2.977 15 T HA -0.185 4.165 4.350 0.000 0.000 0.271 15 T C 1.728 176.363 174.700 -0.109 0.000 1.105 15 T CA 0.452 62.416 62.100 -0.226 0.000 1.116 15 T CB -0.436 68.421 68.868 -0.017 0.000 0.878 15 T HN 0.598 nan 8.240 nan 0.000 0.509 16 W N 0.975 122.293 121.300 0.030 0.000 2.584 16 W HA 0.348 5.008 4.660 0.000 0.000 0.264 16 W C 1.528 178.066 176.519 0.033 0.000 1.264 16 W CA -0.099 57.262 57.345 0.026 0.000 1.306 16 W CB -0.848 28.625 29.460 0.023 0.000 1.110 16 W HN 0.010 nan 8.180 nan 0.000 0.606 17 V N 2.527 122.275 119.914 -0.277 0.000 2.295 17 V HA -0.194 3.926 4.120 0.000 0.000 0.246 17 V C 2.635 178.707 176.094 -0.036 0.000 1.049 17 V CA 2.340 64.576 62.300 -0.108 0.000 1.024 17 V CB -1.540 30.166 31.823 -0.194 0.000 0.648 17 V HN 0.447 nan 8.190 nan 0.000 0.447 18 G N 0.004 108.766 108.800 -0.064 0.000 2.440 18 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 18 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 18 G C 1.363 176.263 174.900 0.000 0.000 1.154 18 G CA 1.296 46.380 45.100 -0.026 0.000 0.767 18 G HN 0.635 nan 8.290 nan 0.000 0.552 19 N N 0.948 119.664 118.700 0.027 0.000 2.043 19 N HA -0.094 4.646 4.740 0.000 0.000 0.193 19 N C 2.582 178.120 175.510 0.047 0.000 1.037 19 N CA 1.090 54.169 53.050 0.048 0.000 0.851 19 N CB -0.220 38.321 38.487 0.091 0.000 1.027 19 N HN 0.362 nan 8.380 nan 0.000 0.422 20 A N 0.883 123.745 122.820 0.070 0.000 1.883 20 A HA -0.126 4.194 4.320 0.000 0.000 0.217 20 A C 2.431 180.035 177.584 0.034 0.000 1.186 20 A CA 1.356 53.431 52.037 0.064 0.000 0.624 20 A CB -0.916 18.143 19.000 0.099 0.000 0.822 20 A HN 0.128 nan 8.150 nan 0.000 0.444 21 V N 0.117 120.045 119.914 0.023 0.000 2.407 21 V HA -0.270 3.851 4.120 0.000 0.000 0.248 21 V C 2.539 178.629 176.094 -0.007 0.000 1.055 21 V CA 2.344 64.647 62.300 0.004 0.000 1.049 21 V CB -0.689 31.132 31.823 -0.003 0.000 0.662 21 V HN 0.815 nan 8.190 nan 0.000 0.455 22 E N 0.195 120.392 120.200 -0.005 0.000 2.072 22 E HA -0.224 4.126 4.350 0.000 0.000 0.191 22 E C 2.447 179.040 176.600 -0.011 0.000 0.985 22 E CA 1.044 57.437 56.400 -0.011 0.000 0.801 22 E CB -0.075 29.619 29.700 -0.010 0.000 0.750 22 E HN 0.510 nan 8.360 nan 0.000 0.452 23 R N 0.121 120.619 120.500 -0.004 0.000 2.103 23 R HA -0.188 4.152 4.340 0.000 0.000 0.242 23 R C 2.590 178.878 176.300 -0.019 0.000 1.142 23 R CA 1.460 57.554 56.100 -0.010 0.000 0.960 23 R CB -0.471 29.826 30.300 -0.005 0.000 0.858 23 R HN 0.254 nan 8.270 nan 0.000 0.439 24 L N 0.638 121.850 121.223 -0.017 0.000 2.056 24 L HA -0.050 4.290 4.340 0.000 0.000 0.207 24 L C 2.284 179.132 176.870 -0.037 0.000 1.078 24 L CA 1.913 56.736 54.840 -0.027 0.000 0.749 24 L CB -0.670 41.375 42.059 -0.024 0.000 0.901 24 L HN 0.114 nan 8.230 nan 0.000 0.433 25 A N -0.435 122.365 122.820 -0.034 0.000 1.892 25 A HA -0.339 3.981 4.320 0.000 0.000 0.218 25 A C 2.093 179.657 177.584 -0.032 0.000 1.188 25 A CA 2.144 54.159 52.037 -0.037 0.000 0.631 25 A CB -1.236 17.744 19.000 -0.033 0.000 0.822 25 A HN 0.624 nan 8.150 nan 0.000 0.447 26 D N -0.313 120.071 120.400 -0.026 0.000 2.116 26 D HA -0.096 4.544 4.640 0.000 0.000 0.193 26 D C 2.001 178.286 176.300 -0.024 0.000 0.998 26 D CA 2.038 56.024 54.000 -0.023 0.000 0.836 26 D CB -0.272 40.516 40.800 -0.020 0.000 0.951 26 D HN 0.360 nan 8.370 nan 0.000 0.449 27 A N -0.095 122.709 122.820 -0.028 0.000 1.933 27 A HA -0.074 4.246 4.320 0.000 0.000 0.218 27 A C 2.488 180.056 177.584 -0.027 0.000 1.175 27 A CA 1.154 53.175 52.037 -0.026 0.000 0.628 27 A CB -0.847 18.135 19.000 -0.030 0.000 0.814 27 A HN 0.383 nan 8.150 nan 0.000 0.444 28 L N -0.469 120.732 121.223 -0.037 0.000 2.017 28 L HA -0.183 4.157 4.340 0.000 0.000 0.208 28 L C 2.866 179.717 176.870 -0.032 0.000 1.073 28 L CA 1.568 56.382 54.840 -0.044 0.000 0.745 28 L CB -0.420 41.602 42.059 -0.061 0.000 0.894 28 L HN 0.320 nan 8.230 nan 0.000 0.432 29 S N -0.761 114.922 115.700 -0.028 0.000 2.382 29 S HA -0.245 4.225 4.470 0.000 0.000 0.228 29 S C 1.888 176.478 174.600 -0.016 0.000 1.027 29 S CA 1.184 59.371 58.200 -0.021 0.000 0.991 29 S CB -0.226 62.962 63.200 -0.020 0.000 0.823 29 S HN 0.453 nan 8.310 nan 0.000 0.469 30 Q N 0.480 120.271 119.800 -0.015 0.000 2.291 30 Q HA -0.020 4.320 4.340 0.000 0.000 0.206 30 Q C 1.348 177.345 176.000 -0.006 0.000 0.976 30 Q CA 0.788 56.586 55.803 -0.009 0.000 0.875 30 Q CB -0.033 28.700 28.738 -0.009 0.000 0.927 30 Q HN 0.590 nan 8.270 nan 0.000 0.450 31 Q N 0.041 119.836 119.800 -0.009 0.000 2.201 31 Q HA 0.071 4.411 4.340 0.000 0.000 0.217 31 Q C -0.341 175.655 176.000 -0.007 0.000 0.860 31 Q CA -0.267 55.532 55.803 -0.006 0.000 0.984 31 Q CB 0.387 29.121 28.738 -0.006 0.000 1.095 31 Q HN 0.249 nan 8.270 nan 0.000 0.477 32 N N 0.041 118.736 118.700 -0.008 0.000 2.747 32 N HA -0.152 4.588 4.740 0.000 0.000 0.249 32 N C -1.441 174.063 175.510 -0.009 0.000 1.107 32 N CA 0.314 53.360 53.050 -0.007 0.000 0.707 32 N CB -1.206 37.279 38.487 -0.003 0.000 1.054 32 N HN 0.056 nan 8.380 nan 0.000 0.555 33 V N 0.877 120.781 119.914 -0.016 0.000 2.439 33 V HA 0.358 4.478 4.120 0.000 0.000 0.282 33 V C 0.828 176.909 176.094 -0.021 0.000 1.039 33 V CA -0.370 61.918 62.300 -0.021 0.000 0.913 33 V CB 1.671 33.473 31.823 -0.035 0.000 0.983 33 V HN 0.264 nan 8.190 nan 0.000 0.460 34 T N 4.929 119.473 114.554 -0.017 0.000 2.814 34 T HA 0.367 4.717 4.350 0.000 0.000 0.297 34 T C -0.134 174.551 174.700 -0.025 0.000 0.956 34 T CA -0.115 61.975 62.100 -0.017 0.000 1.123 34 T CB 0.884 69.746 68.868 -0.011 0.000 0.902 34 T HN 0.379 nan 8.240 nan 0.000 0.528 35 V N 5.640 125.537 119.914 -0.028 0.000 2.384 35 V HA 0.423 4.543 4.120 0.000 0.000 0.287 35 V C 0.098 176.174 176.094 -0.031 0.000 1.020 35 V CA -0.798 61.481 62.300 -0.034 0.000 0.850 35 V CB 1.229 33.029 31.823 -0.038 0.000 0.987 35 V HN 0.782 nan 8.190 nan 0.000 0.436 36 I N 5.248 125.799 120.570 -0.032 0.000 2.312 36 I HA 0.400 4.570 4.170 0.000 0.000 0.290 36 I C 0.249 176.343 176.117 -0.038 0.000 1.008 36 I CA -0.404 60.877 61.300 -0.031 0.000 1.226 36 I CB 1.021 39.004 38.000 -0.027 0.000 1.371 36 I HN 0.471 nan 8.210 nan 0.000 0.468 37 K N 4.293 124.669 120.400 -0.040 0.000 2.156 37 K HA 0.514 4.834 4.320 0.000 0.000 0.271 37 K C -0.499 176.069 176.600 -0.053 0.000 0.995 37 K CA -0.401 55.858 56.287 -0.045 0.000 0.890 37 K CB 1.906 34.380 32.500 -0.043 0.000 1.073 37 K HN 0.484 nan 8.250 nan 0.000 0.454 38 S N 0.783 116.444 115.700 -0.065 0.000 2.557 38 S HA 0.247 4.717 4.470 0.000 0.000 0.291 38 S C 0.098 174.647 174.600 -0.086 0.000 1.116 38 S CA -0.696 57.454 58.200 -0.083 0.000 0.992 38 S CB 1.047 64.181 63.200 -0.108 0.000 1.028 38 S HN 0.657 nan 8.310 nan 0.000 0.484 39 T N 0.255 114.772 114.554 -0.062 0.000 3.214 39 T HA 0.458 4.808 4.350 0.000 0.000 0.264 39 T C 0.096 174.824 174.700 0.047 0.000 1.012 39 T CA -0.063 62.050 62.100 0.022 0.000 0.901 39 T CB -0.594 68.268 68.868 -0.009 0.000 1.070 39 T HN 0.762 nan 8.240 nan 0.000 0.561 40 S N -0.870 114.750 115.700 -0.133 0.000 2.565 40 S HA 0.536 5.006 4.470 0.000 0.000 0.274 40 S C -0.125 174.253 174.600 -0.369 0.000 1.144 40 S CA -0.926 57.150 58.200 -0.207 0.000 0.849 40 S CB 0.152 63.297 63.200 -0.092 0.000 1.103 40 S HN -0.084 nan 8.310 nan 0.000 0.455 41 F N 1.482 121.220 119.950 -0.353 0.000 2.161 41 F HA -0.058 4.469 4.527 0.000 0.000 0.300 41 F C 2.319 177.419 175.800 -1.167 0.000 1.089 41 F CA 1.725 59.274 58.000 -0.752 0.000 1.282 41 F CB -0.321 38.200 39.000 -0.798 0.000 1.010 41 F HN 0.655 nan 8.300 nan 0.000 0.485 42 D N -0.051 120.050 120.400 -0.499 0.000 2.117 42 D HA -0.199 4.441 4.640 0.000 0.000 0.197 42 D C 1.794 178.022 176.300 -0.119 0.000 0.987 42 D CA 1.666 55.520 54.000 -0.243 0.000 0.829 42 D CB -0.385 40.406 40.800 -0.015 0.000 0.961 42 D HN 0.292 nan 8.370 nan 0.000 0.460 43 D N 0.329 120.648 120.400 -0.135 0.000 2.097 43 D HA -0.113 4.527 4.640 0.000 0.000 0.195 43 D C 2.182 178.434 176.300 -0.081 0.000 0.989 43 D CA 1.691 55.642 54.000 -0.082 0.000 0.827 43 D CB -0.459 40.289 40.800 -0.086 0.000 0.966 43 D HN 0.170 nan 8.370 nan 0.000 0.456 44 G N -0.723 107.977 108.800 -0.166 0.000 2.440 44 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 44 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 44 G C 1.399 176.320 174.900 0.036 0.000 1.154 44 G CA 0.763 45.796 45.100 -0.112 0.000 0.767 44 G HN 0.226 nan 8.290 nan 0.000 0.552 45 F N 1.950 121.912 119.950 0.021 0.000 2.065 45 F HA -0.045 4.482 4.527 0.000 0.000 0.298 45 F C 3.063 178.862 175.800 -0.001 0.000 1.112 45 F CA 0.455 58.461 58.000 0.010 0.000 1.212 45 F CB -1.234 37.778 39.000 0.020 0.000 0.975 45 F HN 0.275 nan 8.300 nan 0.000 0.476 46 A N 0.466 123.401 122.820 0.191 0.000 1.858 46 A HA -0.153 4.167 4.320 0.000 0.000 0.216 46 A C 2.336 179.957 177.584 0.063 0.000 1.190 46 A CA 1.755 53.854 52.037 0.104 0.000 0.617 46 A CB -1.229 17.812 19.000 0.068 0.000 0.827 46 A HN 0.343 nan 8.150 nan 0.000 0.443 47 I N -0.122 120.473 120.570 0.042 0.000 2.145 47 I HA -0.311 3.859 4.170 0.000 0.000 0.244 47 I C 2.175 178.312 176.117 0.032 0.000 1.075 47 I CA 1.433 62.747 61.300 0.024 0.000 1.332 47 I CB -0.333 37.669 38.000 0.003 0.000 1.033 47 I HN 0.287 nan 8.210 nan 0.000 0.410 48 L N -0.241 121.012 121.223 0.050 0.000 2.456 48 L HA -0.111 4.229 4.340 0.000 0.000 0.224 48 L C 2.191 179.086 176.870 0.041 0.000 1.148 48 L CA 0.641 55.508 54.840 0.045 0.000 0.825 48 L CB -0.415 41.676 42.059 0.053 0.000 0.937 48 L HN 0.201 nan 8.230 nan 0.000 0.450 49 S N -0.979 114.750 115.700 0.048 0.000 2.501 49 S HA 0.002 4.472 4.470 0.000 0.000 0.220 49 S C 1.148 175.764 174.600 0.028 0.000 0.997 49 S CA 0.203 58.424 58.200 0.035 0.000 0.919 49 S CB 0.074 63.298 63.200 0.039 0.000 0.778 49 S HN 0.555 nan 8.310 nan 0.000 0.523 50 S N 3.172 118.887 115.700 0.026 0.000 2.634 50 S HA 0.142 4.612 4.470 0.000 0.000 0.261 50 S C 0.488 175.100 174.600 0.020 0.000 1.271 50 S CA -0.479 57.733 58.200 0.019 0.000 0.985 50 S CB 0.113 63.322 63.200 0.015 0.000 0.968 50 S HN 0.390 nan 8.310 nan 0.000 0.568 51 N N -0.664 118.046 118.700 0.017 0.000 2.375 51 N HA 0.077 4.817 4.740 0.000 0.000 0.220 51 N C -0.379 175.144 175.510 0.023 0.000 1.170 51 N CA -0.267 52.796 53.050 0.021 0.000 0.833 51 N CB -0.479 38.018 38.487 0.016 0.000 1.069 51 N HN 0.711 nan 8.380 nan 0.000 0.479 52 E N 0.805 121.017 120.200 0.021 0.000 2.351 52 E HA 0.363 4.713 4.350 0.000 0.000 0.266 52 E C -0.719 175.899 176.600 0.031 0.000 1.031 52 E CA -0.264 56.148 56.400 0.021 0.000 0.911 52 E CB 0.483 30.191 29.700 0.013 0.000 0.986 52 E HN 0.408 nan 8.360 nan 0.000 0.446 53 A N 5.863 128.707 122.820 0.040 0.000 2.260 53 A HA 0.546 4.866 4.320 0.000 0.000 0.308 53 A C -0.175 177.443 177.584 0.056 0.000 1.254 53 A CA -0.681 51.393 52.037 0.063 0.000 0.874 53 A CB -0.184 18.864 19.000 0.080 0.000 1.153 53 A HN 0.694 nan 8.150 nan 0.000 0.527 54 I N -1.030 119.568 120.570 0.046 0.000 2.740 54 I HA 0.568 4.738 4.170 0.000 0.000 0.303 54 I C -0.609 175.502 176.117 -0.010 0.000 1.044 54 I CA -0.878 60.431 61.300 0.015 0.000 1.064 54 I CB 2.267 40.257 38.000 -0.016 0.000 1.249 54 I HN 0.426 nan 8.210 nan 0.000 0.433 55 D N 2.319 122.710 120.400 -0.016 0.000 2.366 55 D HA 0.150 4.790 4.640 0.000 0.000 0.205 55 D C -0.198 176.004 176.300 -0.164 0.000 1.022 55 D CA 0.676 54.651 54.000 -0.042 0.000 0.868 55 D CB 0.868 41.727 40.800 0.097 0.000 0.953 55 D HN 0.522 nan 8.370 nan 0.000 0.514 56 C N 1.137 120.368 119.300 -0.115 0.000 2.931 56 C HA 0.526 4.986 4.460 0.000 0.000 0.370 56 C C -1.744 173.216 174.990 -0.050 0.000 1.071 56 C CA -1.001 57.965 59.018 -0.087 0.000 1.266 56 C CB 0.459 28.126 27.740 -0.122 0.000 1.691 56 C HN 0.135 nan 8.230 nan 0.000 0.511 57 L N 6.709 127.937 121.223 0.008 0.000 2.296 57 L HA 0.826 5.166 4.340 0.000 0.000 0.286 57 L C -0.555 176.399 176.870 0.139 0.000 1.023 57 L CA -0.005 54.864 54.840 0.047 0.000 0.812 57 L CB 1.143 43.219 42.059 0.028 0.000 1.223 57 L HN 0.782 nan 8.230 nan 0.000 0.421 58 M N 6.529 126.198 119.600 0.114 0.000 2.395 58 M HA 0.541 5.021 4.480 0.000 0.000 0.307 58 M C -1.410 175.004 176.300 0.190 0.000 1.091 58 M CA -0.525 54.854 55.300 0.131 0.000 0.919 58 M CB 1.986 34.585 32.600 -0.002 0.000 1.662 58 M HN 0.605 nan 8.290 nan 0.000 0.440 59 F N 0.033 119.987 119.950 0.007 0.000 2.608 59 F HA 0.803 5.330 4.527 0.000 0.000 0.309 59 F C -0.516 175.313 175.800 0.047 0.000 1.103 59 F CA -1.063 56.918 58.000 -0.031 0.000 0.954 59 F CB 0.852 39.823 39.000 -0.049 0.000 1.267 59 F HN 0.596 nan 8.300 nan 0.000 0.444 60 S N 2.502 118.204 115.700 0.003 0.000 2.652 60 S HA 0.705 5.175 4.470 0.000 0.000 0.270 60 S C -1.521 173.242 174.600 0.271 0.000 1.243 60 S CA -0.369 57.850 58.200 0.033 0.000 0.999 60 S CB 1.586 64.807 63.200 0.035 0.000 0.973 60 S HN 1.056 nan 8.310 nan 0.000 0.544 61 Y N 0.760 121.124 120.300 0.107 0.000 2.275 61 Y HA 0.268 4.818 4.550 0.000 0.000 0.319 61 Y C 0.500 176.477 175.900 0.128 0.000 1.204 61 Y CA -1.267 56.962 58.100 0.215 0.000 1.136 61 Y CB 1.107 39.720 38.460 0.255 0.000 1.228 61 Y HN 0.991 nan 8.280 nan 0.000 0.413 62 Q N 5.405 125.384 119.800 0.299 0.000 2.123 62 Q HA 0.013 4.353 4.340 0.000 0.000 0.199 62 Q C 0.423 176.352 176.000 -0.119 0.000 0.966 62 Q CA 2.231 58.079 55.803 0.074 0.000 0.845 62 Q CB 0.068 28.873 28.738 0.112 0.000 0.907 62 Q HN 0.884 nan 8.270 nan 0.000 0.439 63 M N -1.016 118.399 119.600 -0.308 0.000 2.818 63 M HA -0.280 4.200 4.480 0.000 0.000 0.204 63 M C -0.014 176.210 176.300 -0.127 0.000 0.552 63 M CA 0.890 55.955 55.300 -0.392 0.000 0.687 63 M CB -1.720 30.613 32.600 -0.446 0.000 2.512 63 M HN 0.262 nan 8.290 nan 0.000 0.563 64 E N -0.458 119.643 120.200 -0.164 0.000 2.280 64 E HA 0.158 4.508 4.350 0.000 0.000 0.197 64 E C 0.753 177.319 176.600 -0.057 0.000 0.913 64 E CA -0.070 56.304 56.400 -0.042 0.000 0.995 64 E CB 0.357 30.064 29.700 0.012 0.000 0.991 64 E HN 0.467 nan 8.360 nan 0.000 0.484 65 H N 2.164 121.083 119.070 -0.251 0.000 2.580 65 H HA 0.087 4.643 4.556 0.000 0.000 0.322 65 H C -1.776 173.371 175.328 -0.301 0.000 1.082 65 H CA -2.278 53.653 56.048 -0.195 0.000 1.383 65 H CB 1.379 31.077 29.762 -0.107 0.000 1.450 65 H HN -0.021 nan 8.280 nan 0.000 0.505 66 P HA -0.158 nan 4.420 nan 0.000 0.218 66 P C 0.734 178.137 177.300 0.172 0.000 1.146 66 P CA 0.992 64.253 63.100 0.270 0.000 0.813 66 P CB 0.620 32.433 31.700 0.190 0.000 0.778 67 D N -0.155 120.383 120.400 0.230 0.000 2.117 67 D HA -0.144 4.496 4.640 0.000 0.000 0.198 67 D C 2.084 178.252 176.300 -0.221 0.000 0.982 67 D CA 0.956 54.954 54.000 -0.004 0.000 0.828 67 D CB -0.515 40.241 40.800 -0.073 0.000 0.967 67 D HN 0.314 nan 8.370 nan 0.000 0.464 68 E N -0.339 119.481 120.200 -0.633 0.000 2.051 68 E HA -0.196 4.154 4.350 0.000 0.000 0.192 68 E C 1.928 178.234 176.600 -0.489 0.000 0.991 68 E CA 0.794 56.688 56.400 -0.844 0.000 0.799 68 E CB 0.084 29.022 29.700 -1.270 0.000 0.748 68 E HN 0.423 nan 8.360 nan 0.000 0.449 69 H N 0.351 119.338 119.070 -0.138 0.000 2.352 69 H HA -0.170 4.386 4.556 0.000 0.000 0.299 69 H C 2.163 177.402 175.328 -0.148 0.000 1.097 69 H CA 1.720 57.753 56.048 -0.025 0.000 1.311 69 H CB -0.360 29.441 29.762 0.065 0.000 1.377 69 H HN 0.364 nan 8.280 nan 0.000 0.504 70 Q N 0.631 120.417 119.800 -0.023 0.000 2.050 70 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 70 Q C 1.895 177.794 176.000 -0.167 0.000 0.980 70 Q CA 1.328 57.090 55.803 -0.069 0.000 0.840 70 Q CB 0.143 28.862 28.738 -0.031 0.000 0.898 70 Q HN 0.301 nan 8.270 nan 0.000 0.424 71 N N -0.196 118.331 118.700 -0.289 0.000 2.104 71 N HA -0.146 4.594 4.740 0.000 0.000 0.190 71 N C 1.765 176.954 175.510 -0.536 0.000 1.024 71 N CA 1.303 54.131 53.050 -0.370 0.000 0.853 71 N CB -0.390 37.549 38.487 -0.913 0.000 1.008 71 N HN 0.098 nan 8.380 nan 0.000 0.424 72 V N 1.505 120.971 119.914 -0.747 0.000 2.261 72 V HA -0.205 3.915 4.120 0.000 0.000 0.246 72 V C 2.315 178.194 176.094 -0.358 0.000 1.047 72 V CA 1.548 63.460 62.300 -0.646 0.000 1.015 72 V CB -0.365 30.992 31.823 -0.776 0.000 0.642 72 V HN 0.295 nan 8.190 nan 0.000 0.446 73 R N -0.464 119.900 120.500 -0.227 0.000 2.105 73 R HA -0.224 4.116 4.340 0.000 0.000 0.239 73 R C 2.399 178.612 176.300 -0.146 0.000 1.135 73 R CA 1.773 57.789 56.100 -0.139 0.000 0.967 73 R CB -0.342 29.909 30.300 -0.082 0.000 0.861 73 R HN 0.615 nan 8.270 nan 0.000 0.442 74 Q N 0.320 120.020 119.800 -0.166 0.000 2.046 74 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 74 Q C 2.179 178.073 176.000 -0.177 0.000 0.975 74 Q CA 1.105 56.757 55.803 -0.252 0.000 0.836 74 Q CB -0.115 28.345 28.738 -0.464 0.000 0.896 74 Q HN 0.181 nan 8.270 nan 0.000 0.428 75 L N 0.678 121.962 121.223 0.102 0.000 1.970 75 L HA -0.203 4.137 4.340 0.000 0.000 0.212 75 L C 2.008 178.839 176.870 -0.065 0.000 1.071 75 L CA 1.738 56.701 54.840 0.205 0.000 0.751 75 L CB -0.295 41.904 42.059 0.234 0.000 0.889 75 L HN 0.204 nan 8.230 nan 0.000 0.432 76 I N -0.667 119.791 120.570 -0.187 0.000 2.315 76 I HA -0.186 3.984 4.170 0.000 0.000 0.248 76 I C 2.495 178.468 176.117 -0.240 0.000 1.117 76 I CA 1.148 62.281 61.300 -0.279 0.000 1.404 76 I CB -1.128 36.714 38.000 -0.264 0.000 1.071 76 I HN 0.430 nan 8.210 nan 0.000 0.419 77 G N 0.970 109.690 108.800 -0.132 0.000 2.440 77 G HA2 -0.329 3.632 3.960 0.000 0.000 0.218 77 G HA3 -0.329 3.632 3.960 0.000 0.000 0.218 77 G C 1.674 176.534 174.900 -0.066 0.000 1.154 77 G CA 1.061 46.119 45.100 -0.070 0.000 0.767 77 G HN 0.189 nan 8.290 nan 0.000 0.552 78 K N 0.143 120.486 120.400 -0.096 0.000 1.985 78 K HA -0.009 4.311 4.320 0.000 0.000 0.210 78 K C 2.370 178.944 176.600 -0.042 0.000 1.047 78 K CA 1.047 57.295 56.287 -0.066 0.000 0.932 78 K CB -0.900 31.565 32.500 -0.059 0.000 0.716 78 K HN 0.200 nan 8.250 nan 0.000 0.439 79 L N 0.914 122.083 121.223 -0.091 0.000 2.054 79 L HA -0.274 4.066 4.340 0.000 0.000 0.220 79 L C 1.657 178.529 176.870 0.002 0.000 1.081 79 L CA 2.188 56.965 54.840 -0.104 0.000 0.780 79 L CB -0.687 41.208 42.059 -0.274 0.000 0.893 79 L HN 0.475 nan 8.230 nan 0.000 0.438 80 H N -1.656 117.411 119.070 -0.005 0.000 2.547 80 H HA 0.027 4.583 4.556 0.000 0.000 0.266 80 H C 1.784 177.115 175.328 0.006 0.000 0.988 80 H CA 0.255 56.305 56.048 0.003 0.000 1.147 80 H CB 0.307 30.070 29.762 0.001 0.000 1.365 80 H HN 0.550 nan 8.280 nan 0.000 0.589 81 E N 1.030 121.292 120.200 0.103 0.000 2.017 81 E HA -0.131 4.219 4.350 0.000 0.000 0.193 81 E C 1.601 178.235 176.600 0.057 0.000 0.997 81 E CA 1.031 57.466 56.400 0.058 0.000 0.804 81 E CB 0.174 29.888 29.700 0.024 0.000 0.757 81 E HN 0.406 nan 8.360 nan 0.000 0.448 82 R N -0.566 119.971 120.500 0.062 0.000 2.437 82 R HA 0.163 4.503 4.340 0.000 0.000 0.257 82 R C 0.302 176.658 176.300 0.093 0.000 0.927 82 R CA 0.073 56.209 56.100 0.060 0.000 1.078 82 R CB 0.795 31.120 30.300 0.043 0.000 1.161 82 R HN 0.072 nan 8.270 nan 0.000 0.529 83 Q N 0.583 120.457 119.800 0.124 0.000 2.506 83 Q HA 0.095 4.435 4.340 0.000 0.000 0.380 83 Q C 0.273 176.412 176.000 0.232 0.000 0.867 83 Q CA -0.122 55.780 55.803 0.164 0.000 1.093 83 Q CB 1.535 30.340 28.738 0.112 0.000 1.388 83 Q HN 0.179 nan 8.270 nan 0.000 0.400 84 Q N 1.183 121.086 119.800 0.172 0.000 2.152 84 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 84 Q C 0.475 176.411 176.000 -0.106 0.000 0.985 84 Q CA 1.950 57.777 55.803 0.040 0.000 0.863 84 Q CB 0.187 28.929 28.738 0.006 0.000 0.904 84 Q HN 0.491 nan 8.270 nan 0.000 0.422 85 N N -1.049 117.722 118.700 0.118 0.000 2.230 85 N HA 0.132 4.872 4.740 0.000 0.000 0.202 85 N C -1.050 174.506 175.510 0.076 0.000 1.119 85 N CA -0.342 52.789 53.050 0.134 0.000 0.851 85 N CB 1.158 39.805 38.487 0.267 0.000 0.990 85 N HN -0.075 nan 8.380 nan 0.000 0.497 86 V N 3.851 123.696 119.914 -0.116 0.000 2.509 86 V HA 0.036 4.156 4.120 0.000 0.000 0.297 86 V C -1.811 174.240 176.094 -0.071 0.000 1.014 86 V CA -0.997 61.029 62.300 -0.455 0.000 1.127 86 V CB 0.027 31.662 31.823 -0.314 0.000 0.925 86 V HN 0.128 nan 8.190 nan 0.000 0.480 87 P HA 0.127 nan 4.420 nan 0.000 0.268 87 P C -0.685 176.710 177.300 0.159 0.000 1.204 87 P CA 0.076 63.228 63.100 0.086 0.000 0.768 87 P CB 0.835 32.637 31.700 0.170 0.000 0.842 88 V N 4.943 124.941 119.914 0.141 0.000 2.384 88 V HA 0.330 4.450 4.120 0.000 0.000 0.287 88 V C -0.113 176.036 176.094 0.090 0.000 1.020 88 V CA -0.313 62.087 62.300 0.167 0.000 0.850 88 V CB 0.528 32.431 31.823 0.133 0.000 0.987 88 V HN 0.334 nan 8.190 nan 0.000 0.436 89 F N 4.910 124.833 119.950 -0.046 0.000 2.426 89 F HA 0.555 5.082 4.527 0.000 0.000 0.348 89 F C -0.123 175.519 175.800 -0.264 0.000 1.124 89 F CA -0.828 57.074 58.000 -0.163 0.000 1.008 89 F CB 1.796 40.722 39.000 -0.124 0.000 1.139 89 F HN 0.342 nan 8.300 nan 0.000 0.452 90 L N 5.760 126.782 121.223 -0.336 0.000 2.278 90 L HA 0.390 4.730 4.340 0.000 0.000 0.287 90 L C -0.761 175.964 176.870 -0.241 0.000 1.072 90 L CA -0.039 54.486 54.840 -0.526 0.000 0.819 90 L CB 0.231 42.045 42.059 -0.408 0.000 1.176 90 L HN 0.494 nan 8.230 nan 0.000 0.435 91 L N 7.001 128.081 121.223 -0.238 0.000 2.399 91 L HA 0.417 4.757 4.340 0.000 0.000 0.257 91 L C 0.807 177.709 176.870 0.053 0.000 1.236 91 L CA -0.213 54.605 54.840 -0.037 0.000 1.144 91 L CB -0.588 41.448 42.059 -0.038 0.000 1.379 91 L HN 0.840 nan 8.230 nan 0.000 0.414 92 G N 0.637 109.569 108.800 0.221 0.000 2.932 92 G HA2 0.326 4.286 3.960 0.000 0.000 0.283 92 G HA3 0.326 4.286 3.960 0.000 0.000 0.283 92 G C -1.495 173.628 174.900 0.372 0.000 1.336 92 G CA -0.433 44.858 45.100 0.320 0.000 1.056 92 G HN 0.391 nan 8.290 nan 0.000 0.522 93 D N -1.468 119.047 120.400 0.191 0.000 2.232 93 D HA 0.253 4.893 4.640 0.000 0.000 0.242 93 D C 1.452 177.575 176.300 -0.295 0.000 1.093 93 D CA -0.587 53.419 54.000 0.011 0.000 0.845 93 D CB 1.451 42.245 40.800 -0.009 0.000 1.124 93 D HN 0.351 nan 8.370 nan 0.000 0.467 94 R N 3.026 123.092 120.500 -0.724 0.000 2.080 94 R HA -0.185 4.155 4.340 0.000 0.000 0.236 94 R C 1.319 177.164 176.300 -0.759 0.000 1.137 94 R CA 1.710 56.885 56.100 -1.541 0.000 0.943 94 R CB 0.005 29.345 30.300 -1.601 0.000 0.846 94 R HN 0.624 nan 8.270 nan 0.000 0.431 95 E N 0.214 120.151 120.200 -0.438 0.000 2.038 95 E HA -0.205 4.145 4.350 0.000 0.000 0.195 95 E C 2.128 178.611 176.600 -0.195 0.000 1.000 95 E CA 1.866 58.110 56.400 -0.260 0.000 0.803 95 E CB 0.048 29.645 29.700 -0.171 0.000 0.750 95 E HN 0.351 nan 8.360 nan 0.000 0.448 96 K N 0.267 120.569 120.400 -0.162 0.000 2.057 96 K HA -0.117 4.203 4.320 0.000 0.000 0.207 96 K C 2.203 178.744 176.600 -0.097 0.000 1.049 96 K CA 1.140 57.360 56.287 -0.111 0.000 0.931 96 K CB -0.153 32.290 32.500 -0.095 0.000 0.714 96 K HN 0.067 nan 8.250 nan 0.000 0.440 97 A N 1.411 124.174 122.820 -0.094 0.000 1.930 97 A HA -0.091 4.229 4.320 0.000 0.000 0.217 97 A C 2.103 179.679 177.584 -0.012 0.000 1.175 97 A CA 1.118 53.178 52.037 0.040 0.000 0.627 97 A CB -0.507 18.668 19.000 0.292 0.000 0.815 97 A HN 0.139 nan 8.150 nan 0.000 0.443 98 L N -0.976 120.170 121.223 -0.128 0.000 2.109 98 L HA -0.128 4.212 4.340 0.000 0.000 0.207 98 L C 3.046 179.868 176.870 -0.080 0.000 1.086 98 L CA 0.941 55.710 54.840 -0.119 0.000 0.760 98 L CB -0.617 41.342 42.059 -0.167 0.000 0.910 98 L HN 0.447 nan 8.230 nan 0.000 0.437 99 A N 0.151 122.924 122.820 -0.079 0.000 2.024 99 A HA -0.116 4.204 4.320 0.000 0.000 0.220 99 A C 2.288 179.850 177.584 -0.036 0.000 1.164 99 A CA 1.735 53.739 52.037 -0.056 0.000 0.643 99 A CB -0.406 18.558 19.000 -0.059 0.000 0.806 99 A HN 0.409 nan 8.150 nan 0.000 0.451 100 A N -1.698 121.108 122.820 -0.023 0.000 2.267 100 A HA 0.443 4.763 4.320 0.000 0.000 0.213 100 A C 0.994 178.595 177.584 0.029 0.000 1.192 100 A CA 0.319 52.356 52.037 0.001 0.000 0.851 100 A CB -0.444 18.565 19.000 0.014 0.000 0.881 100 A HN 0.519 nan 8.150 nan 0.000 0.494 101 M N 2.431 122.039 119.600 0.015 0.000 2.327 101 M HA 0.302 4.783 4.480 0.000 0.000 0.353 101 M C -0.603 175.712 176.300 0.024 0.000 1.539 101 M CA 0.169 55.481 55.300 0.020 0.000 1.039 101 M CB -0.463 32.114 32.600 -0.038 0.000 1.967 101 M HN 0.532 nan 8.290 nan 0.000 0.459 102 D N 2.873 123.304 120.400 0.052 0.000 2.792 102 D HA 0.274 4.914 4.640 0.000 0.000 0.335 102 D C 0.008 176.345 176.300 0.061 0.000 1.353 102 D CA -0.674 53.351 54.000 0.041 0.000 0.839 102 D CB 0.411 41.227 40.800 0.027 0.000 1.396 102 D HN 0.535 nan 8.370 nan 0.000 0.479 103 R N -0.388 120.140 120.500 0.048 0.000 2.103 103 R HA -0.112 4.228 4.340 0.000 0.000 0.242 103 R C 0.868 177.208 176.300 0.067 0.000 1.142 103 R CA 1.958 58.090 56.100 0.053 0.000 0.960 103 R CB -0.476 29.845 30.300 0.036 0.000 0.858 103 R HN 0.500 nan 8.270 nan 0.000 0.439 104 D N 0.796 121.233 120.400 0.062 0.000 2.117 104 D HA -0.156 4.484 4.640 0.000 0.000 0.197 104 D C 1.908 178.273 176.300 0.108 0.000 0.987 104 D CA 0.885 54.926 54.000 0.069 0.000 0.829 104 D CB -0.210 40.620 40.800 0.049 0.000 0.961 104 D HN 0.070 nan 8.370 nan 0.000 0.460 105 L N 0.664 121.970 121.223 0.139 0.000 2.083 105 L HA -0.098 4.242 4.340 0.000 0.000 0.209 105 L C 2.190 179.201 176.870 0.235 0.000 1.083 105 L CA 1.267 56.239 54.840 0.219 0.000 0.752 105 L CB -0.315 41.900 42.059 0.260 0.000 0.899 105 L HN -0.011 nan 8.230 nan 0.000 0.433 106 L N -1.128 120.214 121.223 0.197 0.000 2.313 106 L HA -0.088 4.252 4.340 0.000 0.000 0.214 106 L C 2.277 179.222 176.870 0.125 0.000 1.119 106 L CA 0.531 55.484 54.840 0.189 0.000 0.809 106 L CB -0.380 41.771 42.059 0.154 0.000 0.933 106 L HN 0.254 nan 8.230 nan 0.000 0.449 107 E N 0.447 120.711 120.200 0.107 0.000 2.285 107 E HA -0.097 4.253 4.350 0.000 0.000 0.194 107 E C 2.053 178.717 176.600 0.106 0.000 0.997 107 E CA 0.852 57.304 56.400 0.086 0.000 0.845 107 E CB 0.109 29.851 29.700 0.069 0.000 0.782 107 E HN 0.398 nan 8.360 nan 0.000 0.491 108 L N -1.020 120.274 121.223 0.118 0.000 2.253 108 L HA 0.169 4.509 4.340 0.000 0.000 0.205 108 L C 0.084 177.025 176.870 0.118 0.000 1.078 108 L CA 0.071 54.982 54.840 0.117 0.000 0.805 108 L CB 0.564 42.693 42.059 0.116 0.000 0.963 108 L HN -0.150 nan 8.230 nan 0.000 0.459 109 V N 0.309 120.276 119.914 0.089 0.000 2.384 109 V HA 0.144 4.264 4.120 0.000 0.000 0.287 109 V C 0.093 176.095 176.094 -0.154 0.000 1.020 109 V CA -0.505 61.753 62.300 -0.069 0.000 0.850 109 V CB 1.643 33.306 31.823 -0.267 0.000 0.987 109 V HN 0.148 nan 8.190 nan 0.000 0.436 110 D N 2.146 122.429 120.400 -0.195 0.000 2.162 110 D HA 0.061 4.701 4.640 0.000 0.000 0.205 110 D C 0.435 176.492 176.300 -0.404 0.000 0.964 110 D CA 0.887 54.762 54.000 -0.208 0.000 0.847 110 D CB 0.792 41.511 40.800 -0.136 0.000 0.988 110 D HN 0.503 nan 8.370 nan 0.000 0.480 111 E N -0.092 119.652 120.200 -0.759 0.000 2.314 111 E HA 0.349 4.699 4.350 0.000 0.000 0.272 111 E C -1.127 174.882 176.600 -0.985 0.000 0.884 111 E CA -0.589 55.249 56.400 -0.937 0.000 0.753 111 E CB 2.080 30.685 29.700 -1.825 0.000 1.213 111 E HN -0.093 nan 8.360 nan 0.000 0.432 112 F N 0.862 120.501 119.950 -0.519 0.000 2.436 112 F HA 0.610 5.137 4.527 0.000 0.000 0.340 112 F C 0.318 175.698 175.800 -0.700 0.000 1.113 112 F CA -0.733 56.900 58.000 -0.613 0.000 1.022 112 F CB 1.866 40.390 39.000 -0.792 0.000 1.128 112 F HN 0.385 nan 8.300 nan 0.000 0.466 113 A N 3.460 126.032 122.820 -0.413 0.000 2.353 113 A HA 0.485 4.805 4.320 0.000 0.000 0.299 113 A C -1.674 175.893 177.584 -0.029 0.000 1.089 113 A CA -0.635 51.264 52.037 -0.230 0.000 0.736 113 A CB 0.353 19.380 19.000 0.044 0.000 1.195 113 A HN 0.927 nan 8.150 nan 0.000 0.447 114 W N 4.045 125.425 121.300 0.132 0.000 2.072 114 W HA 0.271 4.931 4.660 0.000 0.000 0.413 114 W C 1.046 177.620 176.519 0.091 0.000 0.865 114 W CA -0.691 56.717 57.345 0.105 0.000 1.579 114 W CB 0.460 29.974 29.460 0.091 0.000 1.720 114 W HN 0.771 nan 8.180 nan 0.000 0.301 115 I N 2.323 123.073 120.570 0.300 0.000 2.300 115 I HA -0.302 3.868 4.170 0.000 0.000 0.252 115 I C 1.662 177.883 176.117 0.173 0.000 1.119 115 I CA 1.892 63.303 61.300 0.185 0.000 1.384 115 I CB -0.017 38.065 38.000 0.136 0.000 1.062 115 I HN 0.410 nan 8.210 nan 0.000 0.426 116 L N -0.785 120.558 121.223 0.200 0.000 2.592 116 L HA 0.099 4.439 4.340 0.000 0.000 0.227 116 L C 1.330 178.285 176.870 0.141 0.000 1.127 116 L CA 0.341 55.285 54.840 0.172 0.000 0.884 116 L CB -0.260 41.915 42.059 0.192 0.000 1.065 116 L HN 0.254 nan 8.230 nan 0.000 0.457 117 E N -1.450 118.856 120.200 0.176 0.000 2.641 117 E HA 0.070 4.420 4.350 0.000 0.000 0.224 117 E C -0.345 176.355 176.600 0.166 0.000 0.951 117 E CA -0.152 56.344 56.400 0.160 0.000 1.102 117 E CB 1.084 30.897 29.700 0.189 0.000 1.091 117 E HN 0.130 nan 8.360 nan 0.000 0.507 118 D N -0.103 120.392 120.400 0.158 0.000 2.414 118 D HA 0.249 4.889 4.640 0.000 0.000 0.241 118 D C -0.739 175.572 176.300 0.018 0.000 1.008 118 D CA -0.487 53.598 54.000 0.142 0.000 1.001 118 D CB 1.851 42.764 40.800 0.188 0.000 1.277 118 D HN -0.276 nan 8.370 nan 0.000 0.538 119 T N 1.046 115.529 114.554 -0.119 0.000 2.780 119 T HA 0.459 4.809 4.350 0.000 0.000 0.294 119 T C 1.175 175.735 174.700 -0.234 0.000 0.949 119 T CA -0.086 61.786 62.100 -0.380 0.000 1.074 119 T CB 1.418 69.623 68.868 -1.105 0.000 0.910 119 T HN 0.412 nan 8.240 nan 0.000 0.501 120 A N 3.398 126.131 122.820 -0.146 0.000 1.892 120 A HA -0.161 4.159 4.320 0.000 0.000 0.218 120 A C 2.077 179.633 177.584 -0.046 0.000 1.188 120 A CA 1.662 53.661 52.037 -0.064 0.000 0.631 120 A CB -0.503 18.464 19.000 -0.054 0.000 0.822 120 A HN 0.785 nan 8.150 nan 0.000 0.447 121 D N -0.770 119.575 120.400 -0.092 0.000 2.158 121 D HA -0.155 4.485 4.640 0.000 0.000 0.197 121 D C 1.623 178.025 176.300 0.170 0.000 0.995 121 D CA 1.179 55.177 54.000 -0.003 0.000 0.846 121 D CB -0.382 40.397 40.800 -0.035 0.000 0.941 121 D HN 0.441 nan 8.370 nan 0.000 0.456 122 F N 0.695 120.653 119.950 0.013 0.000 2.146 122 F HA -0.008 4.519 4.527 0.000 0.000 0.298 122 F C 2.482 178.295 175.800 0.021 0.000 1.096 122 F CA 0.057 58.069 58.000 0.019 0.000 1.275 122 F CB -1.089 37.927 39.000 0.027 0.000 1.008 122 F HN -0.018 nan 8.300 nan 0.000 0.480 123 I N -0.026 120.670 120.570 0.211 0.000 2.179 123 I HA -0.282 3.888 4.170 0.000 0.000 0.242 123 I C 2.659 178.784 176.117 0.014 0.000 1.088 123 I CA 1.205 62.573 61.300 0.114 0.000 1.357 123 I CB -0.895 37.148 38.000 0.073 0.000 1.051 123 I HN 0.047 nan 8.210 nan 0.000 0.409 124 A N 1.218 124.038 122.820 -0.000 0.000 1.892 124 A HA -0.197 4.123 4.320 0.000 0.000 0.218 124 A C 2.460 180.031 177.584 -0.022 0.000 1.188 124 A CA 2.215 54.227 52.037 -0.043 0.000 0.631 124 A CB -1.587 17.401 19.000 -0.020 0.000 0.822 124 A HN 0.476 nan 8.150 nan 0.000 0.447 125 G N -1.002 107.824 108.800 0.045 0.000 2.422 125 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 125 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 125 G C 1.761 176.690 174.900 0.049 0.000 1.146 125 G CA 0.849 45.981 45.100 0.052 0.000 0.769 125 G HN 0.545 nan 8.290 nan 0.000 0.547 126 R N 0.343 120.890 120.500 0.078 0.000 2.090 126 R HA 0.087 4.427 4.340 0.000 0.000 0.228 126 R C 3.017 179.401 176.300 0.140 0.000 1.110 126 R CA 0.996 57.187 56.100 0.152 0.000 0.973 126 R CB -0.349 30.109 30.300 0.263 0.000 0.869 126 R HN 0.359 nan 8.270 nan 0.000 0.440 127 A N 0.869 123.605 122.820 -0.140 0.000 1.873 127 A HA -0.102 4.218 4.320 0.000 0.000 0.215 127 A C 2.352 179.859 177.584 -0.127 0.000 1.186 127 A CA 1.249 53.035 52.037 -0.418 0.000 0.616 127 A CB -0.622 18.006 19.000 -0.620 0.000 0.823 127 A HN 0.092 nan 8.150 nan 0.000 0.442 128 V N -0.077 119.795 119.914 -0.070 0.000 2.380 128 V HA -0.297 3.823 4.120 0.000 0.000 0.251 128 V C 2.974 179.084 176.094 0.026 0.000 1.063 128 V CA 2.069 64.359 62.300 -0.017 0.000 1.055 128 V CB -1.115 30.704 31.823 -0.007 0.000 0.657 128 V HN 0.632 nan 8.190 nan 0.000 0.455 129 A N -0.453 122.395 122.820 0.048 0.000 1.930 129 A HA 0.072 4.392 4.320 0.000 0.000 0.215 129 A C 2.395 180.036 177.584 0.095 0.000 1.176 129 A CA 1.572 53.648 52.037 0.066 0.000 0.632 129 A CB -0.585 18.455 19.000 0.067 0.000 0.819 129 A HN 0.542 nan 8.150 nan 0.000 0.445 130 A N -0.415 122.488 122.820 0.139 0.000 1.930 130 A HA -0.080 4.240 4.320 0.000 0.000 0.217 130 A C 2.231 179.916 177.584 0.168 0.000 1.175 130 A CA 1.691 53.839 52.037 0.183 0.000 0.627 130 A CB -0.513 18.688 19.000 0.334 0.000 0.815 130 A HN 0.511 nan 8.150 nan 0.000 0.443 131 M N -1.035 118.639 119.600 0.122 0.000 2.175 131 M HA -0.106 4.374 4.480 0.000 0.000 0.264 131 M C 2.206 178.601 176.300 0.158 0.000 1.063 131 M CA 1.771 57.156 55.300 0.141 0.000 1.119 131 M CB -0.582 32.057 32.600 0.064 0.000 1.377 131 M HN 0.418 nan 8.290 nan 0.000 0.415 132 T N -0.007 114.606 114.554 0.098 0.000 2.737 132 T HA -0.160 4.190 4.350 0.000 0.000 0.265 132 T C 1.753 176.492 174.700 0.065 0.000 1.038 132 T CA 1.459 63.599 62.100 0.066 0.000 1.144 132 T CB -0.322 68.571 68.868 0.043 0.000 0.866 132 T HN 0.399 nan 8.240 nan 0.000 0.434 133 R N -0.246 120.304 120.500 0.084 0.000 2.091 133 R HA -0.175 4.165 4.340 0.000 0.000 0.238 133 R C 2.319 178.674 176.300 0.090 0.000 1.136 133 R CA 1.586 57.731 56.100 0.074 0.000 0.959 133 R CB -0.556 29.796 30.300 0.088 0.000 0.856 133 R HN 0.508 nan 8.270 nan 0.000 0.437 134 Y N 0.823 121.140 120.300 0.027 0.000 2.163 134 Y HA -0.089 4.461 4.550 0.000 0.000 0.288 134 Y C 2.325 178.235 175.900 0.018 0.000 1.136 134 Y CA 1.583 59.699 58.100 0.028 0.000 1.147 134 Y CB -0.184 38.303 38.460 0.046 0.000 0.987 134 Y HN -0.046 nan 8.280 nan 0.000 0.509 135 R N 0.176 120.612 120.500 -0.107 0.000 2.189 135 R HA -0.134 4.206 4.340 0.000 0.000 0.223 135 R C 2.045 178.243 176.300 -0.171 0.000 1.092 135 R CA 1.393 57.375 56.100 -0.197 0.000 0.989 135 R CB -0.091 30.191 30.300 -0.030 0.000 0.876 135 R HN 0.562 nan 8.270 nan 0.000 0.457 136 Q N -0.222 119.512 119.800 -0.109 0.000 2.369 136 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 136 Q C 1.304 177.232 176.000 -0.120 0.000 0.963 136 Q CA 1.214 56.961 55.803 -0.094 0.000 0.894 136 Q CB 0.279 28.987 28.738 -0.051 0.000 0.965 136 Q HN 0.387 nan 8.270 nan 0.000 0.475 137 Q N -0.792 118.913 119.800 -0.159 0.000 2.247 137 Q HA 0.053 4.393 4.340 0.000 0.000 0.211 137 Q C 1.406 177.286 176.000 -0.199 0.000 0.861 137 Q CA 0.082 55.793 55.803 -0.153 0.000 0.949 137 Q CB -0.031 28.645 28.738 -0.103 0.000 1.115 137 Q HN 0.163 nan 8.270 nan 0.000 0.507 138 L N 0.256 121.318 121.223 -0.270 0.000 2.005 138 L HA 0.186 4.526 4.340 0.000 0.000 0.207 138 L C 0.394 177.190 176.870 -0.123 0.000 1.072 138 L CA 1.405 56.078 54.840 -0.278 0.000 0.744 138 L CB -0.126 41.719 42.059 -0.356 0.000 0.895 138 L HN 0.322 nan 8.230 nan 0.000 0.433 139 L N 1.318 122.486 121.223 -0.092 0.000 2.395 139 L HA 0.295 4.635 4.340 0.000 0.000 0.269 139 L C -1.862 174.993 176.870 -0.026 0.000 1.133 139 L CA -2.023 52.818 54.840 0.001 0.000 0.812 139 L CB -0.098 41.953 42.059 -0.013 0.000 1.125 139 L HN 0.106 nan 8.230 nan 0.000 0.452 140 P HA 0.143 nan 4.420 nan 0.000 0.274 140 P C -2.282 174.993 177.300 -0.040 0.000 1.246 140 P CA -1.476 61.615 63.100 -0.015 0.000 0.795 140 P CB 0.157 31.969 31.700 0.187 0.000 1.006 141 P HA -0.115 nan 4.420 nan 0.000 0.218 141 P C 1.543 178.779 177.300 -0.108 0.000 1.149 141 P CA 0.903 63.930 63.100 -0.121 0.000 0.817 141 P CB 0.088 31.707 31.700 -0.135 0.000 0.785 142 L N -1.057 120.125 121.223 -0.068 0.000 2.068 142 L HA 0.041 4.381 4.340 0.000 0.000 0.204 142 L C 2.451 179.282 176.870 -0.065 0.000 1.076 142 L CA 1.467 56.209 54.840 -0.162 0.000 0.753 142 L CB -1.794 40.137 42.059 -0.213 0.000 0.910 142 L HN -0.205 nan 8.230 nan 0.000 0.439 143 F N -0.362 119.528 119.950 -0.100 0.000 2.126 143 F HA -0.192 4.335 4.527 0.000 0.000 0.299 143 F C 2.730 178.494 175.800 -0.060 0.000 1.096 143 F CA 1.629 59.591 58.000 -0.063 0.000 1.255 143 F CB -0.909 38.079 39.000 -0.020 0.000 0.997 143 F HN 0.215 nan 8.300 nan 0.000 0.479 144 S N 0.101 115.636 115.700 -0.276 0.000 2.353 144 S HA -0.204 4.266 4.470 0.000 0.000 0.222 144 S C 2.378 176.822 174.600 -0.259 0.000 1.035 144 S CA 1.528 59.520 58.200 -0.346 0.000 1.025 144 S CB -0.948 62.129 63.200 -0.204 0.000 0.902 144 S HN 0.553 nan 8.310 nan 0.000 0.440 145 A N 1.325 124.033 122.820 -0.187 0.000 1.908 145 A HA 0.001 4.321 4.320 0.000 0.000 0.218 145 A C 2.258 179.785 177.584 -0.094 0.000 1.181 145 A CA 1.509 53.458 52.037 -0.147 0.000 0.627 145 A CB -0.840 18.048 19.000 -0.187 0.000 0.818 145 A HN 0.578 nan 8.150 nan 0.000 0.445 146 L N -1.402 119.755 121.223 -0.111 0.000 2.017 146 L HA -0.221 4.119 4.340 0.000 0.000 0.208 146 L C 2.864 179.742 176.870 0.013 0.000 1.073 146 L CA 1.885 56.723 54.840 -0.003 0.000 0.745 146 L CB -0.420 41.673 42.059 0.056 0.000 0.894 146 L HN 0.569 nan 8.230 nan 0.000 0.432 147 M N -0.040 119.478 119.600 -0.138 0.000 2.065 147 M HA -0.280 4.200 4.480 0.000 0.000 0.259 147 M C 2.337 178.599 176.300 -0.063 0.000 1.071 147 M CA 1.944 57.151 55.300 -0.155 0.000 1.109 147 M CB -0.088 32.252 32.600 -0.434 0.000 1.313 147 M HN 0.065 nan 8.290 nan 0.000 0.408 148 K N -0.845 119.512 120.400 -0.073 0.000 2.044 148 K HA -0.247 4.073 4.320 0.000 0.000 0.210 148 K C 1.913 178.553 176.600 0.068 0.000 1.049 148 K CA 2.020 58.300 56.287 -0.011 0.000 0.927 148 K CB -0.543 31.945 32.500 -0.020 0.000 0.713 148 K HN 0.381 nan 8.250 nan 0.000 0.443 149 Y N 1.520 121.796 120.300 -0.041 0.000 2.293 149 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 149 Y C 2.435 178.351 175.900 0.026 0.000 1.137 149 Y CA 1.331 59.422 58.100 -0.016 0.000 1.202 149 Y CB -0.324 38.109 38.460 -0.044 0.000 0.990 149 Y HN 0.109 nan 8.280 nan 0.000 0.537 150 S N -1.099 114.577 115.700 -0.041 0.000 2.474 150 S HA -0.126 4.344 4.470 0.000 0.000 0.235 150 S C 1.524 176.162 174.600 0.063 0.000 0.997 150 S CA 1.262 59.476 58.200 0.023 0.000 0.949 150 S CB -0.336 62.977 63.200 0.190 0.000 0.766 150 S HN 0.418 nan 8.310 nan 0.000 0.517 151 D N 2.137 122.545 120.400 0.015 0.000 2.149 151 D HA 0.039 4.679 4.640 0.000 0.000 0.201 151 D C 1.913 178.211 176.300 -0.003 0.000 0.972 151 D CA 1.447 55.464 54.000 0.028 0.000 0.835 151 D CB -0.222 40.589 40.800 0.018 0.000 0.966 151 D HN 0.761 nan 8.370 nan 0.000 0.476 152 I N -1.654 118.877 120.570 -0.066 0.000 3.462 152 I HA 0.123 4.293 4.170 0.000 0.000 0.290 152 I C 0.710 176.731 176.117 -0.161 0.000 1.236 152 I CA -0.208 61.050 61.300 -0.071 0.000 1.418 152 I CB -0.261 37.731 38.000 -0.014 0.000 1.102 152 I HN -0.211 nan 8.210 nan 0.000 0.441 153 H N 3.262 122.049 119.070 -0.472 0.000 2.886 153 H HA 0.161 4.717 4.556 0.000 0.000 0.329 153 H C -0.028 174.973 175.328 -0.544 0.000 1.044 153 H CA 0.039 55.669 56.048 -0.696 0.000 1.456 153 H CB 0.588 29.648 29.762 -1.169 0.000 1.464 153 H HN 0.255 nan 8.280 nan 0.000 0.573 154 E N 4.482 124.123 120.200 -0.933 0.000 2.104 154 E HA 0.011 4.361 4.350 0.000 0.000 0.278 154 E C -0.521 175.476 176.600 -1.005 0.000 1.127 154 E CA 0.094 56.070 56.400 -0.706 0.000 0.897 154 E CB -0.268 29.247 29.700 -0.308 0.000 1.043 154 E HN 0.683 nan 8.360 nan 0.000 0.410 155 Y N 1.776 121.782 120.300 -0.491 0.000 2.616 155 Y HA 0.050 4.600 4.550 0.000 0.000 0.296 155 Y C 0.823 176.533 175.900 -0.317 0.000 1.154 155 Y CA 0.315 58.247 58.100 -0.281 0.000 1.325 155 Y CB 0.355 38.755 38.460 -0.100 0.000 1.007 155 Y HN 0.248 nan 8.280 nan 0.000 0.542 156 S N -1.987 113.481 115.700 -0.386 0.000 2.707 156 S HA 0.153 4.623 4.470 0.000 0.000 0.276 156 S C -0.198 174.005 174.600 -0.661 0.000 1.179 156 S CA -0.368 57.355 58.200 -0.794 0.000 0.992 156 S CB 0.391 62.730 63.200 -1.435 0.000 1.030 156 S HN 0.612 nan 8.310 nan 0.000 0.554 157 W N -1.517 119.776 121.300 -0.012 0.000 2.339 157 W HA -0.280 4.380 4.660 0.000 0.000 0.256 157 W C 0.299 176.820 176.519 0.002 0.000 1.007 157 W CA 0.313 57.653 57.345 -0.008 0.000 0.496 157 W CB -1.885 27.568 29.460 -0.013 0.000 2.019 157 W HN 0.744 nan 8.180 nan 0.000 1.430 158 A N 0.134 122.998 122.820 0.073 0.000 2.423 158 A HA 0.943 5.263 4.320 0.000 0.000 0.304 158 A C -0.107 177.488 177.584 0.019 0.000 1.104 158 A CA -0.344 51.735 52.037 0.070 0.000 0.757 158 A CB 1.069 20.131 19.000 0.103 0.000 1.313 158 A HN 0.845 nan 8.150 nan 0.000 0.423 159 A N 1.538 124.370 122.820 0.020 0.000 2.371 159 A HA 0.662 4.982 4.320 0.000 0.000 0.257 159 A C -2.398 175.177 177.584 -0.015 0.000 1.089 159 A CA -1.137 50.891 52.037 -0.016 0.000 0.794 159 A CB -0.677 18.318 19.000 -0.007 0.000 1.029 159 A HN 0.560 nan 8.150 nan 0.000 0.488 160 P HA 0.219 nan 4.420 nan 0.000 0.271 160 P C 1.111 178.265 177.300 -0.243 0.000 1.216 160 P CA 0.237 63.241 63.100 -0.160 0.000 0.776 160 P CB 0.739 32.296 31.700 -0.239 0.000 0.881 161 G N 1.623 110.324 108.800 -0.164 0.000 2.479 161 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 161 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 161 G C 1.050 175.835 174.900 -0.192 0.000 1.115 161 G CA 0.915 45.925 45.100 -0.149 0.000 0.757 161 G HN 0.758 nan 8.290 nan 0.000 0.560 162 H N -1.138 117.833 119.070 -0.166 0.000 2.524 162 H HA 0.148 4.704 4.556 0.000 0.000 0.282 162 H C 0.775 176.005 175.328 -0.163 0.000 1.016 162 H CA 0.650 56.524 56.048 -0.289 0.000 1.270 162 H CB -0.245 29.207 29.762 -0.516 0.000 1.394 162 H HN 0.292 nan 8.280 nan 0.000 0.568 163 Q N 0.483 120.117 119.800 -0.277 0.000 2.448 163 Q HA -0.181 4.159 4.340 0.000 0.000 0.357 163 Q C 0.998 176.934 176.000 -0.106 0.000 1.443 163 Q CA 0.986 56.723 55.803 -0.111 0.000 0.996 163 Q CB -2.449 26.222 28.738 -0.111 0.000 1.180 163 Q HN 1.106 nan 8.270 nan 0.000 0.338 164 G N -0.750 107.968 108.800 -0.137 0.000 2.225 164 G HA2 -0.084 3.876 3.960 0.000 0.000 0.267 164 G HA3 -0.084 3.876 3.960 0.000 0.000 0.267 164 G C 0.928 175.894 174.900 0.111 0.000 1.024 164 G CA 1.103 45.992 45.100 -0.351 0.000 0.784 164 G HN 1.925 nan 8.290 nan 0.000 0.507 165 G N -3.048 106.017 108.800 0.441 0.000 2.195 165 G HA2 -0.202 3.758 3.960 0.000 0.000 0.246 165 G HA3 -0.202 3.758 3.960 0.000 0.000 0.246 165 G C 1.361 176.288 174.900 0.046 0.000 0.984 165 G CA 1.024 46.250 45.100 0.210 0.000 0.633 165 G HN 1.407 nan 8.290 nan 0.000 0.525 166 V N 1.427 121.323 119.914 -0.031 0.000 2.332 166 V HA -0.042 4.078 4.120 0.000 0.000 0.248 166 V C 3.179 179.187 176.094 -0.143 0.000 1.055 166 V CA 3.218 65.444 62.300 -0.123 0.000 1.038 166 V CB -1.147 30.611 31.823 -0.108 0.000 0.651 166 V HN 0.801 nan 8.190 nan 0.000 0.450 167 G N -0.312 108.386 108.800 -0.170 0.000 2.513 167 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 167 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 167 G C 1.422 176.173 174.900 -0.248 0.000 1.160 167 G CA 1.337 46.287 45.100 -0.251 0.000 0.767 167 G HN 0.467 nan 8.290 nan 0.000 0.571 168 F N 1.732 121.615 119.950 -0.110 0.000 2.161 168 F HA -0.091 4.436 4.527 0.000 0.000 0.300 168 F C 3.180 178.937 175.800 -0.071 0.000 1.089 168 F CA 1.679 59.632 58.000 -0.078 0.000 1.282 168 F CB -1.092 37.863 39.000 -0.075 0.000 1.010 168 F HN 0.246 nan 8.300 nan 0.000 0.485 169 T N -2.019 112.532 114.554 -0.004 0.000 3.025 169 T HA -0.166 4.184 4.350 0.000 0.000 0.270 169 T C 1.511 176.197 174.700 -0.024 0.000 1.126 169 T CA 0.986 63.042 62.100 -0.073 0.000 1.105 169 T CB -0.500 68.239 68.868 -0.216 0.000 0.884 169 T HN 0.307 nan 8.240 nan 0.000 0.522 170 K N 1.471 121.860 120.400 -0.019 0.000 2.426 170 K HA 0.104 4.424 4.320 0.000 0.000 0.193 170 K C 0.968 177.571 176.600 0.004 0.000 1.028 170 K CA 0.580 56.855 56.287 -0.019 0.000 1.047 170 K CB 0.244 32.719 32.500 -0.041 0.000 0.821 170 K HN 0.634 nan 8.250 nan 0.000 0.513 171 T N -2.861 111.712 114.554 0.032 0.000 2.916 171 T HA 0.286 4.636 4.350 0.000 0.000 0.292 171 T C -2.445 172.298 174.700 0.071 0.000 1.055 171 T CA -2.285 59.839 62.100 0.041 0.000 1.009 171 T CB 2.153 71.044 68.868 0.038 0.000 1.118 171 T HN -0.330 nan 8.240 nan 0.000 0.497 172 P HA -0.085 nan 4.420 nan 0.000 0.215 172 P C 1.728 179.110 177.300 0.137 0.000 1.157 172 P CA 1.926 65.080 63.100 0.091 0.000 0.874 172 P CB -0.316 31.419 31.700 0.059 0.000 0.790 173 A N -0.262 122.620 122.820 0.103 0.000 1.883 173 A HA -0.120 4.200 4.320 0.000 0.000 0.217 173 A C 2.533 180.247 177.584 0.215 0.000 1.186 173 A CA 2.246 54.356 52.037 0.122 0.000 0.624 173 A CB -1.902 17.129 19.000 0.050 0.000 0.822 173 A HN 0.299 nan 8.150 nan 0.000 0.444 174 G N -0.863 108.054 108.800 0.195 0.000 2.408 174 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 174 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 174 G C 1.717 176.823 174.900 0.344 0.000 1.150 174 G CA 1.090 46.364 45.100 0.290 0.000 0.776 174 G HN 0.567 nan 8.290 nan 0.000 0.542 175 R N -0.613 120.030 120.500 0.238 0.000 2.075 175 R HA 0.005 4.345 4.340 0.000 0.000 0.232 175 R C 2.183 178.626 176.300 0.239 0.000 1.126 175 R CA 1.263 57.481 56.100 0.196 0.000 0.963 175 R CB -0.570 29.798 30.300 0.113 0.000 0.858 175 R HN 0.325 nan 8.270 nan 0.000 0.435 176 F N 0.165 120.199 119.950 0.141 0.000 2.069 176 F HA -0.304 4.223 4.527 0.000 0.000 0.298 176 F C 2.042 177.939 175.800 0.161 0.000 1.113 176 F CA 2.049 60.123 58.000 0.124 0.000 1.214 176 F CB -0.633 38.413 39.000 0.077 0.000 0.978 176 F HN 0.149 nan 8.300 nan 0.000 0.474 177 Y N 0.405 120.904 120.300 0.331 0.000 2.114 177 Y HA -0.375 4.175 4.550 0.000 0.000 0.282 177 Y C 2.921 178.947 175.900 0.211 0.000 1.165 177 Y CA 2.496 60.739 58.100 0.239 0.000 1.148 177 Y CB -1.267 37.278 38.460 0.142 0.000 0.972 177 Y HN 0.342 nan 8.280 nan 0.000 0.504 178 H N -0.196 118.832 119.070 -0.069 0.000 2.321 178 H HA -0.143 4.413 4.556 0.000 0.000 0.300 178 H C 1.322 176.635 175.328 -0.026 0.000 1.087 178 H CA 2.090 58.029 56.048 -0.182 0.000 1.319 178 H CB -0.271 29.415 29.762 -0.126 0.000 1.379 178 H HN 0.410 nan 8.280 nan 0.000 0.501 179 D N -0.282 120.121 120.400 0.005 0.000 2.224 179 D HA -0.121 4.519 4.640 0.000 0.000 0.205 179 D C 1.983 178.144 176.300 -0.232 0.000 0.965 179 D CA 0.570 54.511 54.000 -0.099 0.000 0.852 179 D CB -0.590 40.160 40.800 -0.083 0.000 0.947 179 D HN 0.441 nan 8.370 nan 0.000 0.494 180 Y N -0.089 119.949 120.300 -0.438 0.000 2.200 180 Y HA -0.232 4.318 4.550 0.000 0.000 0.290 180 Y C 1.623 177.188 175.900 -0.557 0.000 1.137 180 Y CA 1.567 59.345 58.100 -0.536 0.000 1.163 180 Y CB -0.281 37.837 38.460 -0.570 0.000 0.988 180 Y HN -0.017 nan 8.280 nan 0.000 0.518 181 Y N 0.209 120.360 120.300 -0.249 0.000 2.517 181 Y HA 0.254 4.804 4.550 0.000 0.000 0.281 181 Y C 1.485 177.159 175.900 -0.376 0.000 1.125 181 Y CA 0.324 58.208 58.100 -0.359 0.000 1.283 181 Y CB -0.257 37.920 38.460 -0.471 0.000 1.042 181 Y HN 0.203 nan 8.280 nan 0.000 0.547 182 G N 1.359 110.030 108.800 -0.216 0.000 2.856 182 G HA2 -0.322 3.638 3.960 0.000 0.000 0.674 182 G HA3 -0.322 3.638 3.960 0.000 0.000 0.674 182 G C 0.624 175.409 174.900 -0.192 0.000 1.519 182 G CA 0.118 45.088 45.100 -0.218 0.000 0.940 182 G HN 0.516 nan 8.290 nan 0.000 0.564 183 E N -0.078 120.059 120.200 -0.104 0.000 2.158 183 E HA -0.102 4.248 4.350 0.000 0.000 0.191 183 E C 1.880 178.524 176.600 0.073 0.000 0.982 183 E CA 0.987 57.438 56.400 0.085 0.000 0.823 183 E CB -0.131 29.669 29.700 0.167 0.000 0.766 183 E HN 0.392 nan 8.360 nan 0.000 0.468 184 N N 1.117 119.813 118.700 -0.007 0.000 2.205 184 N HA -0.153 4.587 4.740 0.000 0.000 0.186 184 N C 1.842 177.325 175.510 -0.046 0.000 1.015 184 N CA 0.934 53.991 53.050 0.013 0.000 0.862 184 N CB -0.326 38.179 38.487 0.031 0.000 0.986 184 N HN 0.237 nan 8.380 nan 0.000 0.429 185 L N 0.122 121.199 121.223 -0.243 0.000 2.042 185 L HA -0.107 4.233 4.340 0.000 0.000 0.210 185 L C 1.550 178.215 176.870 -0.343 0.000 1.076 185 L CA 1.688 56.279 54.840 -0.416 0.000 0.749 185 L CB -0.595 40.989 42.059 -0.792 0.000 0.893 185 L HN -0.022 nan 8.230 nan 0.000 0.432 186 F N -0.734 119.228 119.950 0.020 0.000 2.335 186 F HA 0.103 4.630 4.527 0.000 0.000 0.296 186 F C 2.499 178.404 175.800 0.175 0.000 1.091 186 F CA 0.645 58.723 58.000 0.131 0.000 1.399 186 F CB -0.625 38.441 39.000 0.109 0.000 1.067 186 F HN -0.084 nan 8.300 nan 0.000 0.520 187 R N -0.010 120.620 120.500 0.217 0.000 2.115 187 R HA -0.098 4.243 4.340 0.000 0.000 0.230 187 R C 2.022 178.530 176.300 0.346 0.000 1.111 187 R CA 1.788 57.959 56.100 0.118 0.000 0.976 187 R CB -0.799 29.567 30.300 0.109 0.000 0.870 187 R HN 0.369 nan 8.270 nan 0.000 0.445 188 T N -2.129 112.582 114.554 0.262 0.000 3.129 188 T HA -0.031 4.319 4.350 0.000 0.000 0.251 188 T C 0.571 175.457 174.700 0.310 0.000 1.117 188 T CA 0.000 62.273 62.100 0.288 0.000 1.034 188 T CB 0.085 69.100 68.868 0.246 0.000 0.968 188 T HN -0.112 nan 8.240 nan 0.000 0.526 189 D N 1.820 122.395 120.400 0.292 0.000 2.498 189 D HA 0.256 4.896 4.640 0.000 0.000 0.229 189 D C -0.362 176.065 176.300 0.212 0.000 1.188 189 D CA -0.038 54.111 54.000 0.249 0.000 1.028 189 D CB -0.401 40.622 40.800 0.373 0.000 1.087 189 D HN 0.452 nan 8.370 nan 0.000 0.510 190 M N 1.316 120.975 119.600 0.098 0.000 2.508 190 M HA 0.475 4.955 4.480 0.000 0.000 0.327 190 M C 1.029 177.239 176.300 -0.150 0.000 1.160 190 M CA -1.045 54.289 55.300 0.057 0.000 0.980 190 M CB 2.173 34.821 32.600 0.080 0.000 1.693 190 M HN 0.189 nan 8.290 nan 0.000 0.452 191 G N 0.964 109.744 108.800 -0.032 0.000 2.653 191 G HA2 0.354 4.314 3.960 0.000 0.000 0.265 191 G HA3 0.354 4.314 3.960 0.000 0.000 0.265 191 G C -0.391 174.542 174.900 0.054 0.000 1.237 191 G CA -0.734 44.339 45.100 -0.045 0.000 0.946 191 G HN 0.818 nan 8.290 nan 0.000 0.522 192 I N 0.175 120.786 120.570 0.069 0.000 2.680 192 I HA 0.023 4.193 4.170 0.000 0.000 0.286 192 I C -0.149 176.060 176.117 0.155 0.000 1.144 192 I CA 0.018 61.406 61.300 0.147 0.000 1.370 192 I CB 0.219 38.264 38.000 0.075 0.000 1.420 192 I HN 0.211 nan 8.210 nan 0.000 0.540 193 E N 8.267 128.587 120.200 0.201 0.000 2.282 193 E HA 0.147 4.497 4.350 0.000 0.000 0.247 193 E C 0.930 177.550 176.600 0.034 0.000 1.113 193 E CA -0.184 56.294 56.400 0.130 0.000 1.095 193 E CB 0.384 30.173 29.700 0.148 0.000 1.328 193 E HN 0.706 nan 8.360 nan 0.000 0.463 194 R N 0.109 120.636 120.500 0.045 0.000 2.136 194 R HA -0.200 4.140 4.340 0.000 0.000 0.242 194 R C 2.013 178.303 176.300 -0.016 0.000 1.131 194 R CA 2.505 58.617 56.100 0.021 0.000 0.937 194 R CB -0.812 29.503 30.300 0.025 0.000 0.863 194 R HN 0.334 nan 8.270 nan 0.000 0.435 195 T N -0.968 113.568 114.554 -0.030 0.000 2.821 195 T HA -0.040 4.310 4.350 0.000 0.000 0.267 195 T C 2.100 176.736 174.700 -0.106 0.000 1.046 195 T CA 1.431 63.503 62.100 -0.046 0.000 1.139 195 T CB -0.169 68.686 68.868 -0.022 0.000 0.871 195 T HN 0.158 nan 8.240 nan 0.000 0.454 196 S N 1.946 117.519 115.700 -0.212 0.000 2.325 196 S HA 0.130 4.600 4.470 0.000 0.000 0.213 196 S C 1.831 176.246 174.600 -0.307 0.000 1.031 196 S CA 0.555 58.527 58.200 -0.380 0.000 0.984 196 S CB -0.488 62.125 63.200 -0.978 0.000 0.939 196 S HN 0.164 nan 8.310 nan 0.000 0.438 197 L N 0.914 121.957 121.223 -0.300 0.000 2.249 197 L HA 0.331 4.671 4.340 0.000 0.000 0.207 197 L C 1.478 178.361 176.870 0.022 0.000 1.090 197 L CA 1.451 56.192 54.840 -0.165 0.000 0.802 197 L CB -1.653 40.341 42.059 -0.108 0.000 0.947 197 L HN 0.618 nan 8.230 nan 0.000 0.453 198 G N -0.912 107.928 108.800 0.066 0.000 2.627 198 G HA2 -0.129 3.831 3.960 0.000 0.000 0.214 198 G HA3 -0.129 3.831 3.960 0.000 0.000 0.214 198 G C -0.446 174.547 174.900 0.155 0.000 1.331 198 G CA -0.180 44.996 45.100 0.126 0.000 0.891 198 G HN 0.376 nan 8.290 nan 0.000 0.539 199 S N -1.271 114.416 115.700 -0.020 0.000 2.521 199 S HA 0.574 5.044 4.470 0.000 0.000 0.295 199 S C 1.050 175.224 174.600 -0.710 0.000 1.098 199 S CA 0.402 58.380 58.200 -0.370 0.000 0.999 199 S CB 1.555 64.655 63.200 -0.167 0.000 1.034 199 S HN 1.888 nan 8.310 nan 0.000 0.483 200 L N 5.362 125.796 121.223 -1.316 0.000 1.989 200 L HA 0.058 4.398 4.340 0.000 0.000 0.211 200 L C 1.668 178.157 176.870 -0.635 0.000 1.071 200 L CA 2.006 56.340 54.840 -0.844 0.000 0.749 200 L CB -0.680 41.044 42.059 -0.557 0.000 0.890 200 L HN 0.773 nan 8.230 nan 0.000 0.431 201 L N -0.275 120.716 121.223 -0.387 0.000 2.191 201 L HA -0.167 4.173 4.340 0.000 0.000 0.212 201 L C 1.885 178.585 176.870 -0.282 0.000 1.103 201 L CA 1.488 56.184 54.840 -0.242 0.000 0.769 201 L CB -0.943 41.113 42.059 -0.004 0.000 0.908 201 L HN 0.357 nan 8.230 nan 0.000 0.438 202 D N -2.061 118.210 120.400 -0.214 0.000 2.346 202 D HA -0.004 4.636 4.640 0.000 0.000 0.206 202 D C 0.185 176.577 176.300 0.153 0.000 1.001 202 D CA 0.207 54.233 54.000 0.043 0.000 0.871 202 D CB 0.001 40.829 40.800 0.047 0.000 0.943 202 D HN 0.354 nan 8.370 nan 0.000 0.518 203 H N 0.130 119.216 119.070 0.027 0.000 2.819 203 H HA -0.116 4.440 4.556 0.000 0.000 0.315 203 H C 0.054 175.368 175.328 -0.023 0.000 1.242 203 H CA 1.061 57.107 56.048 -0.002 0.000 1.157 203 H CB -2.497 27.245 29.762 -0.032 0.000 1.451 203 H HN 0.264 nan 8.280 nan 0.000 0.430 204 T N -3.316 111.277 114.554 0.065 0.000 2.926 204 T HA 0.681 5.031 4.350 0.000 0.000 0.289 204 T C 1.073 175.828 174.700 0.091 0.000 1.054 204 T CA 0.254 62.380 62.100 0.043 0.000 1.015 204 T CB 3.361 72.242 68.868 0.021 0.000 1.167 204 T HN 0.944 nan 8.240 nan 0.000 0.526 205 G N 1.029 109.851 108.800 0.037 0.000 2.550 205 G HA2 -0.018 3.942 3.960 0.000 0.000 0.277 205 G HA3 -0.018 3.942 3.960 0.000 0.000 0.277 205 G C 1.150 176.047 174.900 -0.005 0.000 1.190 205 G CA 0.764 45.875 45.100 0.018 0.000 0.971 205 G HN 1.765 nan 8.290 nan 0.000 0.559 206 A N -1.181 121.593 122.820 -0.076 0.000 1.969 206 A HA 0.375 4.695 4.320 0.000 0.000 0.218 206 A C 2.240 179.715 177.584 -0.182 0.000 1.169 206 A CA 2.283 54.213 52.037 -0.177 0.000 0.635 206 A CB -0.431 18.387 19.000 -0.304 0.000 0.810 206 A HN 0.821 nan 8.150 nan 0.000 0.445 207 F N 0.431 120.338 119.950 -0.073 0.000 2.095 207 F HA -0.113 4.414 4.527 0.000 0.000 0.298 207 F C 2.656 178.460 175.800 0.006 0.000 1.104 207 F CA 1.488 59.463 58.000 -0.042 0.000 1.232 207 F CB -0.927 38.024 39.000 -0.082 0.000 0.987 207 F HN 0.284 nan 8.300 nan 0.000 0.475 208 G N -1.198 107.707 108.800 0.176 0.000 2.421 208 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 208 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 208 G C 1.531 176.457 174.900 0.044 0.000 1.143 208 G CA 0.594 45.745 45.100 0.085 0.000 0.784 208 G HN 0.381 nan 8.290 nan 0.000 0.541 209 E N 0.197 120.415 120.200 0.030 0.000 2.152 209 E HA -0.089 4.261 4.350 0.000 0.000 0.192 209 E C 2.520 179.167 176.600 0.078 0.000 0.983 209 E CA 0.893 57.304 56.400 0.019 0.000 0.818 209 E CB -0.047 29.637 29.700 -0.027 0.000 0.758 209 E HN 0.399 nan 8.360 nan 0.000 0.467 210 S N 0.132 115.891 115.700 0.098 0.000 2.387 210 S HA -0.118 4.352 4.470 0.000 0.000 0.226 210 S C 1.659 176.401 174.600 0.237 0.000 1.026 210 S CA 0.943 59.258 58.200 0.191 0.000 0.972 210 S CB -0.052 63.234 63.200 0.143 0.000 0.814 210 S HN 0.261 nan 8.310 nan 0.000 0.477 211 E N 0.529 120.842 120.200 0.190 0.000 2.153 211 E HA -0.110 4.240 4.350 0.000 0.000 0.194 211 E C 2.115 178.756 176.600 0.067 0.000 0.988 211 E CA 0.968 57.455 56.400 0.145 0.000 0.811 211 E CB 0.002 29.754 29.700 0.085 0.000 0.746 211 E HN 0.481 nan 8.360 nan 0.000 0.466 212 K N -0.162 120.279 120.400 0.069 0.000 2.103 212 K HA -0.147 4.173 4.320 0.000 0.000 0.204 212 K C 2.027 178.707 176.600 0.135 0.000 1.052 212 K CA 0.880 57.203 56.287 0.061 0.000 0.945 212 K CB -0.139 32.384 32.500 0.039 0.000 0.722 212 K HN 0.121 nan 8.250 nan 0.000 0.443 213 Y N 1.618 121.938 120.300 0.033 0.000 2.163 213 Y HA -0.149 4.401 4.550 0.000 0.000 0.288 213 Y C 2.156 178.106 175.900 0.083 0.000 1.136 213 Y CA 0.990 59.120 58.100 0.049 0.000 1.147 213 Y CB -0.675 37.816 38.460 0.051 0.000 0.987 213 Y HN 0.015 nan 8.280 nan 0.000 0.509 214 A N 0.693 123.501 122.820 -0.019 0.000 1.883 214 A HA -0.176 4.144 4.320 0.000 0.000 0.217 214 A C 2.493 180.093 177.584 0.026 0.000 1.186 214 A CA 2.416 54.396 52.037 -0.095 0.000 0.624 214 A CB -1.556 17.248 19.000 -0.328 0.000 0.822 214 A HN 0.605 nan 8.150 nan 0.000 0.444 215 A N -0.658 122.184 122.820 0.036 0.000 1.902 215 A HA -0.154 4.166 4.320 0.000 0.000 0.217 215 A C 2.263 179.874 177.584 0.045 0.000 1.181 215 A CA 1.542 53.619 52.037 0.067 0.000 0.623 215 A CB -0.460 18.567 19.000 0.045 0.000 0.818 215 A HN 0.549 nan 8.150 nan 0.000 0.443 216 R N -0.749 119.771 120.500 0.033 0.000 2.070 216 R HA -0.098 4.242 4.340 0.000 0.000 0.233 216 R C 2.099 178.391 176.300 -0.014 0.000 1.137 216 R CA 1.668 57.783 56.100 0.026 0.000 0.945 216 R CB -0.567 29.777 30.300 0.073 0.000 0.845 216 R HN 0.395 nan 8.270 nan 0.000 0.430 217 V N 0.030 119.901 119.914 -0.073 0.000 2.358 217 V HA -0.198 3.922 4.120 0.000 0.000 0.246 217 V C 1.637 177.656 176.094 -0.126 0.000 1.047 217 V CA 1.636 63.858 62.300 -0.129 0.000 1.035 217 V CB -0.369 31.265 31.823 -0.315 0.000 0.658 217 V HN 0.200 nan 8.190 nan 0.000 0.452 218 F N 0.368 120.253 119.950 -0.108 0.000 2.765 218 F HA 0.422 4.949 4.527 0.000 0.000 0.302 218 F C 1.772 177.420 175.800 -0.255 0.000 1.111 218 F CA 0.704 58.574 58.000 -0.217 0.000 1.359 218 F CB -0.058 38.614 39.000 -0.547 0.000 1.097 218 F HN 0.274 nan 8.300 nan 0.000 0.577 219 G N 0.697 109.477 108.800 -0.032 0.000 2.160 219 G HA2 -0.082 3.878 3.960 0.000 0.000 0.244 219 G HA3 -0.082 3.878 3.960 0.000 0.000 0.244 219 G C 0.154 175.056 174.900 0.004 0.000 1.022 219 G CA -0.031 45.053 45.100 -0.027 0.000 0.741 219 G HN 0.642 nan 8.290 nan 0.000 0.508 220 A N -0.785 122.052 122.820 0.028 0.000 2.281 220 A HA 0.741 5.061 4.320 0.000 0.000 0.329 220 A C 1.082 178.697 177.584 0.051 0.000 1.122 220 A CA 0.350 52.422 52.037 0.057 0.000 0.850 220 A CB 0.754 19.832 19.000 0.130 0.000 1.207 220 A HN 0.045 nan 8.150 nan 0.000 0.495 221 D N -0.329 120.100 120.400 0.049 0.000 2.149 221 D HA 0.000 4.640 4.640 0.000 0.000 0.201 221 D C 0.631 176.940 176.300 0.014 0.000 0.972 221 D CA 1.380 55.407 54.000 0.045 0.000 0.835 221 D CB 0.236 41.060 40.800 0.041 0.000 0.966 221 D HN 0.493 nan 8.370 nan 0.000 0.476 222 R N -0.523 119.988 120.500 0.019 0.000 2.604 222 R HA 0.332 4.672 4.340 0.000 0.000 0.270 222 R C -1.577 174.743 176.300 0.033 0.000 1.052 222 R CA -0.358 55.724 56.100 -0.031 0.000 0.902 222 R CB 1.777 32.035 30.300 -0.070 0.000 1.233 222 R HN -0.174 nan 8.270 nan 0.000 0.455 223 S N 1.905 117.572 115.700 -0.055 0.000 2.536 223 S HA 0.597 5.067 4.470 0.000 0.000 0.298 223 S C -1.683 172.893 174.600 -0.039 0.000 1.083 223 S CA -0.583 57.644 58.200 0.044 0.000 0.995 223 S CB 1.132 64.337 63.200 0.009 0.000 1.058 223 S HN 0.445 nan 8.310 nan 0.000 0.488 224 W N 1.327 122.720 121.300 0.155 0.000 2.499 224 W HA 0.557 5.217 4.660 0.000 0.000 0.320 224 W C 0.246 176.964 176.519 0.332 0.000 1.010 224 W CA -0.557 56.927 57.345 0.231 0.000 1.267 224 W CB 1.330 30.939 29.460 0.247 0.000 1.316 224 W HN 0.566 nan 8.180 nan 0.000 0.431 225 S N 2.262 118.253 115.700 0.485 0.000 2.545 225 S HA 0.718 5.188 4.470 0.000 0.000 0.275 225 S C -0.762 174.015 174.600 0.294 0.000 1.299 225 S CA -0.186 58.111 58.200 0.161 0.000 1.048 225 S CB 0.483 63.770 63.200 0.146 0.000 0.938 225 S HN 0.285 nan 8.310 nan 0.000 0.496 226 V N 5.068 125.033 119.914 0.085 0.000 2.709 226 V HA 0.412 4.532 4.120 0.000 0.000 0.308 226 V C 0.444 176.560 176.094 0.036 0.000 1.062 226 V CA -0.608 61.769 62.300 0.128 0.000 0.901 226 V CB 2.030 33.898 31.823 0.075 0.000 1.003 226 V HN 0.907 nan 8.190 nan 0.000 0.425 227 V N 2.239 122.182 119.914 0.049 0.000 3.121 227 V HA 0.338 4.458 4.120 0.000 0.000 0.344 227 V C 0.094 176.187 176.094 -0.001 0.000 1.390 227 V CA 0.102 62.421 62.300 0.031 0.000 1.177 227 V CB 0.804 32.669 31.823 0.071 0.000 1.163 227 V HN 0.536 nan 8.190 nan 0.000 0.484 228 V N 1.292 121.196 119.914 -0.017 0.000 2.988 228 V HA 0.763 4.883 4.120 0.000 0.000 0.356 228 V C 1.227 177.310 176.094 -0.018 0.000 1.380 228 V CA 0.082 62.365 62.300 -0.027 0.000 1.184 228 V CB -0.619 31.178 31.823 -0.044 0.000 1.204 228 V HN 1.009 nan 8.190 nan 0.000 0.530 229 G N 1.103 109.903 108.800 0.000 0.000 2.888 229 G HA2 -0.254 3.706 3.960 0.000 0.000 0.441 229 G HA3 -0.254 3.706 3.960 0.000 0.000 0.441 229 G C 0.590 175.501 174.900 0.018 0.000 1.461 229 G CA 0.036 45.165 45.100 0.049 0.000 0.897 229 G HN 0.288 nan 8.290 nan 0.000 0.547 230 T N 0.752 115.315 114.554 0.015 0.000 2.897 230 T HA -0.101 4.249 4.350 0.000 0.000 0.271 230 T C 2.734 177.416 174.700 -0.031 0.000 1.084 230 T CA 2.050 64.137 62.100 -0.022 0.000 1.123 230 T CB -0.281 68.555 68.868 -0.052 0.000 0.865 230 T HN 0.674 nan 8.240 nan 0.000 0.496 231 S N 0.962 116.651 115.700 -0.019 0.000 2.368 231 S HA -0.137 4.333 4.470 0.000 0.000 0.226 231 S C 2.431 176.999 174.600 -0.053 0.000 1.044 231 S CA 1.500 59.711 58.200 0.019 0.000 1.062 231 S CB -0.868 62.368 63.200 0.062 0.000 0.931 231 S HN 0.684 nan 8.310 nan 0.000 0.440 232 G N 0.213 108.971 108.800 -0.071 0.000 2.421 232 G HA2 -0.099 3.861 3.960 0.000 0.000 0.217 232 G HA3 -0.099 3.861 3.960 0.000 0.000 0.217 232 G C 1.582 176.377 174.900 -0.175 0.000 1.143 232 G CA 0.941 45.962 45.100 -0.133 0.000 0.784 232 G HN 0.499 nan 8.290 nan 0.000 0.541 233 S N 0.983 116.619 115.700 -0.105 0.000 2.356 233 S HA -0.131 4.339 4.470 0.000 0.000 0.223 233 S C 2.399 176.912 174.600 -0.145 0.000 1.032 233 S CA 1.187 59.334 58.200 -0.089 0.000 1.005 233 S CB -0.255 62.932 63.200 -0.020 0.000 0.867 233 S HN 0.363 nan 8.310 nan 0.000 0.449 234 N N 1.283 119.925 118.700 -0.096 0.000 2.084 234 N HA -0.035 4.705 4.740 0.000 0.000 0.190 234 N C 1.770 177.149 175.510 -0.219 0.000 1.030 234 N CA 1.032 54.040 53.050 -0.070 0.000 0.849 234 N CB -0.330 38.201 38.487 0.073 0.000 1.012 234 N HN 0.362 nan 8.380 nan 0.000 0.423 235 R N -0.039 120.266 120.500 -0.325 0.000 2.091 235 R HA -0.052 4.288 4.340 0.000 0.000 0.238 235 R C 2.073 177.984 176.300 -0.648 0.000 1.136 235 R CA 1.581 57.325 56.100 -0.593 0.000 0.959 235 R CB -0.607 29.106 30.300 -0.978 0.000 0.856 235 R HN 0.240 nan 8.270 nan 0.000 0.437 236 T N 1.404 115.646 114.554 -0.520 0.000 2.674 236 T HA -0.114 4.236 4.350 0.000 0.000 0.265 236 T C 1.928 176.319 174.700 -0.515 0.000 1.039 236 T CA 1.415 63.257 62.100 -0.431 0.000 1.150 236 T CB -0.193 68.448 68.868 -0.380 0.000 0.864 236 T HN 0.148 nan 8.240 nan 0.000 0.427 237 I N 0.725 121.030 120.570 -0.442 0.000 2.208 237 I HA -0.205 3.965 4.170 0.000 0.000 0.245 237 I C 2.568 178.382 176.117 -0.505 0.000 1.097 237 I CA 1.428 62.426 61.300 -0.503 0.000 1.363 237 I CB -0.412 37.172 38.000 -0.692 0.000 1.051 237 I HN 0.252 nan 8.210 nan 0.000 0.413 238 M N -0.480 118.827 119.600 -0.488 0.000 2.132 238 M HA -0.186 4.294 4.480 0.000 0.000 0.263 238 M C 2.378 178.445 176.300 -0.388 0.000 1.065 238 M CA 1.429 56.403 55.300 -0.543 0.000 1.122 238 M CB -0.468 31.847 32.600 -0.475 0.000 1.365 238 M HN 0.204 nan 8.290 nan 0.000 0.411 239 Q N 0.143 119.753 119.800 -0.317 0.000 2.197 239 Q HA -0.149 4.191 4.340 0.000 0.000 0.207 239 Q C 2.058 177.913 176.000 -0.243 0.000 0.984 239 Q CA 1.971 57.642 55.803 -0.219 0.000 0.869 239 Q CB -0.402 28.265 28.738 -0.118 0.000 0.906 239 Q HN 0.594 nan 8.270 nan 0.000 0.426 240 A N -1.332 121.296 122.820 -0.321 0.000 2.132 240 A HA -0.030 4.291 4.320 0.000 0.000 0.213 240 A C 2.114 179.628 177.584 -0.117 0.000 1.154 240 A CA 0.533 52.415 52.037 -0.257 0.000 0.753 240 A CB -0.027 18.729 19.000 -0.406 0.000 0.826 240 A HN 0.408 nan 8.150 nan 0.000 0.469 241 C N -0.719 118.478 119.300 -0.171 0.000 2.935 241 C HA 0.496 4.956 4.460 0.000 0.000 0.308 241 C C 0.709 175.650 174.990 -0.082 0.000 1.263 241 C CA 0.332 59.298 59.018 -0.086 0.000 1.738 241 C CB -0.857 26.825 27.740 -0.096 0.000 2.237 241 C HN 0.714 nan 8.230 nan 0.000 0.600 242 M N 0.413 119.924 119.600 -0.148 0.000 2.484 242 M HA 0.567 5.047 4.480 0.000 0.000 0.289 242 M C -0.618 175.624 176.300 -0.097 0.000 1.206 242 M CA -0.079 55.154 55.300 -0.111 0.000 0.892 242 M CB 1.837 34.343 32.600 -0.156 0.000 1.712 242 M HN 0.118 nan 8.290 nan 0.000 0.462 243 T N -2.727 111.790 114.554 -0.062 0.000 2.804 243 T HA 0.436 4.786 4.350 0.000 0.000 0.272 243 T C 0.438 175.111 174.700 -0.044 0.000 0.986 243 T CA 0.016 62.084 62.100 -0.053 0.000 0.999 243 T CB 1.042 69.888 68.868 -0.038 0.000 1.307 243 T HN 0.779 nan 8.240 nan 0.000 0.586 244 D N -0.395 119.984 120.400 -0.035 0.000 2.349 244 D HA -0.000 4.640 4.640 0.000 0.000 0.224 244 D C 0.960 177.248 176.300 -0.020 0.000 1.029 244 D CA 0.089 54.074 54.000 -0.026 0.000 0.879 244 D CB -0.512 40.276 40.800 -0.020 0.000 0.906 244 D HN 0.339 nan 8.370 nan 0.000 0.528 245 N N 0.536 119.224 118.700 -0.019 0.000 2.463 245 N HA -0.010 4.730 4.740 0.000 0.000 0.181 245 N C -0.210 175.293 175.510 -0.012 0.000 1.078 245 N CA 0.331 53.373 53.050 -0.013 0.000 0.902 245 N CB 0.244 38.724 38.487 -0.010 0.000 0.970 245 N HN 0.302 nan 8.380 nan 0.000 0.451 246 D N -0.129 120.261 120.400 -0.016 0.000 2.229 246 D HA 0.216 4.856 4.640 0.000 0.000 0.249 246 D C -0.150 176.142 176.300 -0.012 0.000 1.027 246 D CA -0.345 53.649 54.000 -0.010 0.000 0.923 246 D CB 2.585 43.380 40.800 -0.009 0.000 1.174 246 D HN -0.282 nan 8.370 nan 0.000 0.443 247 V N 1.729 121.639 119.914 -0.006 0.000 2.439 247 V HA 0.364 4.484 4.120 0.000 0.000 0.282 247 V C 0.362 176.459 176.094 0.005 0.000 1.039 247 V CA -0.630 61.662 62.300 -0.013 0.000 0.913 247 V CB 1.419 33.232 31.823 -0.017 0.000 0.983 247 V HN 0.386 nan 8.190 nan 0.000 0.460 248 V N 2.990 122.902 119.914 -0.004 0.000 2.876 248 V HA 0.771 4.891 4.120 0.000 0.000 0.312 248 V C -0.608 175.474 176.094 -0.020 0.000 1.085 248 V CA -0.790 61.541 62.300 0.052 0.000 0.945 248 V CB 2.017 33.934 31.823 0.157 0.000 1.017 248 V HN 0.454 nan 8.190 nan 0.000 0.428 249 V N 4.135 124.038 119.914 -0.018 0.000 2.370 249 V HA 0.580 4.700 4.120 0.000 0.000 0.279 249 V C -0.119 175.935 176.094 -0.066 0.000 1.029 249 V CA -0.359 61.896 62.300 -0.076 0.000 0.870 249 V CB 1.327 33.103 31.823 -0.078 0.000 0.984 249 V HN 0.777 nan 8.190 nan 0.000 0.451 250 V N 3.689 123.574 119.914 -0.049 0.000 2.444 250 V HA 0.332 4.452 4.120 0.000 0.000 0.294 250 V C -0.120 176.062 176.094 0.148 0.000 1.022 250 V CA -0.750 61.589 62.300 0.065 0.000 0.850 250 V CB 1.940 33.850 31.823 0.144 0.000 0.992 250 V HN 0.903 nan 8.190 nan 0.000 0.426 251 D N 3.204 123.651 120.400 0.080 0.000 2.531 251 D HA -0.031 4.609 4.640 0.000 0.000 0.239 251 D C 1.171 177.573 176.300 0.171 0.000 1.144 251 D CA 0.206 54.265 54.000 0.098 0.000 0.869 251 D CB 0.996 41.814 40.800 0.031 0.000 1.160 251 D HN 0.492 nan 8.370 nan 0.000 0.484 252 R N 3.196 123.795 120.500 0.165 0.000 2.115 252 R HA -0.104 4.236 4.340 0.000 0.000 0.230 252 R C 0.458 176.810 176.300 0.086 0.000 1.111 252 R CA 0.672 56.826 56.100 0.091 0.000 0.976 252 R CB -0.405 29.926 30.300 0.051 0.000 0.870 252 R HN 0.329 nan 8.270 nan 0.000 0.445 253 N N 0.717 119.488 118.700 0.118 0.000 2.605 253 N HA 0.002 4.742 4.740 0.000 0.000 0.282 253 N C -1.367 174.248 175.510 0.176 0.000 1.206 253 N CA -0.037 53.108 53.050 0.158 0.000 1.074 253 N CB -0.386 38.200 38.487 0.165 0.000 1.434 253 N HN 0.354 nan 8.380 nan 0.000 0.506 254 C N 2.105 121.514 119.300 0.182 0.000 2.563 254 C HA 0.507 4.967 4.460 0.000 0.000 0.314 254 C C 0.444 175.584 174.990 0.250 0.000 1.199 254 C CA -1.369 57.768 59.018 0.198 0.000 1.564 254 C CB 0.902 28.739 27.740 0.160 0.000 2.173 254 C HN 0.650 nan 8.230 nan 0.000 0.485 255 H N 2.062 121.256 119.070 0.207 0.000 2.771 255 H HA 0.122 4.678 4.556 0.000 0.000 0.364 255 H C 0.979 176.389 175.328 0.137 0.000 1.133 255 H CA 0.864 57.041 56.048 0.215 0.000 1.423 255 H CB 0.890 30.785 29.762 0.220 0.000 1.425 255 H HN 0.805 nan 8.280 nan 0.000 0.606 256 K N 1.525 121.571 120.400 -0.590 0.000 2.127 256 K HA -0.199 4.121 4.320 0.000 0.000 0.208 256 K C 2.177 178.704 176.600 -0.122 0.000 1.047 256 K CA 1.925 58.017 56.287 -0.324 0.000 0.927 256 K CB -0.036 32.255 32.500 -0.349 0.000 0.716 256 K HN 0.626 nan 8.250 nan 0.000 0.450 257 S N 0.936 116.662 115.700 0.042 0.000 2.402 257 S HA -0.109 4.361 4.470 0.000 0.000 0.229 257 S C 1.964 176.618 174.600 0.091 0.000 1.021 257 S CA 0.775 59.074 58.200 0.165 0.000 0.974 257 S CB -0.278 63.118 63.200 0.327 0.000 0.800 257 S HN 0.070 nan 8.310 nan 0.000 0.484 258 I N 2.542 123.196 120.570 0.141 0.000 2.179 258 I HA -0.111 4.059 4.170 0.000 0.000 0.242 258 I C 2.833 178.984 176.117 0.057 0.000 1.088 258 I CA 1.503 62.869 61.300 0.111 0.000 1.357 258 I CB -1.595 36.503 38.000 0.163 0.000 1.051 258 I HN 0.504 nan 8.210 nan 0.000 0.409 259 E N 0.849 121.079 120.200 0.051 0.000 2.058 259 E HA -0.273 4.077 4.350 0.000 0.000 0.194 259 E C 2.172 178.760 176.600 -0.020 0.000 0.997 259 E CA 1.468 57.885 56.400 0.029 0.000 0.801 259 E CB 0.021 29.731 29.700 0.017 0.000 0.746 259 E HN 0.535 nan 8.360 nan 0.000 0.450 260 Q N -0.457 119.317 119.800 -0.043 0.000 2.112 260 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 260 Q C 2.205 178.137 176.000 -0.112 0.000 0.987 260 Q CA 1.571 57.320 55.803 -0.090 0.000 0.858 260 Q CB -0.394 28.291 28.738 -0.088 0.000 0.905 260 Q HN 0.426 nan 8.270 nan 0.000 0.420 261 G N 0.766 109.499 108.800 -0.111 0.000 2.446 261 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 261 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 261 G C 1.366 176.189 174.900 -0.128 0.000 1.168 261 G CA 0.745 45.752 45.100 -0.155 0.000 0.771 261 G HN 0.203 nan 8.290 nan 0.000 0.551 262 L N -0.166 121.008 121.223 -0.081 0.000 2.042 262 L HA -0.112 4.228 4.340 0.000 0.000 0.210 262 L C 3.108 179.949 176.870 -0.048 0.000 1.076 262 L CA 1.305 56.114 54.840 -0.052 0.000 0.749 262 L CB -0.397 41.665 42.059 0.006 0.000 0.893 262 L HN 0.268 nan 8.230 nan 0.000 0.432 263 M N -0.830 118.735 119.600 -0.058 0.000 2.296 263 M HA -0.173 4.307 4.480 0.000 0.000 0.265 263 M C 2.119 178.366 176.300 -0.089 0.000 1.064 263 M CA 1.519 56.777 55.300 -0.070 0.000 1.109 263 M CB -0.212 32.310 32.600 -0.130 0.000 1.396 263 M HN 0.246 nan 8.290 nan 0.000 0.430 264 L N -0.577 120.585 121.223 -0.102 0.000 2.270 264 L HA -0.056 4.285 4.340 0.000 0.000 0.210 264 L C 2.593 179.424 176.870 -0.065 0.000 1.104 264 L CA 1.201 55.992 54.840 -0.082 0.000 0.804 264 L CB -0.486 41.536 42.059 -0.061 0.000 0.937 264 L HN 0.416 nan 8.230 nan 0.000 0.450 265 T N -4.901 109.606 114.554 -0.078 0.000 3.040 265 T HA 0.209 4.559 4.350 0.000 0.000 0.252 265 T C 1.527 176.195 174.700 -0.054 0.000 1.064 265 T CA 0.551 62.605 62.100 -0.078 0.000 1.110 265 T CB 0.537 69.336 68.868 -0.114 0.000 0.921 265 T HN 0.323 nan 8.240 nan 0.000 0.480 266 G N 1.784 110.559 108.800 -0.043 0.000 2.136 266 G HA2 -0.011 3.949 3.960 0.000 0.000 0.242 266 G HA3 -0.011 3.949 3.960 0.000 0.000 0.242 266 G C 0.320 175.203 174.900 -0.028 0.000 0.989 266 G CA 0.027 45.112 45.100 -0.023 0.000 0.682 266 G HN 1.151 nan 8.290 nan 0.000 0.522 267 A N -0.186 122.607 122.820 -0.044 0.000 2.448 267 A HA 0.551 4.871 4.320 0.000 0.000 0.239 267 A C 0.686 178.249 177.584 -0.035 0.000 1.080 267 A CA 0.304 52.314 52.037 -0.045 0.000 0.779 267 A CB 0.371 19.331 19.000 -0.066 0.000 1.026 267 A HN 0.287 nan 8.150 nan 0.000 0.499 268 K N 2.409 122.787 120.400 -0.037 0.000 2.268 268 K HA 0.356 4.676 4.320 0.000 0.000 0.276 268 K C -2.861 173.688 176.600 -0.085 0.000 1.080 268 K CA -1.764 54.495 56.287 -0.047 0.000 0.910 268 K CB 1.168 33.646 32.500 -0.036 0.000 1.163 268 K HN 0.444 nan 8.250 nan 0.000 0.465 269 P HA 0.277 nan 4.420 nan 0.000 0.292 269 P C -0.397 176.624 177.300 -0.465 0.000 1.283 269 P CA -0.629 62.296 63.100 -0.290 0.000 0.835 269 P CB 1.444 32.953 31.700 -0.319 0.000 1.017 270 V N 4.322 123.950 119.914 -0.477 0.000 2.628 270 V HA 0.373 4.493 4.120 0.000 0.000 0.306 270 V C -0.617 175.128 176.094 -0.581 0.000 1.045 270 V CA -0.502 61.523 62.300 -0.459 0.000 0.905 270 V CB 1.272 32.983 31.823 -0.188 0.000 0.997 270 V HN 0.386 nan 8.190 nan 0.000 0.436 271 Y N 3.524 123.830 120.300 0.009 0.000 2.387 271 Y HA 0.623 5.173 4.550 0.000 0.000 0.336 271 Y C 0.328 176.235 175.900 0.012 0.000 1.067 271 Y CA -0.914 57.194 58.100 0.012 0.000 1.114 271 Y CB 1.409 39.877 38.460 0.013 0.000 1.208 271 Y HN 0.432 nan 8.280 nan 0.000 0.458 272 M N 3.424 123.121 119.600 0.162 0.000 2.108 272 M HA 0.367 4.847 4.480 0.000 0.000 0.354 272 M C -0.932 175.439 176.300 0.119 0.000 1.229 272 M CA -0.684 54.683 55.300 0.111 0.000 1.081 272 M CB 0.855 33.506 32.600 0.085 0.000 1.606 272 M HN 0.313 nan 8.290 nan 0.000 0.467 273 V N 6.138 126.102 119.914 0.084 0.000 2.488 273 V HA 0.284 4.404 4.120 0.000 0.000 0.277 273 V C -1.867 174.234 176.094 0.012 0.000 1.046 273 V CA -1.302 61.030 62.300 0.054 0.000 0.986 273 V CB 0.373 32.216 31.823 0.032 0.000 0.989 273 V HN 0.651 nan 8.190 nan 0.000 0.475 274 P HA 0.262 nan 4.420 nan 0.000 0.279 274 P C -0.188 177.013 177.300 -0.165 0.000 1.252 274 P CA -0.356 62.713 63.100 -0.051 0.000 0.811 274 P CB 1.012 32.710 31.700 -0.002 0.000 1.035 275 S N 1.647 117.148 115.700 -0.331 0.000 2.596 275 S HA 0.435 4.905 4.470 0.000 0.000 0.260 275 S C 0.322 174.809 174.600 -0.188 0.000 1.336 275 S CA -0.402 57.570 58.200 -0.380 0.000 0.993 275 S CB 0.527 63.330 63.200 -0.663 0.000 0.923 275 S HN 0.749 nan 8.310 nan 0.000 0.567 276 R N 0.051 120.540 120.500 -0.018 0.000 2.810 276 R HA 0.579 4.919 4.340 0.000 0.000 0.266 276 R C -1.504 174.998 176.300 0.338 0.000 1.061 276 R CA -0.910 55.281 56.100 0.152 0.000 0.943 276 R CB 0.666 30.967 30.300 0.000 0.000 1.237 276 R HN 0.779 nan 8.270 nan 0.000 0.459 277 N N -1.015 117.845 118.700 0.266 0.000 2.701 277 N HA 0.216 4.956 4.740 0.000 0.000 0.290 277 N C 0.412 175.882 175.510 -0.067 0.000 1.338 277 N CA -1.025 52.067 53.050 0.070 0.000 0.799 277 N CB 0.980 39.372 38.487 -0.158 0.000 1.491 277 N HN 0.771 nan 8.380 nan 0.000 0.540 278 R N -1.019 119.358 120.500 -0.206 0.000 2.261 278 R HA -0.152 4.188 4.340 0.000 0.000 0.236 278 R C 0.014 176.110 176.300 -0.340 0.000 1.141 278 R CA 1.442 57.349 56.100 -0.321 0.000 1.001 278 R CB -0.667 29.343 30.300 -0.482 0.000 0.866 278 R HN 0.614 nan 8.270 nan 0.000 0.468 279 Y N -0.116 120.121 120.300 -0.105 0.000 2.462 279 Y HA 0.317 4.867 4.550 0.000 0.000 0.261 279 Y C 1.669 177.509 175.900 -0.099 0.000 1.146 279 Y CA 0.356 58.393 58.100 -0.105 0.000 1.283 279 Y CB 0.859 39.166 38.460 -0.255 0.000 1.090 279 Y HN 0.389 nan 8.280 nan 0.000 0.526 280 G N 0.618 109.426 108.800 0.014 0.000 2.141 280 G HA2 -0.268 3.692 3.960 0.000 0.000 0.231 280 G HA3 -0.268 3.692 3.960 0.000 0.000 0.231 280 G C 0.037 174.908 174.900 -0.048 0.000 0.984 280 G CA -0.080 44.999 45.100 -0.034 0.000 0.660 280 G HN 0.260 nan 8.290 nan 0.000 0.525 281 I N 1.954 122.514 120.570 -0.016 0.000 2.396 281 I HA 0.343 4.513 4.170 0.000 0.000 0.292 281 I C 0.735 176.927 176.117 0.126 0.000 0.999 281 I CA -1.033 60.269 61.300 0.003 0.000 1.310 281 I CB 0.976 38.894 38.000 -0.137 0.000 1.404 281 I HN -0.104 nan 8.210 nan 0.000 0.496 282 I N 4.944 125.561 120.570 0.079 0.000 2.441 282 I HA 0.276 4.446 4.170 0.000 0.000 0.287 282 I C 0.878 176.997 176.117 0.002 0.000 1.049 282 I CA 0.339 61.656 61.300 0.029 0.000 1.381 282 I CB 0.734 38.734 38.000 0.000 0.000 1.409 282 I HN 0.668 nan 8.210 nan 0.000 0.523 283 G N 7.659 116.296 108.800 -0.271 0.000 2.795 283 G HA2 0.684 4.644 3.960 0.000 0.000 0.267 283 G HA3 0.684 4.644 3.960 0.000 0.000 0.267 283 G C -2.785 171.833 174.900 -0.470 0.000 1.362 283 G CA -0.970 43.641 45.100 -0.814 0.000 1.048 283 G HN 0.393 nan 8.290 nan 0.000 0.547 284 P HA 0.318 nan 4.420 nan 0.000 0.276 284 P C -0.178 177.144 177.300 0.036 0.000 1.244 284 P CA -0.424 62.460 63.100 -0.360 0.000 0.801 284 P CB 1.254 32.579 31.700 -0.626 0.000 1.006 285 I N 1.599 122.389 120.570 0.366 0.000 2.683 285 I HA -0.070 4.100 4.170 0.000 0.000 0.286 285 I C 0.799 177.280 176.117 0.607 0.000 1.175 285 I CA 0.255 61.775 61.300 0.367 0.000 1.429 285 I CB -0.303 37.942 38.000 0.409 0.000 1.371 285 I HN 0.242 nan 8.210 nan 0.000 0.569 286 Y N 7.797 128.185 120.300 0.147 0.000 2.326 286 Y HA 0.173 4.723 4.550 0.000 0.000 0.333 286 Y C -1.261 174.494 175.900 -0.242 0.000 1.240 286 Y CA -2.652 55.373 58.100 -0.124 0.000 1.365 286 Y CB -0.263 38.099 38.460 -0.163 0.000 1.289 286 Y HN 0.446 nan 8.280 nan 0.000 0.548 287 P HA -0.196 nan 4.420 nan 0.000 0.217 287 P C 0.985 178.183 177.300 -0.170 0.000 1.148 287 P CA 1.768 64.540 63.100 -0.547 0.000 0.828 287 P CB 0.357 31.561 31.700 -0.827 0.000 0.783 288 Q N -0.519 119.214 119.800 -0.111 0.000 2.084 288 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 288 Q C 2.052 178.057 176.000 0.010 0.000 0.978 288 Q CA 1.185 56.968 55.803 -0.034 0.000 0.844 288 Q CB -0.778 27.960 28.738 0.001 0.000 0.898 288 Q HN 0.276 nan 8.270 nan 0.000 0.426 289 E N -0.319 119.908 120.200 0.045 0.000 2.409 289 E HA -0.079 4.271 4.350 0.000 0.000 0.198 289 E C 1.287 177.922 176.600 0.058 0.000 1.024 289 E CA 0.854 57.288 56.400 0.056 0.000 0.861 289 E CB 0.081 29.827 29.700 0.076 0.000 0.788 289 E HN 0.523 nan 8.360 nan 0.000 0.521 290 M N -0.001 119.636 119.600 0.063 0.000 2.333 290 M HA 0.066 4.546 4.480 0.000 0.000 0.257 290 M C 0.251 176.574 176.300 0.038 0.000 1.078 290 M CA -0.006 55.334 55.300 0.068 0.000 1.005 290 M CB 0.616 33.300 32.600 0.140 0.000 1.444 290 M HN -0.261 nan 8.290 nan 0.000 0.496 291 Q N 1.824 121.635 119.800 0.018 0.000 2.330 291 Q HA 0.061 4.401 4.340 0.000 0.000 0.279 291 Q C -1.625 174.381 176.000 0.009 0.000 1.024 291 Q CA -0.940 54.867 55.803 0.008 0.000 0.900 291 Q CB 0.402 29.137 28.738 -0.005 0.000 1.221 291 Q HN 0.040 nan 8.270 nan 0.000 0.396 292 P HA -0.246 nan 4.420 nan 0.000 0.216 292 P C 1.051 178.352 177.300 0.003 0.000 1.157 292 P CA 1.637 64.740 63.100 0.005 0.000 0.880 292 P CB 0.175 31.879 31.700 0.006 0.000 0.791 293 E N -0.449 119.752 120.200 0.002 0.000 2.150 293 E HA -0.124 4.226 4.350 0.000 0.000 0.193 293 E C 1.580 178.181 176.600 0.002 0.000 0.985 293 E CA 1.543 57.944 56.400 0.001 0.000 0.814 293 E CB -1.914 27.787 29.700 0.001 0.000 0.752 293 E HN 0.212 nan 8.360 nan 0.000 0.466 294 T N 2.161 116.716 114.554 0.003 0.000 2.746 294 T HA -0.037 4.313 4.350 0.000 0.000 0.267 294 T C 2.171 176.873 174.700 0.004 0.000 1.039 294 T CA 1.311 63.414 62.100 0.005 0.000 1.142 294 T CB -0.206 68.667 68.868 0.009 0.000 0.866 294 T HN 0.098 nan 8.240 nan 0.000 0.444 295 L N 0.563 121.787 121.223 0.002 0.000 2.044 295 L HA -0.041 4.299 4.340 0.000 0.000 0.205 295 L C 2.921 179.786 176.870 -0.008 0.000 1.075 295 L CA 1.170 56.007 54.840 -0.004 0.000 0.747 295 L CB -0.669 41.386 42.059 -0.008 0.000 0.903 295 L HN 0.199 nan 8.230 nan 0.000 0.435 296 Q N 0.168 119.965 119.800 -0.005 0.000 2.197 296 Q HA -0.285 4.055 4.340 0.000 0.000 0.207 296 Q C 2.169 178.167 176.000 -0.005 0.000 0.984 296 Q CA 1.742 57.542 55.803 -0.005 0.000 0.869 296 Q CB -0.113 28.624 28.738 -0.002 0.000 0.906 296 Q HN 0.391 nan 8.270 nan 0.000 0.426 297 K N 1.043 121.441 120.400 -0.003 0.000 2.044 297 K HA -0.109 4.211 4.320 0.000 0.000 0.204 297 K C 1.803 178.401 176.600 -0.002 0.000 1.049 297 K CA 0.877 57.164 56.287 -0.001 0.000 0.945 297 K CB 0.155 32.656 32.500 0.002 0.000 0.724 297 K HN -0.052 nan 8.250 nan 0.000 0.440 298 K N 0.682 121.080 120.400 -0.003 0.000 2.044 298 K HA -0.161 4.159 4.320 0.000 0.000 0.210 298 K C 2.079 178.670 176.600 -0.016 0.000 1.049 298 K CA 1.998 58.281 56.287 -0.006 0.000 0.927 298 K CB -0.212 32.283 32.500 -0.008 0.000 0.713 298 K HN 0.179 nan 8.250 nan 0.000 0.443 299 I N 0.379 120.937 120.570 -0.021 0.000 2.142 299 I HA -0.310 3.860 4.170 0.000 0.000 0.240 299 I C 2.312 178.419 176.117 -0.016 0.000 1.078 299 I CA 1.138 62.423 61.300 -0.025 0.000 1.343 299 I CB -0.267 37.720 38.000 -0.022 0.000 1.046 299 I HN 0.077 nan 8.210 nan 0.000 0.405 300 S N 0.028 115.722 115.700 -0.010 0.000 2.387 300 S HA -0.228 4.242 4.470 0.000 0.000 0.230 300 S C 1.817 176.415 174.600 -0.005 0.000 1.035 300 S CA 1.558 59.755 58.200 -0.006 0.000 1.014 300 S CB -0.271 62.927 63.200 -0.003 0.000 0.836 300 S HN 0.488 nan 8.310 nan 0.000 0.466 301 E N 0.282 120.480 120.200 -0.004 0.000 2.364 301 E HA 0.132 4.482 4.350 0.000 0.000 0.196 301 E C 0.571 177.171 176.600 0.000 0.000 0.990 301 E CA -0.179 56.221 56.400 -0.000 0.000 0.886 301 E CB 0.253 29.955 29.700 0.003 0.000 0.866 301 E HN 0.214 nan 8.360 nan 0.000 0.493 302 S N 1.678 117.375 115.700 -0.004 0.000 2.533 302 S HA 0.047 4.517 4.470 0.000 0.000 0.282 302 S C -1.789 172.809 174.600 -0.003 0.000 1.304 302 S CA -1.515 56.683 58.200 -0.003 0.000 1.063 302 S CB 0.823 64.012 63.200 -0.018 0.000 0.881 302 S HN -0.169 nan 8.310 nan 0.000 0.493 303 P HA -0.091 nan 4.420 nan 0.000 0.216 303 P C 1.207 178.506 177.300 -0.000 0.000 1.150 303 P CA 1.171 64.272 63.100 0.003 0.000 0.837 303 P CB 0.005 31.709 31.700 0.007 0.000 0.786 304 L N -1.383 119.839 121.223 -0.002 0.000 2.376 304 L HA -0.035 4.305 4.340 0.000 0.000 0.219 304 L C 1.682 178.542 176.870 -0.017 0.000 1.133 304 L CA 1.881 56.716 54.840 -0.008 0.000 0.816 304 L CB -1.085 40.968 42.059 -0.009 0.000 0.933 304 L HN 0.184 nan 8.230 nan 0.000 0.449 305 T N -6.613 107.929 114.554 -0.020 0.000 3.058 305 T HA 0.132 4.482 4.350 0.000 0.000 0.278 305 T C 1.401 176.093 174.700 -0.014 0.000 0.974 305 T CA -0.467 61.620 62.100 -0.022 0.000 0.893 305 T CB 0.389 69.236 68.868 -0.035 0.000 1.138 305 T HN -0.001 nan 8.240 nan 0.000 0.529 306 K N 2.088 122.482 120.400 -0.010 0.000 2.015 306 K HA -0.195 4.125 4.320 0.000 0.000 0.216 306 K C 1.870 178.467 176.600 -0.005 0.000 1.052 306 K CA 2.315 58.599 56.287 -0.006 0.000 0.937 306 K CB -0.236 32.262 32.500 -0.003 0.000 0.719 306 K HN 0.566 nan 8.250 nan 0.000 0.446 307 D N 0.353 120.750 120.400 -0.005 0.000 2.350 307 D HA -0.143 4.497 4.640 0.000 0.000 0.216 307 D C 0.772 177.069 176.300 -0.004 0.000 0.968 307 D CA 1.066 55.064 54.000 -0.004 0.000 0.894 307 D CB -0.073 40.725 40.800 -0.003 0.000 0.909 307 D HN 0.157 nan 8.370 nan 0.000 0.520 308 K N 0.203 120.600 120.400 -0.007 0.000 2.397 308 K HA 0.357 4.677 4.320 0.000 0.000 0.202 308 K C 0.432 177.029 176.600 -0.006 0.000 1.022 308 K CA -0.192 56.091 56.287 -0.007 0.000 1.141 308 K CB 0.901 33.395 32.500 -0.009 0.000 0.857 308 K HN 0.120 nan 8.250 nan 0.000 0.514 309 A N 0.827 123.643 122.820 -0.006 0.000 2.565 309 A HA 0.287 4.607 4.320 0.000 0.000 0.237 309 A C 1.324 178.906 177.584 -0.003 0.000 1.053 309 A CA 1.217 53.251 52.037 -0.005 0.000 0.755 309 A CB -0.430 18.568 19.000 -0.004 0.000 0.980 309 A HN 0.608 nan 8.150 nan 0.000 0.506 310 G N 0.680 109.478 108.800 -0.003 0.000 2.184 310 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 310 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 310 G C 0.331 175.231 174.900 0.001 0.000 0.975 310 G CA 0.669 45.769 45.100 -0.001 0.000 0.642 310 G HN 1.129 nan 8.290 nan 0.000 0.536 311 Q N 0.442 120.242 119.800 -0.000 0.000 2.288 311 Q HA 0.408 4.748 4.340 0.000 0.000 0.254 311 Q C 0.535 176.537 176.000 0.003 0.000 0.932 311 Q CA -0.481 55.323 55.803 0.002 0.000 0.902 311 Q CB 0.436 29.174 28.738 0.000 0.000 1.203 311 Q HN 0.310 nan 8.270 nan 0.000 0.415 312 K N 5.177 125.582 120.400 0.007 0.000 2.412 312 K HA 0.147 4.467 4.320 0.000 0.000 0.284 312 K C -2.309 174.300 176.600 0.015 0.000 1.046 312 K CA -1.423 54.870 56.287 0.011 0.000 0.999 312 K CB 0.423 32.932 32.500 0.015 0.000 0.941 312 K HN 0.392 nan 8.250 nan 0.000 0.474 313 P HA -0.028 nan 4.420 nan 0.000 0.268 313 P C -0.057 177.272 177.300 0.048 0.000 1.205 313 P CA -0.039 63.076 63.100 0.024 0.000 0.771 313 P CB 0.950 32.656 31.700 0.010 0.000 0.858 314 S N 1.269 117.014 115.700 0.075 0.000 2.558 314 S HA 0.107 4.577 4.470 0.000 0.000 0.217 314 S C -0.016 174.698 174.600 0.190 0.000 0.975 314 S CA 0.206 58.467 58.200 0.102 0.000 0.912 314 S CB -0.541 62.705 63.200 0.077 0.000 0.776 314 S HN 0.565 nan 8.310 nan 0.000 0.526 315 Y N -0.502 119.800 120.300 0.004 0.000 2.565 315 Y HA 0.502 5.052 4.550 0.000 0.000 0.330 315 Y C -1.733 174.159 175.900 -0.014 0.000 1.150 315 Y CA -1.508 56.597 58.100 0.009 0.000 1.055 315 Y CB 1.155 39.610 38.460 -0.009 0.000 1.337 315 Y HN 0.228 nan 8.280 nan 0.000 0.457 316 C N 6.214 125.102 119.300 -0.685 0.000 2.782 316 C HA 0.862 5.322 4.460 0.000 0.000 0.328 316 C C -1.985 172.497 174.990 -0.848 0.000 1.145 316 C CA -0.560 58.086 59.018 -0.620 0.000 1.358 316 C CB 0.750 28.299 27.740 -0.319 0.000 1.841 316 C HN 0.888 nan 8.230 nan 0.000 0.477 317 V N 6.623 126.175 119.914 -0.604 0.000 2.588 317 V HA 0.808 4.928 4.120 0.000 0.000 0.304 317 V C -0.934 174.933 176.094 -0.377 0.000 1.042 317 V CA -0.174 61.813 62.300 -0.521 0.000 0.877 317 V CB 2.060 33.697 31.823 -0.310 0.000 0.996 317 V HN 0.841 nan 8.190 nan 0.000 0.425 318 V N 5.043 124.672 119.914 -0.475 0.000 2.487 318 V HA 0.417 4.537 4.120 0.000 0.000 0.298 318 V C 0.191 176.170 176.094 -0.192 0.000 1.028 318 V CA -0.541 61.557 62.300 -0.337 0.000 0.860 318 V CB 2.243 33.794 31.823 -0.455 0.000 0.991 318 V HN 0.917 nan 8.190 nan 0.000 0.427 319 T N 4.263 118.761 114.554 -0.093 0.000 2.775 319 T HA 0.196 4.546 4.350 0.000 0.000 0.287 319 T C -0.013 174.707 174.700 0.034 0.000 0.909 319 T CA 0.147 62.235 62.100 -0.020 0.000 1.081 319 T CB -0.420 68.447 68.868 -0.003 0.000 0.891 319 T HN 0.618 nan 8.240 nan 0.000 0.544 320 N N 2.614 121.351 118.700 0.061 0.000 2.399 320 N HA 0.397 5.137 4.740 0.000 0.000 0.284 320 N C -0.142 175.289 175.510 -0.132 0.000 1.025 320 N CA -0.777 52.293 53.050 0.034 0.000 0.885 320 N CB 0.653 39.176 38.487 0.059 0.000 1.339 320 N HN 0.707 nan 8.380 nan 0.000 0.487 321 C N 1.129 120.135 119.300 -0.489 0.000 2.365 321 C HA 0.850 5.311 4.460 0.000 0.000 0.374 321 C C 1.299 176.171 174.990 -0.197 0.000 1.318 321 C CA -0.665 58.097 59.018 -0.428 0.000 2.239 321 C CB 0.018 27.320 27.740 -0.730 0.000 2.144 321 C HN 0.755 nan 8.230 nan 0.000 0.581 322 T N -1.613 112.862 114.554 -0.131 0.000 2.816 322 T HA 0.289 4.639 4.350 0.000 0.000 0.282 322 T C 0.444 175.030 174.700 -0.191 0.000 0.993 322 T CA 0.001 62.011 62.100 -0.151 0.000 0.994 322 T CB 0.141 69.011 68.868 0.004 0.000 1.025 322 T HN 0.699 nan 8.240 nan 0.000 0.529 323 Y N -0.140 120.148 120.300 -0.020 0.000 2.333 323 Y HA -0.009 4.541 4.550 0.000 0.000 0.290 323 Y C 2.348 178.152 175.900 -0.160 0.000 1.144 323 Y CA 1.132 59.112 58.100 -0.199 0.000 1.228 323 Y CB -0.328 38.063 38.460 -0.114 0.000 0.985 323 Y HN 0.618 nan 8.280 nan 0.000 0.542 324 D N -1.340 119.134 120.400 0.124 0.000 2.349 324 D HA 0.143 4.783 4.640 0.000 0.000 0.214 324 D C 1.466 177.912 176.300 0.244 0.000 1.063 324 D CA 1.003 55.105 54.000 0.171 0.000 0.847 324 D CB 0.478 41.397 40.800 0.199 0.000 0.933 324 D HN 0.440 nan 8.370 nan 0.000 0.513 325 G N 0.974 109.862 108.800 0.147 0.000 2.131 325 G HA2 -0.248 3.712 3.960 0.000 0.000 0.201 325 G HA3 -0.248 3.712 3.960 0.000 0.000 0.201 325 G C 0.258 175.243 174.900 0.143 0.000 1.000 325 G CA -0.223 44.964 45.100 0.145 0.000 0.680 325 G HN 0.213 nan 8.290 nan 0.000 0.514 326 V N 0.801 120.786 119.914 0.119 0.000 2.455 326 V HA 0.406 4.526 4.120 0.000 0.000 0.273 326 V C 0.884 176.930 176.094 -0.081 0.000 1.045 326 V CA -0.220 62.112 62.300 0.054 0.000 0.976 326 V CB 1.002 32.836 31.823 0.018 0.000 0.993 326 V HN 0.486 nan 8.190 nan 0.000 0.475 327 C N 5.611 124.875 119.300 -0.060 0.000 2.319 327 C HA 0.557 5.017 4.460 0.000 0.000 0.323 327 C C -0.031 174.973 174.990 0.025 0.000 1.277 327 C CA -1.361 57.635 59.018 -0.038 0.000 1.517 327 C CB -0.225 27.569 27.740 0.091 0.000 2.206 327 C HN 0.758 nan 8.230 nan 0.000 0.486 328 Y N 1.680 121.895 120.300 -0.143 0.000 2.336 328 Y HA 0.129 4.679 4.550 0.000 0.000 0.331 328 Y C 1.215 176.842 175.900 -0.455 0.000 1.211 328 Y CA 0.207 58.079 58.100 -0.380 0.000 1.346 328 Y CB 0.476 38.672 38.460 -0.440 0.000 1.271 328 Y HN 0.631 nan 8.280 nan 0.000 0.538 329 N N 2.182 120.519 118.700 -0.604 0.000 2.406 329 N HA 0.020 4.760 4.740 0.000 0.000 0.269 329 N C 0.445 175.631 175.510 -0.539 0.000 1.210 329 N CA 0.303 52.863 53.050 -0.817 0.000 0.966 329 N CB 0.847 39.002 38.487 -0.554 0.000 1.293 329 N HN 0.875 nan 8.380 nan 0.000 0.491 330 A N 4.464 126.990 122.820 -0.491 0.000 1.969 330 A HA -0.129 4.191 4.320 0.000 0.000 0.218 330 A C 2.128 179.534 177.584 -0.297 0.000 1.169 330 A CA 1.065 52.811 52.037 -0.484 0.000 0.635 330 A CB -0.261 18.308 19.000 -0.718 0.000 0.810 330 A HN 0.735 nan 8.150 nan 0.000 0.445 331 K N -0.338 119.896 120.400 -0.277 0.000 2.032 331 K HA -0.200 4.120 4.320 0.000 0.000 0.209 331 K C 1.777 178.347 176.600 -0.050 0.000 1.048 331 K CA 1.690 57.885 56.287 -0.153 0.000 0.927 331 K CB -0.103 32.306 32.500 -0.152 0.000 0.712 331 K HN 0.354 nan 8.250 nan 0.000 0.441 332 E N 0.147 120.324 120.200 -0.038 0.000 2.107 332 E HA -0.115 4.235 4.350 0.000 0.000 0.191 332 E C 1.928 178.672 176.600 0.241 0.000 0.982 332 E CA 1.108 57.584 56.400 0.127 0.000 0.809 332 E CB -0.248 29.596 29.700 0.241 0.000 0.756 332 E HN 0.432 nan 8.360 nan 0.000 0.459 333 A N 1.318 124.215 122.820 0.129 0.000 1.930 333 A HA -0.235 4.085 4.320 0.000 0.000 0.217 333 A C 2.205 179.930 177.584 0.235 0.000 1.175 333 A CA 1.764 53.953 52.037 0.253 0.000 0.627 333 A CB -0.548 18.506 19.000 0.090 0.000 0.815 333 A HN 0.279 nan 8.150 nan 0.000 0.443 334 Q N -0.288 119.639 119.800 0.211 0.000 2.061 334 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 334 Q C 1.655 177.723 176.000 0.113 0.000 0.984 334 Q CA 2.159 58.075 55.803 0.188 0.000 0.846 334 Q CB -0.312 28.523 28.738 0.162 0.000 0.902 334 Q HN 0.624 nan 8.270 nan 0.000 0.421 335 D N 0.003 120.464 120.400 0.101 0.000 2.133 335 D HA -0.196 4.444 4.640 0.000 0.000 0.192 335 D C 1.905 178.254 176.300 0.082 0.000 1.001 335 D CA 1.579 55.627 54.000 0.080 0.000 0.844 335 D CB -0.092 40.757 40.800 0.081 0.000 0.944 335 D HN 0.265 nan 8.370 nan 0.000 0.447 336 L N -0.286 121.007 121.223 0.116 0.000 2.005 336 L HA -0.125 4.215 4.340 0.000 0.000 0.207 336 L C 2.463 179.373 176.870 0.066 0.000 1.072 336 L CA 0.707 55.604 54.840 0.096 0.000 0.744 336 L CB -0.404 41.737 42.059 0.136 0.000 0.895 336 L HN 0.151 nan 8.230 nan 0.000 0.433 337 L N -0.003 121.261 121.223 0.068 0.000 2.141 337 L HA -0.185 4.155 4.340 0.000 0.000 0.209 337 L C 2.625 179.494 176.870 -0.001 0.000 1.094 337 L CA 1.153 56.001 54.840 0.013 0.000 0.763 337 L CB -0.532 41.504 42.059 -0.038 0.000 0.908 337 L HN 0.426 nan 8.230 nan 0.000 0.437 338 E N 0.584 120.794 120.200 0.018 0.000 2.409 338 E HA -0.237 4.113 4.350 0.000 0.000 0.198 338 E C 1.786 178.395 176.600 0.015 0.000 1.024 338 E CA 0.818 57.226 56.400 0.014 0.000 0.861 338 E CB -0.027 29.689 29.700 0.027 0.000 0.788 338 E HN 0.422 nan 8.360 nan 0.000 0.521 339 K N 0.304 120.714 120.400 0.017 0.000 2.148 339 K HA -0.035 4.285 4.320 0.000 0.000 0.204 339 K C 1.921 178.526 176.600 0.009 0.000 1.050 339 K CA 1.832 58.128 56.287 0.015 0.000 0.942 339 K CB 0.130 32.641 32.500 0.017 0.000 0.724 339 K HN 0.114 nan 8.250 nan 0.000 0.446 340 T N -0.707 113.849 114.554 0.003 0.000 2.925 340 T HA 0.021 4.371 4.350 0.000 0.000 0.245 340 T C 0.821 175.520 174.700 -0.002 0.000 1.025 340 T CA 0.425 62.523 62.100 -0.002 0.000 1.149 340 T CB 0.270 69.131 68.868 -0.011 0.000 0.866 340 T HN 0.036 nan 8.240 nan 0.000 0.437 341 S N 0.115 115.810 115.700 -0.009 0.000 2.536 341 S HA 0.347 4.817 4.470 0.000 0.000 0.298 341 S C -0.405 174.199 174.600 0.007 0.000 1.083 341 S CA -0.754 57.444 58.200 -0.003 0.000 0.995 341 S CB 1.418 64.599 63.200 -0.032 0.000 1.058 341 S HN 0.071 nan 8.310 nan 0.000 0.488 342 D N 1.707 122.124 120.400 0.029 0.000 2.367 342 D HA 0.180 4.820 4.640 0.000 0.000 0.207 342 D C -0.154 176.179 176.300 0.054 0.000 1.034 342 D CA 0.468 54.490 54.000 0.036 0.000 0.861 342 D CB 0.350 41.175 40.800 0.042 0.000 0.943 342 D HN 0.296 nan 8.370 nan 0.000 0.515 343 R N 0.510 121.060 120.500 0.083 0.000 2.288 343 R HA 0.471 4.811 4.340 0.000 0.000 0.326 343 R C -0.538 175.804 176.300 0.069 0.000 0.959 343 R CA -0.146 56.050 56.100 0.160 0.000 0.834 343 R CB 1.537 32.028 30.300 0.318 0.000 1.157 343 R HN -0.111 nan 8.270 nan 0.000 0.470 344 L N 2.909 124.163 121.223 0.051 0.000 2.313 344 L HA 0.433 4.773 4.340 0.000 0.000 0.283 344 L C -0.268 176.617 176.870 0.025 0.000 1.013 344 L CA -0.616 54.160 54.840 -0.107 0.000 0.816 344 L CB 1.623 43.590 42.059 -0.153 0.000 1.236 344 L HN 0.651 nan 8.230 nan 0.000 0.419 345 H N 4.060 122.955 119.070 -0.292 0.000 2.638 345 H HA 0.362 4.918 4.556 0.000 0.000 0.317 345 H C -1.463 173.698 175.328 -0.279 0.000 1.006 345 H CA -0.766 55.225 56.048 -0.094 0.000 1.222 345 H CB 0.995 30.754 29.762 -0.005 0.000 1.419 345 H HN 0.372 nan 8.280 nan 0.000 0.489 346 F N 3.700 123.747 119.950 0.162 0.000 2.371 346 F HA 0.069 4.596 4.527 0.000 0.000 0.363 346 F C 0.502 176.316 175.800 0.022 0.000 1.122 346 F CA -0.681 57.312 58.000 -0.012 0.000 1.129 346 F CB 0.885 39.911 39.000 0.045 0.000 1.173 346 F HN 0.585 nan 8.300 nan 0.000 0.489 347 D N 3.950 124.328 120.400 -0.037 0.000 2.402 347 D HA 0.052 4.692 4.640 0.000 0.000 0.235 347 D C 0.215 176.620 176.300 0.175 0.000 1.226 347 D CA 0.196 54.226 54.000 0.051 0.000 0.918 347 D CB 0.306 41.058 40.800 -0.080 0.000 1.043 347 D HN 0.611 nan 8.370 nan 0.000 0.506 348 E N 2.342 122.716 120.200 0.289 0.000 2.411 348 E HA 0.171 4.521 4.350 0.000 0.000 0.204 348 E C 1.347 178.160 176.600 0.355 0.000 1.059 348 E CA -0.358 56.268 56.400 0.376 0.000 1.112 348 E CB 0.650 30.667 29.700 0.528 0.000 1.168 348 E HN 0.502 nan 8.360 nan 0.000 0.445 349 A N 0.407 123.347 122.820 0.200 0.000 1.917 349 A HA -0.173 4.147 4.320 0.000 0.000 0.219 349 A C 1.326 178.901 177.584 -0.015 0.000 1.182 349 A CA 1.028 53.090 52.037 0.042 0.000 0.633 349 A CB -0.582 18.343 19.000 -0.124 0.000 0.819 349 A HN 0.496 nan 8.150 nan 0.000 0.448 350 W N -2.498 118.851 121.300 0.082 0.000 3.400 350 W HA 0.335 4.995 4.660 0.000 0.000 0.347 350 W C 0.658 177.278 176.519 0.169 0.000 1.218 350 W CA -0.117 57.297 57.345 0.115 0.000 1.837 350 W CB -0.017 29.500 29.460 0.096 0.000 1.067 350 W HN 0.484 nan 8.180 nan 0.000 0.701 351 Y N -1.011 119.292 120.300 0.005 0.000 2.777 351 Y HA 0.231 4.781 4.550 0.000 0.000 0.248 351 Y C 1.845 177.291 175.900 -0.756 0.000 1.127 351 Y CA -0.078 57.767 58.100 -0.425 0.000 1.149 351 Y CB 0.176 38.513 38.460 -0.205 0.000 1.230 351 Y HN -0.058 nan 8.280 nan 0.000 0.586 352 G N 0.251 108.705 108.800 -0.577 0.000 2.470 352 G HA2 -0.320 3.640 3.960 0.000 0.000 0.220 352 G HA3 -0.320 3.640 3.960 0.000 0.000 0.220 352 G C 1.013 175.643 174.900 -0.450 0.000 1.121 352 G CA 1.423 46.013 45.100 -0.850 0.000 0.766 352 G HN 0.682 nan 8.290 nan 0.000 0.553 353 Y N -0.894 119.283 120.300 -0.205 0.000 2.517 353 Y HA 0.573 5.123 4.550 0.000 0.000 0.281 353 Y C 2.570 178.265 175.900 -0.342 0.000 1.125 353 Y CA -0.243 57.836 58.100 -0.035 0.000 1.283 353 Y CB -0.705 37.733 38.460 -0.037 0.000 1.042 353 Y HN 0.130 nan 8.280 nan 0.000 0.547 354 A N 2.139 124.221 122.820 -1.230 0.000 1.927 354 A HA -0.334 3.986 4.320 0.000 0.000 0.220 354 A C 2.435 179.297 177.584 -1.204 0.000 1.185 354 A CA 2.309 53.502 52.037 -1.407 0.000 0.639 354 A CB -0.924 16.854 19.000 -2.037 0.000 0.820 354 A HN 0.572 nan 8.150 nan 0.000 0.451 355 R N -1.539 117.992 120.500 -1.615 0.000 2.159 355 R HA -0.148 4.193 4.340 0.000 0.000 0.237 355 R C 1.116 176.778 176.300 -1.063 0.000 1.131 355 R CA 1.812 56.873 56.100 -1.731 0.000 0.982 355 R CB -0.307 28.991 30.300 -1.671 0.000 0.868 355 R HN 0.525 nan 8.270 nan 0.000 0.453 356 F N -0.389 119.353 119.950 -0.346 0.000 2.776 356 F HA 0.238 4.765 4.527 0.000 0.000 0.300 356 F C 0.654 176.415 175.800 -0.064 0.000 1.116 356 F CA -0.082 57.803 58.000 -0.192 0.000 1.375 356 F CB -0.016 38.861 39.000 -0.205 0.000 1.109 356 F HN -0.065 nan 8.300 nan 0.000 0.585 357 N N 0.730 119.495 118.700 0.108 0.000 2.314 357 N HA 0.200 4.940 4.740 0.000 0.000 0.294 357 N C -2.226 173.339 175.510 0.092 0.000 1.029 357 N CA -1.716 51.413 53.050 0.132 0.000 0.845 357 N CB 2.376 40.984 38.487 0.201 0.000 1.321 357 N HN -0.232 nan 8.380 nan 0.000 0.481 358 P HA -0.010 nan 4.420 nan 0.000 0.220 358 P C 1.435 178.724 177.300 -0.019 0.000 1.148 358 P CA 0.596 63.711 63.100 0.025 0.000 0.803 358 P CB 0.431 32.134 31.700 0.005 0.000 0.782 359 I N -2.120 118.351 120.570 -0.164 0.000 2.850 359 I HA -0.225 3.945 4.170 0.000 0.000 0.266 359 I C 0.876 176.792 176.117 -0.335 0.000 1.257 359 I CA 1.310 62.423 61.300 -0.312 0.000 1.465 359 I CB -0.029 37.646 38.000 -0.541 0.000 1.091 359 I HN -0.050 nan 8.210 nan 0.000 0.467 360 Y N 0.376 120.700 120.300 0.040 0.000 2.467 360 Y HA 0.450 5.000 4.550 0.000 0.000 0.250 360 Y C 1.386 177.451 175.900 0.274 0.000 1.155 360 Y CA -0.251 57.918 58.100 0.116 0.000 1.249 360 Y CB -0.608 37.923 38.460 0.119 0.000 1.146 360 Y HN 0.016 nan 8.280 nan 0.000 0.524 361 A N 1.189 124.202 122.820 0.322 0.000 2.608 361 A HA -0.100 4.220 4.320 0.000 0.000 0.246 361 A C 0.870 178.592 177.584 0.230 0.000 0.998 361 A CA 1.185 53.367 52.037 0.241 0.000 0.796 361 A CB -0.473 18.607 19.000 0.133 0.000 0.895 361 A HN 0.664 nan 8.150 nan 0.000 0.508 362 D N 0.223 120.573 120.400 -0.083 0.000 2.946 362 D HA -0.177 4.463 4.640 0.000 0.000 0.202 362 D C 0.149 176.257 176.300 -0.321 0.000 1.068 362 D CA 2.212 56.070 54.000 -0.238 0.000 1.011 362 D CB -1.263 39.460 40.800 -0.128 0.000 1.105 362 D HN 0.929 nan 8.370 nan 0.000 0.425 363 H N -0.600 118.383 119.070 -0.144 0.000 2.550 363 H HA 0.377 4.933 4.556 0.000 0.000 0.304 363 H C -0.069 175.349 175.328 0.150 0.000 1.086 363 H CA -0.015 56.044 56.048 0.018 0.000 1.089 363 H CB -0.236 29.645 29.762 0.198 0.000 1.528 363 H HN 0.416 nan 8.280 nan 0.000 0.539 364 Y N -4.843 115.445 120.300 -0.021 0.000 2.670 364 Y HA 0.649 5.199 4.550 0.000 0.000 0.334 364 Y C 0.562 176.316 175.900 -0.243 0.000 1.185 364 Y CA -1.177 56.867 58.100 -0.094 0.000 1.053 364 Y CB 0.640 38.989 38.460 -0.185 0.000 1.298 364 Y HN -0.154 nan 8.280 nan 0.000 0.459 365 A N 0.961 123.722 122.820 -0.099 0.000 1.874 365 A HA 0.111 4.431 4.320 0.000 0.000 0.214 365 A C 0.978 178.530 177.584 -0.054 0.000 1.189 365 A CA 0.909 52.851 52.037 -0.159 0.000 0.615 365 A CB -0.282 18.740 19.000 0.036 0.000 0.830 365 A HN 0.622 nan 8.150 nan 0.000 0.443 366 M N 2.064 121.730 119.600 0.110 0.000 3.396 366 M HA 0.241 4.721 4.480 0.000 0.000 0.255 366 M C -0.685 175.682 176.300 0.111 0.000 1.398 366 M CA 0.209 55.559 55.300 0.082 0.000 1.554 366 M CB -0.706 31.936 32.600 0.069 0.000 1.070 366 M HN 0.222 nan 8.290 nan 0.000 0.587 367 R N 0.195 120.650 120.500 -0.075 0.000 2.357 367 R HA 0.624 4.964 4.340 0.000 0.000 0.296 367 R C 1.157 177.428 176.300 -0.047 0.000 1.052 367 R CA 0.149 56.169 56.100 -0.133 0.000 0.988 367 R CB 0.686 30.791 30.300 -0.325 0.000 1.025 367 R HN 0.768 nan 8.270 nan 0.000 0.469 368 G N 2.269 111.062 108.800 -0.011 0.000 2.574 368 G HA2 -0.290 3.670 3.960 0.000 0.000 0.282 368 G HA3 -0.290 3.670 3.960 0.000 0.000 0.282 368 G C -0.596 174.291 174.900 -0.022 0.000 1.257 368 G CA -0.214 44.875 45.100 -0.019 0.000 0.956 368 G HN 0.530 nan 8.290 nan 0.000 0.560 369 E N 2.120 122.305 120.200 -0.025 0.000 2.231 369 E HA 0.524 4.875 4.350 0.000 0.000 0.277 369 E C -1.436 175.149 176.600 -0.024 0.000 0.999 369 E CA -1.386 55.000 56.400 -0.022 0.000 0.827 369 E CB 1.254 30.941 29.700 -0.022 0.000 1.101 369 E HN 0.481 nan 8.360 nan 0.000 0.393 370 P HA 0.343 nan 4.420 nan 0.000 0.277 370 P C 0.426 177.704 177.300 -0.037 0.000 1.271 370 P CA -0.125 62.972 63.100 -0.005 0.000 0.795 370 P CB 0.963 32.680 31.700 0.028 0.000 1.101 371 G N -0.910 107.844 108.800 -0.076 0.000 2.705 371 G HA2 -0.159 3.801 3.960 0.000 0.000 0.193 371 G HA3 -0.159 3.801 3.960 0.000 0.000 0.193 371 G C -0.103 174.444 174.900 -0.588 0.000 1.015 371 G CA -0.144 44.796 45.100 -0.268 0.000 0.743 371 G HN 0.637 nan 8.290 nan 0.000 0.476 372 D N 1.491 121.707 120.400 -0.307 0.000 2.402 372 D HA 0.347 4.987 4.640 0.000 0.000 0.235 372 D C 0.738 176.947 176.300 -0.152 0.000 1.226 372 D CA -0.328 53.531 54.000 -0.235 0.000 0.918 372 D CB 0.009 40.747 40.800 -0.103 0.000 1.043 372 D HN 0.402 nan 8.370 nan 0.000 0.506 373 H N 2.217 121.280 119.070 -0.012 0.000 2.555 373 H HA 0.081 4.637 4.556 0.000 0.000 0.283 373 H C 0.234 175.557 175.328 -0.009 0.000 1.037 373 H CA -0.120 55.920 56.048 -0.013 0.000 1.169 373 H CB -0.176 29.580 29.762 -0.010 0.000 1.375 373 H HN 0.256 nan 8.280 nan 0.000 0.582 374 N N 1.501 120.236 118.700 0.059 0.000 2.949 374 N HA 0.321 5.061 4.740 0.000 0.000 0.243 374 N C 0.061 175.588 175.510 0.028 0.000 1.113 374 N CA 0.250 53.323 53.050 0.038 0.000 0.980 374 N CB 0.589 39.086 38.487 0.016 0.000 1.256 374 N HN 0.566 nan 8.380 nan 0.000 0.508 375 G N 2.177 110.998 108.800 0.035 0.000 2.343 375 G HA2 0.088 4.048 3.960 0.000 0.000 0.289 375 G HA3 0.088 4.048 3.960 0.000 0.000 0.289 375 G C -3.320 171.596 174.900 0.027 0.000 1.295 375 G CA -0.729 44.388 45.100 0.028 0.000 0.869 375 G HN 0.158 nan 8.290 nan 0.000 0.522 376 P HA 0.336 nan 4.420 nan 0.000 0.273 376 P C -0.088 177.208 177.300 -0.006 0.000 1.250 376 P CA 0.184 63.293 63.100 0.015 0.000 0.793 376 P CB 0.594 32.305 31.700 0.019 0.000 1.011 377 T N 0.493 115.030 114.554 -0.028 0.000 2.832 377 T HA 0.322 4.672 4.350 0.000 0.000 0.296 377 T C -0.082 174.521 174.700 -0.160 0.000 0.968 377 T CA -0.108 61.916 62.100 -0.128 0.000 1.107 377 T CB 0.102 68.881 68.868 -0.149 0.000 0.916 377 T HN 0.089 nan 8.240 nan 0.000 0.517 378 V N 4.558 124.330 119.914 -0.238 0.000 2.540 378 V HA 0.549 4.669 4.120 0.000 0.000 0.302 378 V C -0.782 175.140 176.094 -0.286 0.000 1.035 378 V CA -0.981 61.250 62.300 -0.115 0.000 0.873 378 V CB 1.260 33.128 31.823 0.076 0.000 0.992 378 V HN 0.743 nan 8.190 nan 0.000 0.428 379 F N 2.388 122.409 119.950 0.119 0.000 2.450 379 F HA 0.839 5.366 4.527 0.000 0.000 0.332 379 F C 0.455 176.395 175.800 0.233 0.000 1.093 379 F CA -0.547 57.510 58.000 0.095 0.000 1.003 379 F CB 2.017 40.989 39.000 -0.047 0.000 1.151 379 F HN 0.589 nan 8.300 nan 0.000 0.474 380 A N 1.322 124.356 122.820 0.356 0.000 2.381 380 A HA 0.732 5.052 4.320 0.000 0.000 0.299 380 A C -0.765 176.893 177.584 0.124 0.000 1.049 380 A CA -0.698 51.517 52.037 0.296 0.000 0.715 380 A CB 0.939 20.064 19.000 0.209 0.000 1.222 380 A HN 0.715 nan 8.150 nan 0.000 0.428 381 T N 0.037 114.685 114.554 0.157 0.000 2.829 381 T HA 0.736 5.086 4.350 0.000 0.000 0.280 381 T C -0.654 174.093 174.700 0.078 0.000 0.999 381 T CA -0.439 61.703 62.100 0.070 0.000 0.983 381 T CB 0.877 69.857 68.868 0.187 0.000 0.968 381 T HN 0.662 nan 8.240 nan 0.000 0.446 382 H N 0.429 119.583 119.070 0.140 0.000 2.589 382 H HA 0.482 5.038 4.556 0.000 0.000 0.351 382 H C -0.415 174.901 175.328 -0.020 0.000 1.074 382 H CA -1.109 54.984 56.048 0.076 0.000 1.203 382 H CB 1.608 31.440 29.762 0.116 0.000 1.558 382 H HN 0.561 nan 8.280 nan 0.000 0.522 383 S N 1.790 117.475 115.700 -0.026 0.000 2.416 383 S HA -0.052 4.418 4.470 0.000 0.000 0.302 383 S C 1.511 175.950 174.600 -0.268 0.000 1.120 383 S CA -0.278 57.756 58.200 -0.276 0.000 1.067 383 S CB 0.507 63.311 63.200 -0.659 0.000 1.057 383 S HN 0.859 nan 8.310 nan 0.000 0.518 384 T N 2.149 116.667 114.554 -0.060 0.000 3.035 384 T HA -0.097 4.253 4.350 0.000 0.000 0.268 384 T C 0.753 175.468 174.700 0.025 0.000 1.109 384 T CA 0.691 62.816 62.100 0.042 0.000 1.119 384 T CB -0.463 68.488 68.868 0.139 0.000 0.900 384 T HN 0.811 nan 8.240 nan 0.000 0.503 388 L N -0.618 120.711 121.223 0.176 0.000 2.693 388 L HA 0.467 4.807 4.340 0.000 0.000 0.253 388 L C -0.055 176.882 176.870 0.112 0.000 1.155 388 L CA -0.676 54.260 54.840 0.159 0.000 1.026 388 L CB 0.848 43.021 42.059 0.191 0.000 1.817 388 L HN 0.067 nan 8.230 nan 0.000 0.556 389 N N 0.152 118.909 118.700 0.096 0.000 2.558 389 N HA 0.648 5.388 4.740 0.000 0.000 0.242 389 N C -1.214 174.339 175.510 0.071 0.000 0.979 389 N CA -0.148 52.944 53.050 0.071 0.000 0.931 389 N CB 1.611 40.123 38.487 0.042 0.000 1.122 389 N HN 0.595 nan 8.380 nan 0.000 0.508 390 A N 1.510 124.378 122.820 0.080 0.000 2.608 390 A HA 0.464 4.784 4.320 0.000 0.000 0.292 390 A C -1.194 176.437 177.584 0.078 0.000 1.066 390 A CA -0.709 51.372 52.037 0.073 0.000 0.676 390 A CB 0.842 19.899 19.000 0.095 0.000 1.277 390 A HN 0.450 nan 8.150 nan 0.000 0.413 391 L N 1.538 122.781 121.223 0.034 0.000 2.439 391 L HA 0.276 4.616 4.340 0.000 0.000 0.269 391 L C 0.944 177.795 176.870 -0.032 0.000 1.179 391 L CA -0.324 54.517 54.840 0.002 0.000 0.828 391 L CB 0.994 43.039 42.059 -0.025 0.000 1.106 391 L HN 0.800 nan 8.230 nan 0.000 0.467 392 S N 1.802 117.415 115.700 -0.144 0.000 2.554 392 S HA -0.070 4.400 4.470 0.000 0.000 0.290 392 S C 0.638 175.031 174.600 -0.344 0.000 1.309 392 S CA -0.027 57.880 58.200 -0.488 0.000 1.047 392 S CB 0.695 63.663 63.200 -0.387 0.000 0.828 392 S HN 0.813 nan 8.310 nan 0.000 0.509 393 Q N -2.145 117.379 119.800 -0.460 0.000 2.511 393 Q HA -0.208 4.132 4.340 0.000 0.000 0.151 393 Q C 0.176 176.165 176.000 -0.017 0.000 0.589 393 Q CA 0.956 56.666 55.803 -0.155 0.000 1.260 393 Q CB -1.635 27.044 28.738 -0.099 0.000 1.087 393 Q HN 0.914 nan 8.270 nan 0.000 1.060 394 A N 1.270 124.114 122.820 0.039 0.000 2.450 394 A HA 0.594 4.914 4.320 0.000 0.000 0.255 394 A C 0.154 177.774 177.584 0.060 0.000 1.096 394 A CA 0.935 52.994 52.037 0.036 0.000 0.778 394 A CB 1.186 20.204 19.000 0.029 0.000 1.031 394 A HN 0.242 nan 8.150 nan 0.000 0.494 395 S N 1.047 116.687 115.700 -0.100 0.000 2.588 395 S HA 0.720 5.190 4.470 0.000 0.000 0.269 395 S C -1.939 172.490 174.600 -0.285 0.000 1.157 395 S CA -0.462 57.680 58.200 -0.097 0.000 0.824 395 S CB 0.807 64.000 63.200 -0.011 0.000 1.126 395 S HN 0.585 nan 8.310 nan 0.000 0.464 396 Y N 1.000 121.264 120.300 -0.059 0.000 2.442 396 Y HA 0.585 5.135 4.550 0.000 0.000 0.344 396 Y C -0.361 175.388 175.900 -0.250 0.000 0.976 396 Y CA -0.716 57.253 58.100 -0.219 0.000 1.040 396 Y CB 1.599 39.697 38.460 -0.602 0.000 1.228 396 Y HN 0.568 nan 8.280 nan 0.000 0.451 397 I N 4.763 125.385 120.570 0.086 0.000 2.304 397 I HA 0.234 4.404 4.170 0.000 0.000 0.291 397 I C -0.499 175.637 176.117 0.032 0.000 1.018 397 I CA -0.383 60.971 61.300 0.089 0.000 1.260 397 I CB 0.339 38.455 38.000 0.193 0.000 1.390 397 I HN 0.483 nan 8.210 nan 0.000 0.475 398 H N 5.936 125.084 119.070 0.129 0.000 2.467 398 H HA 0.521 5.077 4.556 0.000 0.000 0.326 398 H C -0.686 174.681 175.328 0.066 0.000 1.094 398 H CA -0.515 55.574 56.048 0.068 0.000 1.253 398 H CB 2.005 31.736 29.762 -0.052 0.000 1.439 398 H HN 0.203 nan 8.280 nan 0.000 0.479 399 V N 4.472 124.472 119.914 0.143 0.000 2.540 399 V HA 0.394 4.514 4.120 0.000 0.000 0.302 399 V C 0.272 176.315 176.094 -0.085 0.000 1.035 399 V CA -0.889 61.359 62.300 -0.087 0.000 0.873 399 V CB 2.147 33.884 31.823 -0.142 0.000 0.992 399 V HN 0.639 nan 8.190 nan 0.000 0.428 400 R N 2.586 122.992 120.500 -0.157 0.000 2.343 400 R HA 0.448 4.788 4.340 0.000 0.000 0.320 400 R C -0.526 175.695 176.300 -0.131 0.000 0.956 400 R CA -0.548 55.505 56.100 -0.078 0.000 0.836 400 R CB 1.909 32.198 30.300 -0.018 0.000 1.151 400 R HN 0.735 nan 8.270 nan 0.000 0.450 401 E N 1.276 121.420 120.200 -0.092 0.000 2.259 401 E HA 0.248 4.598 4.350 0.000 0.000 0.281 401 E C 0.092 176.657 176.600 -0.059 0.000 1.037 401 E CA -0.196 56.107 56.400 -0.161 0.000 0.854 401 E CB 1.592 31.105 29.700 -0.311 0.000 1.051 401 E HN 0.766 nan 8.360 nan 0.000 0.409 402 G N 2.961 111.727 108.800 -0.056 0.000 3.265 402 G HA2 0.238 4.198 3.960 0.000 0.000 0.171 402 G HA3 0.238 4.198 3.960 0.000 0.000 0.171 402 G C -0.677 174.224 174.900 0.001 0.000 1.110 402 G CA -0.770 44.335 45.100 0.009 0.000 0.855 402 G HN 0.363 nan 8.290 nan 0.000 0.658 403 R N 0.268 120.778 120.500 0.017 0.000 2.442 403 R HA 0.424 4.764 4.340 0.000 0.000 0.291 403 R C 0.927 177.244 176.300 0.028 0.000 1.069 403 R CA 1.075 57.188 56.100 0.023 0.000 1.022 403 R CB 0.665 30.981 30.300 0.027 0.000 0.976 403 R HN 1.301 nan 8.270 nan 0.000 0.443 404 G N 1.501 110.321 108.800 0.034 0.000 2.160 404 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 404 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 404 G C 0.231 175.169 174.900 0.063 0.000 1.022 404 G CA 0.013 45.145 45.100 0.053 0.000 0.741 404 G HN 0.864 nan 8.290 nan 0.000 0.508 405 A N -0.498 122.340 122.820 0.030 0.000 2.483 405 A HA 0.610 4.930 4.320 0.000 0.000 0.238 405 A C 0.602 178.225 177.584 0.066 0.000 1.070 405 A CA 0.414 52.460 52.037 0.015 0.000 0.770 405 A CB 0.288 19.263 19.000 -0.043 0.000 1.008 405 A HN 0.930 nan 8.150 nan 0.000 0.497 406 I N 2.734 123.366 120.570 0.103 0.000 2.355 406 I HA 0.189 4.359 4.170 0.000 0.000 0.288 406 I C 0.049 176.264 176.117 0.163 0.000 0.999 406 I CA -0.793 60.605 61.300 0.164 0.000 1.163 406 I CB 1.240 39.416 38.000 0.295 0.000 1.316 406 I HN 0.856 nan 8.210 nan 0.000 0.454 407 N N 5.281 124.075 118.700 0.157 0.000 2.317 407 N HA 0.004 4.744 4.740 0.000 0.000 0.245 407 N C 0.713 176.397 175.510 0.289 0.000 1.294 407 N CA -0.247 52.916 53.050 0.187 0.000 0.924 407 N CB 0.487 39.062 38.487 0.147 0.000 1.186 407 N HN 0.539 nan 8.380 nan 0.000 0.495 408 F N 0.551 120.619 119.950 0.198 0.000 2.091 408 F HA -0.213 4.314 4.527 0.000 0.000 0.299 408 F C 2.032 178.005 175.800 0.288 0.000 1.103 408 F CA 2.099 60.268 58.000 0.281 0.000 1.228 408 F CB -0.540 38.534 39.000 0.123 0.000 0.984 408 F HN 0.491 nan 8.300 nan 0.000 0.477 409 S N 0.428 116.245 115.700 0.195 0.000 2.382 409 S HA -0.165 4.305 4.470 0.000 0.000 0.228 409 S C 1.960 176.558 174.600 -0.004 0.000 1.027 409 S CA 1.324 59.568 58.200 0.073 0.000 0.991 409 S CB -0.408 62.886 63.200 0.156 0.000 0.823 409 S HN 0.415 nan 8.310 nan 0.000 0.469 410 R N -0.032 120.502 120.500 0.057 0.000 2.057 410 R HA 0.061 4.401 4.340 0.000 0.000 0.229 410 R C 2.061 178.360 176.300 -0.000 0.000 1.136 410 R CA 1.351 57.475 56.100 0.039 0.000 0.952 410 R CB -0.454 29.896 30.300 0.083 0.000 0.848 410 R HN 0.368 nan 8.270 nan 0.000 0.430 411 F N 1.897 121.780 119.950 -0.112 0.000 2.234 411 F HA -0.126 4.401 4.527 0.000 0.000 0.299 411 F C 1.968 177.573 175.800 -0.325 0.000 1.087 411 F CA 1.274 59.132 58.000 -0.237 0.000 1.340 411 F CB -0.162 38.670 39.000 -0.279 0.000 1.031 411 F HN -0.039 nan 8.300 nan 0.000 0.500 412 N N -0.199 118.395 118.700 -0.178 0.000 2.453 412 N HA -0.152 4.588 4.740 0.000 0.000 0.183 412 N C 1.672 177.140 175.510 -0.070 0.000 1.041 412 N CA 0.808 53.784 53.050 -0.123 0.000 0.900 412 N CB -0.097 38.188 38.487 -0.335 0.000 0.961 412 N HN 0.264 nan 8.380 nan 0.000 0.443 413 Q N -0.103 119.615 119.800 -0.137 0.000 2.083 413 Q HA 0.061 4.401 4.340 0.000 0.000 0.198 413 Q C 2.019 177.910 176.000 -0.183 0.000 0.969 413 Q CA 1.332 57.064 55.803 -0.118 0.000 0.838 413 Q CB -0.681 27.995 28.738 -0.103 0.000 0.900 413 Q HN 0.451 nan 8.270 nan 0.000 0.436 414 A N 0.043 122.676 122.820 -0.311 0.000 1.933 414 A HA -0.206 4.114 4.320 0.000 0.000 0.218 414 A C 2.026 179.403 177.584 -0.344 0.000 1.175 414 A CA 1.301 53.104 52.037 -0.390 0.000 0.628 414 A CB -0.885 17.726 19.000 -0.649 0.000 0.814 414 A HN 0.406 nan 8.150 nan 0.000 0.444 415 Y N 0.035 120.046 120.300 -0.482 0.000 2.097 415 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 415 Y C 2.373 178.221 175.900 -0.085 0.000 1.152 415 Y CA 2.463 60.416 58.100 -0.244 0.000 1.136 415 Y CB -0.268 38.150 38.460 -0.071 0.000 0.975 415 Y HN 0.278 nan 8.280 nan 0.000 0.498 416 M N -0.953 118.711 119.600 0.106 0.000 2.296 416 M HA -0.172 4.308 4.480 0.000 0.000 0.265 416 M C 2.237 178.449 176.300 -0.146 0.000 1.064 416 M CA 1.488 56.810 55.300 0.036 0.000 1.109 416 M CB -0.195 32.453 32.600 0.080 0.000 1.396 416 M HN 0.460 nan 8.290 nan 0.000 0.430 417 M N -0.024 119.433 119.600 -0.238 0.000 2.144 417 M HA -0.218 4.262 4.480 0.000 0.000 0.260 417 M C 1.124 177.037 176.300 -0.646 0.000 1.067 417 M CA 1.859 56.902 55.300 -0.429 0.000 1.095 417 M CB -0.156 32.146 32.600 -0.496 0.000 1.365 417 M HN 0.198 nan 8.290 nan 0.000 0.406 418 H N -0.892 118.035 119.070 -0.240 0.000 2.475 418 H HA 0.580 5.136 4.556 0.000 0.000 0.276 418 H C -0.308 174.861 175.328 -0.264 0.000 1.126 418 H CA 0.239 56.144 56.048 -0.238 0.000 1.023 418 H CB -0.348 29.259 29.762 -0.259 0.000 1.669 418 H HN 0.388 nan 8.280 nan 0.000 0.573 419 A N 0.522 123.223 122.820 -0.199 0.000 2.309 419 A HA 0.540 4.860 4.320 0.000 0.000 0.317 419 A C 0.079 177.615 177.584 -0.080 0.000 1.134 419 A CA -0.583 51.352 52.037 -0.171 0.000 0.866 419 A CB 1.474 20.362 19.000 -0.187 0.000 1.329 419 A HN 0.165 nan 8.150 nan 0.000 0.477 420 T N -0.900 113.630 114.554 -0.040 0.000 2.855 420 T HA 0.432 4.782 4.350 0.000 0.000 0.281 420 T C 1.137 175.834 174.700 -0.006 0.000 1.007 420 T CA 0.270 62.357 62.100 -0.022 0.000 1.009 420 T CB 0.685 69.545 68.868 -0.013 0.000 0.983 420 T HN 0.890 nan 8.240 nan 0.000 0.455 421 T N 1.433 115.981 114.554 -0.010 0.000 3.098 421 T HA 0.073 4.423 4.350 0.000 0.000 0.266 421 T C 0.727 175.419 174.700 -0.013 0.000 1.145 421 T CA 0.143 62.240 62.100 -0.006 0.000 1.092 421 T CB -0.036 68.827 68.868 -0.007 0.000 0.908 421 T HN 0.430 nan 8.240 nan 0.000 0.526 422 S N 2.876 118.565 115.700 -0.018 0.000 2.062 422 S HA 0.358 4.828 4.470 0.000 0.000 0.163 422 S C -2.494 172.082 174.600 -0.040 0.000 1.612 422 S CA -1.184 56.992 58.200 -0.041 0.000 1.251 422 S CB 0.667 63.848 63.200 -0.031 0.000 1.174 422 S HN 0.415 nan 8.310 nan 0.000 0.428 423 P HA 0.163 nan 4.420 nan 0.000 0.272 423 P C -0.527 176.772 177.300 -0.003 0.000 1.230 423 P CA -0.660 62.464 63.100 0.041 0.000 0.788 423 P CB 0.602 32.392 31.700 0.149 0.000 0.949 424 L N 3.286 124.549 121.223 0.067 0.000 2.295 424 L HA 0.138 4.478 4.340 0.000 0.000 0.288 424 L C 0.774 177.784 176.870 0.233 0.000 1.079 424 L CA -0.287 54.600 54.840 0.078 0.000 0.830 424 L CB -0.666 41.430 42.059 0.061 0.000 1.200 424 L HN 0.194 nan 8.230 nan 0.000 0.438 425 Y N 3.538 123.933 120.300 0.158 0.000 2.465 425 Y HA -0.164 4.386 4.550 0.000 0.000 0.289 425 Y C 2.212 178.192 175.900 0.134 0.000 1.150 425 Y CA 0.763 58.982 58.100 0.199 0.000 1.293 425 Y CB -1.177 37.424 38.460 0.234 0.000 0.977 425 Y HN 0.780 nan 8.280 nan 0.000 0.556 426 A N 0.232 123.191 122.820 0.232 0.000 1.902 426 A HA -0.157 4.163 4.320 0.000 0.000 0.217 426 A C 2.329 179.957 177.584 0.074 0.000 1.181 426 A CA 1.626 53.730 52.037 0.111 0.000 0.623 426 A CB -0.929 18.086 19.000 0.026 0.000 0.818 426 A HN 0.424 nan 8.150 nan 0.000 0.443 427 I N -0.494 120.130 120.570 0.090 0.000 2.252 427 I HA -0.289 3.881 4.170 0.000 0.000 0.245 427 I C 2.402 178.567 176.117 0.080 0.000 1.102 427 I CA 1.069 62.405 61.300 0.060 0.000 1.385 427 I CB -0.586 37.445 38.000 0.052 0.000 1.064 427 I HN 0.367 nan 8.210 nan 0.000 0.414 428 C N 1.004 120.397 119.300 0.154 0.000 2.425 428 C HA -0.075 4.385 4.460 0.000 0.000 0.277 428 C C 3.219 178.268 174.990 0.097 0.000 1.280 428 C CA 0.664 59.776 59.018 0.156 0.000 1.744 428 C CB -1.357 26.556 27.740 0.288 0.000 1.989 428 C HN 0.585 nan 8.230 nan 0.000 0.491 429 A N 1.707 124.581 122.820 0.090 0.000 1.877 429 A HA -0.185 4.135 4.320 0.000 0.000 0.216 429 A C 2.357 179.923 177.584 -0.030 0.000 1.186 429 A CA 2.520 54.592 52.037 0.059 0.000 0.620 429 A CB -0.985 18.071 19.000 0.093 0.000 0.822 429 A HN 0.704 nan 8.150 nan 0.000 0.443 430 S N 0.081 115.755 115.700 -0.044 0.000 2.382 430 S HA -0.205 4.265 4.470 0.000 0.000 0.228 430 S C 1.807 176.420 174.600 0.021 0.000 1.027 430 S CA 1.533 59.701 58.200 -0.054 0.000 0.991 430 S CB -0.673 62.502 63.200 -0.042 0.000 0.823 430 S HN 0.502 nan 8.310 nan 0.000 0.469 431 N N 2.148 120.875 118.700 0.045 0.000 2.205 431 N HA -0.101 4.639 4.740 0.000 0.000 0.186 431 N C 1.380 177.018 175.510 0.212 0.000 1.015 431 N CA 1.560 54.658 53.050 0.079 0.000 0.862 431 N CB -0.664 37.793 38.487 -0.049 0.000 0.986 431 N HN 0.650 nan 8.380 nan 0.000 0.429 432 D N -0.937 119.572 120.400 0.181 0.000 2.162 432 D HA 0.005 4.645 4.640 0.000 0.000 0.205 432 D C 1.872 178.308 176.300 0.227 0.000 0.964 432 D CA 0.444 54.591 54.000 0.244 0.000 0.847 432 D CB 0.078 40.995 40.800 0.195 0.000 0.988 432 D HN -0.032 nan 8.370 nan 0.000 0.480 433 V N 0.879 120.869 119.914 0.126 0.000 2.407 433 V HA -0.207 3.913 4.120 0.000 0.000 0.248 433 V C 2.556 178.709 176.094 0.099 0.000 1.055 433 V CA 1.670 64.017 62.300 0.080 0.000 1.049 433 V CB -0.888 30.896 31.823 -0.065 0.000 0.662 433 V HN 0.313 nan 8.190 nan 0.000 0.455 434 A N -0.076 122.819 122.820 0.125 0.000 1.908 434 A HA -0.171 4.149 4.320 0.000 0.000 0.218 434 A C 2.393 180.085 177.584 0.179 0.000 1.181 434 A CA 2.174 54.301 52.037 0.150 0.000 0.627 434 A CB -0.671 18.449 19.000 0.199 0.000 0.818 434 A HN 0.356 nan 8.150 nan 0.000 0.445 435 V N -0.316 119.739 119.914 0.235 0.000 2.295 435 V HA -0.225 3.895 4.120 0.000 0.000 0.246 435 V C 2.813 178.906 176.094 -0.002 0.000 1.049 435 V CA 2.305 64.709 62.300 0.174 0.000 1.024 435 V CB -0.949 30.914 31.823 0.067 0.000 0.648 435 V HN 0.692 nan 8.190 nan 0.000 0.447 436 S N -0.450 115.336 115.700 0.143 0.000 2.370 436 S HA -0.262 4.208 4.470 0.000 0.000 0.226 436 S C 2.008 176.633 174.600 0.043 0.000 1.033 436 S CA 2.096 60.410 58.200 0.190 0.000 1.011 436 S CB -0.351 62.979 63.200 0.216 0.000 0.852 436 S HN 0.529 nan 8.310 nan 0.000 0.457 437 M N 0.125 119.723 119.600 -0.003 0.000 2.296 437 M HA -0.007 4.473 4.480 0.000 0.000 0.265 437 M C 1.595 177.789 176.300 -0.177 0.000 1.064 437 M CA 1.038 56.305 55.300 -0.055 0.000 1.109 437 M CB -0.240 32.340 32.600 -0.035 0.000 1.396 437 M HN 0.375 nan 8.290 nan 0.000 0.430 438 M N -0.851 118.550 119.600 -0.331 0.000 2.509 438 M HA 0.115 4.595 4.480 0.000 0.000 0.250 438 M C 0.082 176.020 176.300 -0.602 0.000 1.132 438 M CA 0.364 55.214 55.300 -0.751 0.000 1.080 438 M CB -0.948 30.758 32.600 -1.489 0.000 1.408 438 M HN -0.019 nan 8.290 nan 0.000 0.484 439 D N 1.485 121.706 120.400 -0.299 0.000 2.343 439 D HA 0.428 5.068 4.640 0.000 0.000 0.255 439 D C 0.951 177.216 176.300 -0.058 0.000 1.187 439 D CA 1.457 55.373 54.000 -0.139 0.000 0.875 439 D CB 0.653 41.459 40.800 0.011 0.000 1.136 439 D HN 0.477 nan 8.370 nan 0.000 0.469 440 G N 4.660 113.442 108.800 -0.030 0.000 2.512 440 G HA2 -0.334 3.626 3.960 0.000 0.000 0.240 440 G HA3 -0.334 3.626 3.960 0.000 0.000 0.240 440 G C 1.058 175.955 174.900 -0.006 0.000 1.246 440 G CA 0.133 45.232 45.100 -0.002 0.000 0.919 440 G HN 0.528 nan 8.290 nan 0.000 0.577 441 N N 1.113 119.816 118.700 0.005 0.000 2.149 441 N HA -0.153 4.587 4.740 0.000 0.000 0.188 441 N C 2.691 178.202 175.510 0.001 0.000 1.019 441 N CA 2.432 55.489 53.050 0.011 0.000 0.857 441 N CB -0.571 37.932 38.487 0.028 0.000 0.997 441 N HN 0.981 nan 8.380 nan 0.000 0.426 442 S N -0.273 115.420 115.700 -0.012 0.000 2.382 442 S HA -0.050 4.420 4.470 0.000 0.000 0.228 442 S C 2.203 176.764 174.600 -0.064 0.000 1.027 442 S CA 1.153 59.338 58.200 -0.024 0.000 0.991 442 S CB -1.080 62.109 63.200 -0.019 0.000 0.823 442 S HN 0.351 nan 8.310 nan 0.000 0.469 443 G N 2.528 111.255 108.800 -0.123 0.000 2.553 443 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 443 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 443 G C 1.368 176.256 174.900 -0.020 0.000 1.195 443 G CA 1.253 46.236 45.100 -0.195 0.000 0.779 443 G HN 0.499 nan 8.290 nan 0.000 0.577 444 L N 1.049 122.289 121.223 0.029 0.000 2.012 444 L HA -0.056 4.284 4.340 0.000 0.000 0.210 444 L C 2.902 179.785 176.870 0.022 0.000 1.073 444 L CA 2.843 57.709 54.840 0.044 0.000 0.748 444 L CB -0.806 41.272 42.059 0.032 0.000 0.891 444 L HN 0.288 nan 8.230 nan 0.000 0.431 445 S N -1.516 114.187 115.700 0.006 0.000 2.395 445 S HA -0.048 4.422 4.470 0.000 0.000 0.225 445 S C 2.013 176.614 174.600 0.002 0.000 1.027 445 S CA 0.882 59.084 58.200 0.003 0.000 0.965 445 S CB -0.305 62.898 63.200 0.004 0.000 0.812 445 S HN 0.481 nan 8.310 nan 0.000 0.482 446 L N 1.387 122.606 121.223 -0.006 0.000 2.027 446 L HA -0.058 4.282 4.340 0.000 0.000 0.206 446 L C 3.081 179.950 176.870 -0.002 0.000 1.074 446 L CA 1.754 56.590 54.840 -0.008 0.000 0.745 446 L CB -1.221 40.822 42.059 -0.027 0.000 0.898 446 L HN 0.528 nan 8.230 nan 0.000 0.433 447 T N -3.305 111.257 114.554 0.012 0.000 2.746 447 T HA -0.270 4.080 4.350 0.000 0.000 0.267 447 T C 1.791 176.496 174.700 0.010 0.000 1.039 447 T CA 1.285 63.401 62.100 0.027 0.000 1.142 447 T CB -0.295 68.652 68.868 0.132 0.000 0.866 447 T HN 0.108 nan 8.240 nan 0.000 0.444 448 Q N 1.628 121.433 119.800 0.008 0.000 2.084 448 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 448 Q C 2.238 178.229 176.000 -0.015 0.000 0.978 448 Q CA 2.068 57.861 55.803 -0.016 0.000 0.844 448 Q CB -0.504 28.225 28.738 -0.015 0.000 0.898 448 Q HN 0.804 nan 8.270 nan 0.000 0.426 449 E N -1.086 119.116 120.200 0.003 0.000 2.085 449 E HA -0.176 4.174 4.350 0.000 0.000 0.194 449 E C 1.707 178.331 176.600 0.040 0.000 0.994 449 E CA 1.630 58.044 56.400 0.024 0.000 0.801 449 E CB 0.065 29.785 29.700 0.032 0.000 0.743 449 E HN 0.311 nan 8.360 nan 0.000 0.453 450 V N 1.094 121.023 119.914 0.025 0.000 2.343 450 V HA -0.262 3.858 4.120 0.000 0.000 0.247 450 V C 2.395 178.479 176.094 -0.016 0.000 1.051 450 V CA 1.678 64.005 62.300 0.045 0.000 1.036 450 V CB -0.513 31.305 31.823 -0.007 0.000 0.654 450 V HN 0.303 nan 8.190 nan 0.000 0.451 451 I N 0.469 120.995 120.570 -0.073 0.000 2.179 451 I HA -0.225 3.945 4.170 0.000 0.000 0.242 451 I C 2.364 178.406 176.117 -0.124 0.000 1.088 451 I CA 1.726 62.936 61.300 -0.150 0.000 1.357 451 I CB -0.590 37.295 38.000 -0.191 0.000 1.051 451 I HN 0.277 nan 8.210 nan 0.000 0.409 452 D N 0.635 120.998 120.400 -0.062 0.000 2.158 452 D HA -0.183 4.457 4.640 0.000 0.000 0.197 452 D C 2.151 178.446 176.300 -0.009 0.000 0.995 452 D CA 1.129 55.111 54.000 -0.031 0.000 0.846 452 D CB -0.255 40.546 40.800 0.003 0.000 0.941 452 D HN 0.336 nan 8.370 nan 0.000 0.456 453 E N 0.580 120.804 120.200 0.041 0.000 2.028 453 E HA -0.043 4.307 4.350 0.000 0.000 0.190 453 E C 2.184 178.695 176.600 -0.148 0.000 0.984 453 E CA 0.804 57.295 56.400 0.151 0.000 0.800 453 E CB -0.392 29.535 29.700 0.380 0.000 0.758 453 E HN 0.191 nan 8.360 nan 0.000 0.448 454 A N 1.248 123.780 122.820 -0.479 0.000 1.873 454 A HA -0.200 4.120 4.320 0.000 0.000 0.218 454 A C 2.642 179.962 177.584 -0.439 0.000 1.193 454 A CA 2.018 53.472 52.037 -0.972 0.000 0.629 454 A CB -0.959 17.604 19.000 -0.729 0.000 0.826 454 A HN 0.146 nan 8.150 nan 0.000 0.447 455 V N 0.517 120.297 119.914 -0.225 0.000 2.343 455 V HA -0.258 3.862 4.120 0.000 0.000 0.247 455 V C 2.221 178.221 176.094 -0.157 0.000 1.051 455 V CA 2.349 64.610 62.300 -0.066 0.000 1.036 455 V CB -0.883 30.932 31.823 -0.013 0.000 0.654 455 V HN 0.514 nan 8.190 nan 0.000 0.451 456 D N -0.507 119.752 120.400 -0.235 0.000 2.123 456 D HA -0.193 4.447 4.640 0.000 0.000 0.196 456 D C 1.875 177.721 176.300 -0.756 0.000 0.992 456 D CA 1.330 55.125 54.000 -0.341 0.000 0.833 456 D CB -0.328 40.385 40.800 -0.144 0.000 0.954 456 D HN 0.437 nan 8.370 nan 0.000 0.455 457 F N 1.930 121.168 119.950 -1.187 0.000 2.102 457 F HA -0.119 4.408 4.527 0.000 0.000 0.298 457 F C 2.281 177.817 175.800 -0.440 0.000 1.105 457 F CA 1.403 58.750 58.000 -1.089 0.000 1.239 457 F CB -0.218 38.414 39.000 -0.614 0.000 0.991 457 F HN -0.184 nan 8.300 nan 0.000 0.474 458 R N -0.164 120.119 120.500 -0.362 0.000 2.081 458 R HA -0.181 4.159 4.340 0.000 0.000 0.235 458 R C 2.309 178.589 176.300 -0.032 0.000 1.131 458 R CA 1.831 57.794 56.100 -0.227 0.000 0.960 458 R CB -0.584 29.752 30.300 0.060 0.000 0.856 458 R HN 0.452 nan 8.270 nan 0.000 0.436 459 Q N -0.164 119.662 119.800 0.043 0.000 2.119 459 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 459 Q C 2.226 178.214 176.000 -0.021 0.000 0.972 459 Q CA 1.248 57.081 55.803 0.049 0.000 0.847 459 Q CB -0.035 28.652 28.738 -0.085 0.000 0.903 459 Q HN 0.366 nan 8.270 nan 0.000 0.433 460 A N 0.791 123.536 122.820 -0.125 0.000 1.908 460 A HA -0.203 4.118 4.320 0.000 0.000 0.218 460 A C 2.017 179.624 177.584 0.038 0.000 1.181 460 A CA 1.349 53.372 52.037 -0.023 0.000 0.627 460 A CB -0.326 18.663 19.000 -0.019 0.000 0.818 460 A HN 0.240 nan 8.150 nan 0.000 0.445 461 M N -0.636 118.916 119.600 -0.080 0.000 2.156 461 M HA -0.016 4.464 4.480 0.000 0.000 0.264 461 M C 2.533 178.937 176.300 0.172 0.000 1.067 461 M CA 1.494 56.822 55.300 0.046 0.000 1.131 461 M CB -1.574 30.882 32.600 -0.240 0.000 1.368 461 M HN 0.471 nan 8.290 nan 0.000 0.416 462 A N 0.199 123.066 122.820 0.079 0.000 1.933 462 A HA -0.165 4.155 4.320 0.000 0.000 0.218 462 A C 2.354 180.058 177.584 0.199 0.000 1.175 462 A CA 1.545 53.669 52.037 0.144 0.000 0.628 462 A CB -0.562 18.524 19.000 0.143 0.000 0.814 462 A HN 0.451 nan 8.150 nan 0.000 0.444 463 R N -0.744 119.838 120.500 0.136 0.000 2.073 463 R HA 0.066 4.406 4.340 0.000 0.000 0.229 463 R C 2.032 178.382 176.300 0.082 0.000 1.120 463 R CA 1.264 57.420 56.100 0.094 0.000 0.967 463 R CB -0.408 29.924 30.300 0.054 0.000 0.862 463 R HN 0.488 nan 8.270 nan 0.000 0.436 464 L N -0.740 120.551 121.223 0.113 0.000 2.056 464 L HA -0.192 4.148 4.340 0.000 0.000 0.207 464 L C 2.311 179.279 176.870 0.164 0.000 1.078 464 L CA 1.146 56.007 54.840 0.035 0.000 0.749 464 L CB -0.433 41.626 42.059 0.001 0.000 0.901 464 L HN 0.203 nan 8.230 nan 0.000 0.433 465 Y N 0.856 121.311 120.300 0.258 0.000 2.224 465 Y HA -0.297 4.253 4.550 0.000 0.000 0.289 465 Y C 2.642 178.655 175.900 0.189 0.000 1.146 465 Y CA 1.701 59.997 58.100 0.327 0.000 1.182 465 Y CB -0.052 38.581 38.460 0.289 0.000 0.983 465 Y HN -0.006 nan 8.280 nan 0.000 0.524 466 K N 0.129 120.609 120.400 0.135 0.000 2.057 466 K HA -0.230 4.090 4.320 0.000 0.000 0.206 466 K C 2.254 178.813 176.600 -0.069 0.000 1.050 466 K CA 1.653 57.951 56.287 0.019 0.000 0.935 466 K CB -0.202 32.344 32.500 0.077 0.000 0.715 466 K HN 0.500 nan 8.250 nan 0.000 0.439 467 E N -0.367 119.781 120.200 -0.086 0.000 2.106 467 E HA -0.166 4.184 4.350 0.000 0.000 0.192 467 E C 1.767 178.221 176.600 -0.244 0.000 0.984 467 E CA 0.964 57.255 56.400 -0.182 0.000 0.806 467 E CB -0.063 29.487 29.700 -0.250 0.000 0.750 467 E HN 0.255 nan 8.360 nan 0.000 0.458 468 F N 0.894 120.706 119.950 -0.230 0.000 2.146 468 F HA -0.145 4.382 4.527 0.000 0.000 0.298 468 F C 2.647 178.317 175.800 -0.217 0.000 1.096 468 F CA 1.506 59.359 58.000 -0.245 0.000 1.275 468 F CB -0.324 38.493 39.000 -0.306 0.000 1.008 468 F HN 0.047 nan 8.300 nan 0.000 0.480 469 T N -0.074 114.414 114.554 -0.109 0.000 2.622 469 T HA -0.255 4.096 4.350 0.000 0.000 0.266 469 T C 2.235 176.887 174.700 -0.079 0.000 1.047 469 T CA 1.446 63.443 62.100 -0.172 0.000 1.159 469 T CB -0.762 67.886 68.868 -0.367 0.000 0.863 469 T HN 0.304 nan 8.240 nan 0.000 0.422 470 A N 1.197 123.969 122.820 -0.080 0.000 2.093 470 A HA -0.184 4.136 4.320 0.000 0.000 0.222 470 A C 1.963 179.521 177.584 -0.043 0.000 1.162 470 A CA 1.930 53.935 52.037 -0.054 0.000 0.655 470 A CB -0.478 18.486 19.000 -0.059 0.000 0.805 470 A HN 0.431 nan 8.150 nan 0.000 0.461 471 D N -1.823 118.551 120.400 -0.044 0.000 2.363 471 D HA 0.281 4.921 4.640 0.000 0.000 0.214 471 D C 1.096 177.403 176.300 0.012 0.000 1.093 471 D CA 0.762 54.745 54.000 -0.029 0.000 0.837 471 D CB -0.265 40.496 40.800 -0.065 0.000 0.948 471 D HN 0.533 nan 8.370 nan 0.000 0.507 472 G N 0.608 109.418 108.800 0.018 0.000 2.246 472 G HA2 -0.213 3.747 3.960 0.000 0.000 0.273 472 G HA3 -0.213 3.747 3.960 0.000 0.000 0.273 472 G C 0.113 175.061 174.900 0.080 0.000 1.055 472 G CA 0.681 45.806 45.100 0.040 0.000 0.851 472 G HN 0.470 nan 8.290 nan 0.000 0.500 473 S N -0.391 115.367 115.700 0.096 0.000 2.540 473 S HA 0.688 5.158 4.470 0.000 0.000 0.275 473 S C 0.300 174.947 174.600 0.078 0.000 1.123 473 S CA -0.321 57.955 58.200 0.126 0.000 0.907 473 S CB 0.914 64.202 63.200 0.148 0.000 1.081 473 S HN 1.100 nan 8.310 nan 0.000 0.476 474 W N 4.215 125.491 121.300 -0.039 0.000 2.049 474 W HA 0.665 5.325 4.660 0.000 0.000 0.356 474 W C -1.245 175.198 176.519 -0.127 0.000 1.323 474 W CA -0.644 56.647 57.345 -0.090 0.000 1.336 474 W CB -0.090 29.288 29.460 -0.137 0.000 1.176 474 W HN 0.549 nan 8.180 nan 0.000 0.623 475 F N 0.052 119.886 119.950 -0.192 0.000 2.773 475 F HA 0.467 4.994 4.527 0.000 0.000 0.314 475 F C -1.185 174.645 175.800 0.050 0.000 1.160 475 F CA -2.333 55.383 58.000 -0.473 0.000 0.920 475 F CB 0.771 39.528 39.000 -0.405 0.000 1.323 475 F HN 0.170 nan 8.300 nan 0.000 0.457 476 F N 2.535 122.098 119.950 -0.646 0.000 2.406 476 F HA 0.476 5.003 4.527 0.000 0.000 0.327 476 F C 0.105 175.844 175.800 -0.101 0.000 1.153 476 F CA -0.086 57.724 58.000 -0.317 0.000 1.218 476 F CB 0.635 39.338 39.000 -0.495 0.000 1.215 476 F HN 0.319 nan 8.300 nan 0.000 0.570 477 K N 1.605 122.004 120.400 -0.002 0.000 2.508 477 K HA 0.579 4.899 4.320 0.000 0.000 0.260 477 K C -3.423 173.085 176.600 -0.154 0.000 0.949 477 K CA -2.090 54.068 56.287 -0.214 0.000 0.834 477 K CB 2.488 34.476 32.500 -0.854 0.000 1.365 477 K HN 0.164 nan 8.250 nan 0.000 0.437 478 P HA 0.023 nan 4.420 nan 0.000 0.278 478 P C -1.137 176.084 177.300 -0.133 0.000 1.238 478 P CA -0.255 62.739 63.100 -0.177 0.000 0.794 478 P CB 0.379 31.890 31.700 -0.315 0.000 0.955 479 W N 6.237 127.410 121.300 -0.213 0.000 2.497 479 W HA 0.210 4.870 4.660 0.000 0.000 0.354 479 W C -0.201 176.229 176.519 -0.148 0.000 1.111 479 W CA 0.291 57.553 57.345 -0.140 0.000 1.510 479 W CB -0.550 28.857 29.460 -0.089 0.000 1.466 479 W HN 0.434 nan 8.180 nan 0.000 0.409 480 N N 3.348 121.686 118.700 -0.602 0.000 3.308 480 N HA 0.195 4.935 4.740 0.000 0.000 0.276 480 N C -1.436 173.090 175.510 -1.640 0.000 1.533 480 N CA -1.209 51.148 53.050 -1.154 0.000 0.878 480 N CB 0.994 38.843 38.487 -1.064 0.000 1.566 480 N HN 0.156 nan 8.380 nan 0.000 0.546 481 K N 0.439 119.507 120.400 -2.220 0.000 2.527 481 K HA -0.055 4.265 4.320 0.000 0.000 0.278 481 K C 0.622 176.713 176.600 -0.849 0.000 0.981 481 K CA 0.645 55.818 56.287 -1.857 0.000 1.009 481 K CB 0.536 32.340 32.500 -1.159 0.000 0.895 481 K HN 0.504 nan 8.250 nan 0.000 0.493 482 E N 1.353 121.265 120.200 -0.478 0.000 2.086 482 E HA -0.016 4.334 4.350 0.000 0.000 0.190 482 E C -0.372 176.189 176.600 -0.065 0.000 0.975 482 E CA 0.499 56.792 56.400 -0.179 0.000 0.813 482 E CB 0.497 30.174 29.700 -0.039 0.000 0.768 482 E HN 0.232 nan 8.360 nan 0.000 0.457 483 V N 1.506 121.383 119.914 -0.061 0.000 2.577 483 V HA 0.317 4.437 4.120 0.000 0.000 0.303 483 V C -0.557 175.525 176.094 -0.020 0.000 1.042 483 V CA -0.733 61.564 62.300 -0.005 0.000 0.872 483 V CB 2.064 33.900 31.823 0.021 0.000 0.998 483 V HN -0.130 nan 8.190 nan 0.000 0.423 484 V N 3.443 123.358 119.914 0.002 0.000 2.864 484 V HA 0.695 4.815 4.120 0.000 0.000 0.314 484 V C -0.099 176.032 176.094 0.063 0.000 1.073 484 V CA -0.216 62.072 62.300 -0.021 0.000 0.956 484 V CB 2.889 34.643 31.823 -0.114 0.000 1.023 484 V HN 0.969 nan 8.190 nan 0.000 0.435 485 T N 2.431 117.014 114.554 0.049 0.000 2.841 485 T HA 0.267 4.617 4.350 0.000 0.000 0.285 485 T C -0.869 173.880 174.700 0.082 0.000 0.991 485 T CA -0.395 61.749 62.100 0.073 0.000 0.966 485 T CB 1.230 70.123 68.868 0.041 0.000 0.962 485 T HN 0.716 nan 8.240 nan 0.000 0.438 486 D N 4.389 124.870 120.400 0.136 0.000 2.358 486 D HA 0.135 4.775 4.640 0.000 0.000 0.258 486 D C -1.267 175.068 176.300 0.059 0.000 1.223 486 D CA -2.020 52.043 54.000 0.105 0.000 0.886 486 D CB 1.384 42.290 40.800 0.177 0.000 1.120 486 D HN 0.151 nan 8.370 nan 0.000 0.482 487 P HA -0.015 nan 4.420 nan 0.000 0.249 487 P C 0.860 178.176 177.300 0.026 0.000 1.229 487 P CA 0.586 63.706 63.100 0.033 0.000 0.788 487 P CB 0.687 32.408 31.700 0.036 0.000 1.072 488 Q N 0.204 120.021 119.800 0.027 0.000 1.967 488 Q HA -0.009 4.331 4.340 0.000 0.000 0.196 488 Q C 1.467 177.478 176.000 0.019 0.000 0.978 488 Q CA 1.449 57.264 55.803 0.020 0.000 0.833 488 Q CB -0.682 28.067 28.738 0.019 0.000 0.898 488 Q HN 0.272 nan 8.270 nan 0.000 0.446 489 T N -2.576 111.993 114.554 0.026 0.000 2.681 489 T HA 0.173 4.523 4.350 0.000 0.000 0.333 489 T C 0.959 175.666 174.700 0.013 0.000 1.049 489 T CA -0.020 62.091 62.100 0.018 0.000 1.002 489 T CB 0.619 69.503 68.868 0.028 0.000 1.161 489 T HN 0.316 nan 8.240 nan 0.000 0.519 490 G N -0.838 107.959 108.800 -0.005 0.000 3.651 490 G HA2 0.242 4.202 3.960 0.000 0.000 0.279 490 G HA3 0.242 4.202 3.960 0.000 0.000 0.279 490 G C 0.159 175.033 174.900 -0.043 0.000 1.024 490 G CA -0.514 44.578 45.100 -0.014 0.000 0.813 490 G HN 0.798 nan 8.290 nan 0.000 0.518 491 K N 0.628 120.993 120.400 -0.058 0.000 2.355 491 K HA 0.381 4.701 4.320 0.000 0.000 0.270 491 K C -0.432 176.000 176.600 -0.279 0.000 1.003 491 K CA 0.203 56.376 56.287 -0.190 0.000 0.957 491 K CB 0.557 32.934 32.500 -0.204 0.000 0.939 491 K HN 0.020 nan 8.250 nan 0.000 0.482 492 T N 2.638 116.920 114.554 -0.453 0.000 2.885 492 T HA 0.532 4.882 4.350 0.000 0.000 0.285 492 T C -1.706 172.664 174.700 -0.550 0.000 1.019 492 T CA -0.440 61.469 62.100 -0.320 0.000 1.010 492 T CB 0.344 69.117 68.868 -0.159 0.000 1.022 492 T HN 0.415 nan 8.240 nan 0.000 0.466 493 Y N 0.948 121.219 120.300 -0.049 0.000 2.504 493 Y HA 0.343 4.893 4.550 0.000 0.000 0.344 493 Y C 0.056 175.927 175.900 -0.049 0.000 1.023 493 Y CA -1.379 56.688 58.100 -0.056 0.000 1.020 493 Y CB 1.254 39.662 38.460 -0.086 0.000 1.282 493 Y HN 0.498 nan 8.280 nan 0.000 0.454 494 D N 1.710 122.188 120.400 0.129 0.000 2.423 494 D HA -0.041 4.599 4.640 0.000 0.000 0.238 494 D C 0.789 177.144 176.300 0.093 0.000 1.142 494 D CA 0.253 54.311 54.000 0.097 0.000 0.884 494 D CB 0.676 41.528 40.800 0.088 0.000 1.199 494 D HN 0.608 nan 8.370 nan 0.000 0.438 495 F N 2.042 121.935 119.950 -0.095 0.000 2.120 495 F HA -0.266 4.261 4.527 0.000 0.000 0.300 495 F C 2.155 177.881 175.800 -0.123 0.000 1.095 495 F CA 1.972 59.872 58.000 -0.167 0.000 1.249 495 F CB 0.101 38.952 39.000 -0.250 0.000 0.995 495 F HN 0.446 nan 8.300 nan 0.000 0.480 496 A N -0.622 122.290 122.820 0.152 0.000 2.024 496 A HA -0.191 4.129 4.320 0.000 0.000 0.220 496 A C 1.692 179.259 177.584 -0.029 0.000 1.164 496 A CA 2.030 54.108 52.037 0.068 0.000 0.643 496 A CB -0.646 18.414 19.000 0.101 0.000 0.806 496 A HN 0.495 nan 8.150 nan 0.000 0.451 497 D N -0.659 119.726 120.400 -0.024 0.000 2.379 497 D HA 0.314 4.955 4.640 0.000 0.000 0.208 497 D C 0.750 176.967 176.300 -0.138 0.000 1.065 497 D CA 0.629 54.617 54.000 -0.021 0.000 0.848 497 D CB 0.033 40.883 40.800 0.084 0.000 0.949 497 D HN 0.402 nan 8.370 nan 0.000 0.509 498 A N 2.237 124.893 122.820 -0.275 0.000 2.462 498 A HA 0.360 4.680 4.320 0.000 0.000 0.243 498 A C -2.283 174.976 177.584 -0.542 0.000 1.076 498 A CA -0.831 50.864 52.037 -0.571 0.000 0.773 498 A CB -0.036 18.654 19.000 -0.517 0.000 1.010 498 A HN -0.125 nan 8.150 nan 0.000 0.493 499 P HA 0.081 nan 4.420 nan 0.000 0.268 499 P C 1.188 178.295 177.300 -0.322 0.000 1.204 499 P CA 0.403 63.267 63.100 -0.393 0.000 0.768 499 P CB 0.666 32.149 31.700 -0.361 0.000 0.842 500 T N 0.798 115.211 114.554 -0.235 0.000 2.821 500 T HA -0.194 4.156 4.350 0.000 0.000 0.267 500 T C 1.646 176.251 174.700 -0.159 0.000 1.046 500 T CA 1.117 63.092 62.100 -0.208 0.000 1.139 500 T CB -0.581 68.199 68.868 -0.147 0.000 0.871 500 T HN 0.272 nan 8.240 nan 0.000 0.454 501 K N 0.066 120.386 120.400 -0.133 0.000 2.211 501 K HA -0.016 4.304 4.320 0.000 0.000 0.204 501 K C 2.117 178.659 176.600 -0.097 0.000 1.047 501 K CA 1.020 57.248 56.287 -0.098 0.000 0.935 501 K CB -0.351 32.099 32.500 -0.082 0.000 0.728 501 K HN 0.363 nan 8.250 nan 0.000 0.452 502 L N 0.870 122.006 121.223 -0.145 0.000 2.056 502 L HA -0.092 4.248 4.340 0.000 0.000 0.207 502 L C 1.706 178.519 176.870 -0.096 0.000 1.078 502 L CA 1.537 56.298 54.840 -0.131 0.000 0.749 502 L CB -0.244 41.693 42.059 -0.205 0.000 0.901 502 L HN 0.179 nan 8.230 nan 0.000 0.433 503 L N -0.788 120.346 121.223 -0.147 0.000 2.093 503 L HA -0.140 4.200 4.340 0.000 0.000 0.208 503 L C 2.342 179.349 176.870 0.228 0.000 1.085 503 L CA 1.628 56.441 54.840 -0.045 0.000 0.755 503 L CB -1.087 40.809 42.059 -0.271 0.000 0.904 503 L HN 0.501 nan 8.230 nan 0.000 0.435 504 T N -5.398 109.184 114.554 0.047 0.000 3.081 504 T HA -0.032 4.318 4.350 0.000 0.000 0.255 504 T C 1.436 176.111 174.700 -0.041 0.000 1.113 504 T CA 0.991 63.088 62.100 -0.005 0.000 1.082 504 T CB -0.139 68.697 68.868 -0.053 0.000 0.939 504 T HN 0.424 nan 8.240 nan 0.000 0.506 505 T N -1.574 112.977 114.554 -0.006 0.000 2.986 505 T HA 0.401 4.751 4.350 0.000 0.000 0.264 505 T C 0.160 174.861 174.700 0.002 0.000 0.964 505 T CA -0.298 61.785 62.100 -0.029 0.000 0.895 505 T CB 0.111 68.960 68.868 -0.032 0.000 1.163 505 T HN 0.165 nan 8.240 nan 0.000 0.517 506 V N 2.976 122.924 119.914 0.057 0.000 2.347 506 V HA 0.379 4.499 4.120 0.000 0.000 0.280 506 V C 1.438 177.627 176.094 0.159 0.000 1.021 506 V CA -0.602 61.739 62.300 0.069 0.000 0.847 506 V CB 1.452 33.295 31.823 0.034 0.000 0.990 506 V HN 0.412 nan 8.190 nan 0.000 0.444 507 Q N 2.848 122.715 119.800 0.111 0.000 2.167 507 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 507 Q C 1.508 177.606 176.000 0.162 0.000 0.970 507 Q CA 2.231 58.116 55.803 0.136 0.000 0.855 507 Q CB 0.132 28.894 28.738 0.039 0.000 0.911 507 Q HN 0.944 nan 8.270 nan 0.000 0.438 508 D N -0.515 119.948 120.400 0.105 0.000 2.178 508 D HA -0.146 4.494 4.640 0.000 0.000 0.201 508 D C 1.359 177.653 176.300 -0.009 0.000 0.980 508 D CA 1.214 55.267 54.000 0.087 0.000 0.842 508 D CB -0.133 40.742 40.800 0.125 0.000 0.948 508 D HN 0.393 nan 8.370 nan 0.000 0.472 509 C N -0.462 118.771 119.300 -0.111 0.000 2.413 509 C HA -0.060 4.400 4.460 0.000 0.000 0.292 509 C C 1.484 175.979 174.990 -0.826 0.000 1.435 509 C CA 0.269 59.004 59.018 -0.472 0.000 1.791 509 C CB -1.677 25.684 27.740 -0.631 0.000 1.784 509 C HN 0.555 nan 8.230 nan 0.000 0.548 510 W N -1.676 119.572 121.300 -0.088 0.000 2.865 510 W HA 0.361 5.021 4.660 0.000 0.000 0.300 510 W C 0.496 177.013 176.519 -0.002 0.000 1.096 510 W CA -0.190 57.103 57.345 -0.088 0.000 1.524 510 W CB -0.441 28.953 29.460 -0.111 0.000 0.991 510 W HN -0.262 nan 8.180 nan 0.000 0.571 511 V N 3.032 122.988 119.914 0.071 0.000 2.585 511 V HA -0.049 4.071 4.120 0.000 0.000 0.296 511 V C 0.500 176.539 176.094 -0.091 0.000 1.035 511 V CA 0.276 62.544 62.300 -0.052 0.000 1.084 511 V CB 0.318 32.025 31.823 -0.194 0.000 0.953 511 V HN -0.006 nan 8.190 nan 0.000 0.483 512 M N 6.230 125.799 119.600 -0.051 0.000 2.264 512 M HA 0.279 4.759 4.480 0.000 0.000 0.340 512 M C -0.217 175.986 176.300 -0.162 0.000 1.420 512 M CA -0.010 55.178 55.300 -0.187 0.000 1.254 512 M CB -0.206 32.059 32.600 -0.559 0.000 1.575 512 M HN 0.612 nan 8.290 nan 0.000 0.452 513 H N 3.019 122.206 119.070 0.196 0.000 2.511 513 H HA 0.362 4.918 4.556 0.000 0.000 0.346 513 H C -2.258 173.207 175.328 0.229 0.000 1.128 513 H CA -2.310 53.845 56.048 0.178 0.000 1.342 513 H CB 0.483 30.350 29.762 0.176 0.000 1.470 513 H HN 0.315 nan 8.280 nan 0.000 0.546 514 P HA 0.049 nan 4.420 nan 0.000 0.265 514 P C 1.011 178.402 177.300 0.153 0.000 1.193 514 P CA 1.139 64.346 63.100 0.179 0.000 0.765 514 P CB 0.644 32.398 31.700 0.090 0.000 0.823 515 G N 2.345 111.206 108.800 0.103 0.000 2.611 515 G HA2 -0.204 3.756 3.960 0.000 0.000 0.208 515 G HA3 -0.204 3.756 3.960 0.000 0.000 0.208 515 G C -0.183 174.733 174.900 0.027 0.000 1.201 515 G CA -0.437 44.699 45.100 0.059 0.000 0.739 515 G HN 0.560 nan 8.290 nan 0.000 0.528 516 E N 1.672 121.914 120.200 0.069 0.000 2.480 516 E HA 0.362 4.712 4.350 0.000 0.000 0.258 516 E C 1.339 177.740 176.600 -0.332 0.000 0.984 516 E CA 0.477 56.887 56.400 0.018 0.000 0.930 516 E CB 0.889 30.724 29.700 0.225 0.000 0.936 516 E HN 0.601 nan 8.360 nan 0.000 0.466 517 S N 3.982 119.568 115.700 -0.189 0.000 2.535 517 S HA -0.038 4.432 4.470 0.000 0.000 0.214 517 S C 1.435 175.886 174.600 -0.249 0.000 0.980 517 S CA -0.661 57.386 58.200 -0.255 0.000 0.907 517 S CB -0.154 62.997 63.200 -0.082 0.000 0.790 517 S HN 0.810 nan 8.310 nan 0.000 0.510 518 W N 3.661 124.843 121.300 -0.196 0.000 2.358 518 W HA -0.183 4.477 4.660 0.000 0.000 0.303 518 W C 1.741 178.312 176.519 0.087 0.000 1.208 518 W CA 1.439 58.752 57.345 -0.053 0.000 1.274 518 W CB -1.543 27.849 29.460 -0.113 0.000 1.138 518 W HN 0.671 nan 8.180 nan 0.000 0.515 519 H N -0.707 117.751 119.070 -1.021 0.000 2.470 519 H HA 0.268 4.824 4.556 0.000 0.000 0.289 519 H C 2.010 176.933 175.328 -0.676 0.000 1.033 519 H CA 0.928 56.385 56.048 -0.985 0.000 1.331 519 H CB -1.168 27.627 29.762 -1.613 0.000 1.414 519 H HN 0.196 nan 8.280 nan 0.000 0.545 520 G N -0.113 108.342 108.800 -0.575 0.000 2.176 520 G HA2 -0.278 3.682 3.960 0.000 0.000 0.252 520 G HA3 -0.278 3.682 3.960 0.000 0.000 0.252 520 G C -0.555 174.208 174.900 -0.228 0.000 1.024 520 G CA 0.281 45.167 45.100 -0.356 0.000 0.755 520 G HN 0.347 nan 8.290 nan 0.000 0.507 521 F N 0.981 121.128 119.950 0.328 0.000 2.293 521 F HA 0.438 4.965 4.527 0.000 0.000 0.370 521 F C 0.891 176.862 175.800 0.285 0.000 1.090 521 F CA -1.622 56.559 58.000 0.301 0.000 1.133 521 F CB 1.164 40.343 39.000 0.298 0.000 1.360 521 F HN 0.000 nan 8.300 nan 0.000 0.489 522 K N 3.521 124.141 120.400 0.367 0.000 2.491 522 K HA -0.074 4.246 4.320 0.000 0.000 0.279 522 K C 0.264 177.028 176.600 0.274 0.000 1.026 522 K CA 0.719 57.151 56.287 0.241 0.000 1.070 522 K CB 0.222 32.822 32.500 0.167 0.000 0.887 522 K HN 0.661 nan 8.250 nan 0.000 0.481 523 D N 1.593 122.081 120.400 0.146 0.000 2.983 523 D HA -0.272 4.368 4.640 0.000 0.000 0.225 523 D C 0.228 176.429 176.300 -0.165 0.000 1.174 523 D CA 0.828 54.855 54.000 0.045 0.000 0.831 523 D CB -1.323 39.523 40.800 0.077 0.000 1.104 523 D HN 0.611 nan 8.370 nan 0.000 0.421 524 I N 0.993 121.442 120.570 -0.201 0.000 2.826 524 I HA 0.008 4.179 4.170 0.000 0.000 0.295 524 I C -1.762 174.126 176.117 -0.381 0.000 1.213 524 I CA -0.690 60.256 61.300 -0.591 0.000 1.436 524 I CB 0.691 38.610 38.000 -0.135 0.000 1.348 524 I HN -0.231 nan 8.210 nan 0.000 0.570 525 P HA 0.113 nan 4.420 nan 0.000 0.272 525 P C -1.114 176.155 177.300 -0.051 0.000 1.223 525 P CA -0.281 62.665 63.100 -0.257 0.000 0.784 525 P CB 0.441 31.916 31.700 -0.376 0.000 0.923 526 D N 1.188 121.606 120.400 0.030 0.000 2.357 526 D HA 0.010 4.650 4.640 0.000 0.000 0.242 526 D C 0.661 177.079 176.300 0.197 0.000 1.153 526 D CA 0.306 54.394 54.000 0.146 0.000 0.918 526 D CB -0.140 40.744 40.800 0.139 0.000 1.181 526 D HN 0.419 nan 8.370 nan 0.000 0.435 527 N N 1.178 120.025 118.700 0.245 0.000 2.716 527 N HA -0.216 4.524 4.740 0.000 0.000 0.250 527 N C -0.165 175.524 175.510 0.298 0.000 1.033 527 N CA 0.961 54.157 53.050 0.243 0.000 0.727 527 N CB -1.122 37.485 38.487 0.200 0.000 0.950 527 N HN 0.614 nan 8.380 nan 0.000 0.541 528 W N -0.396 120.929 121.300 0.042 0.000 2.893 528 W HA 0.273 4.933 4.660 0.000 0.000 0.253 528 W C -0.181 176.361 176.519 0.039 0.000 1.171 528 W CA 0.845 58.200 57.345 0.017 0.000 1.480 528 W CB 0.132 29.571 29.460 -0.035 0.000 0.963 528 W HN 0.294 nan 8.180 nan 0.000 0.637 529 S N 0.503 116.227 115.700 0.041 0.000 2.565 529 S HA 0.638 5.108 4.470 0.000 0.000 0.269 529 S C -0.773 173.870 174.600 0.071 0.000 1.153 529 S CA -0.909 57.271 58.200 -0.034 0.000 0.835 529 S CB 1.804 64.868 63.200 -0.226 0.000 1.122 529 S HN 0.179 nan 8.310 nan 0.000 0.462 530 M N 0.668 120.315 119.600 0.078 0.000 2.691 530 M HA 0.810 5.290 4.480 0.000 0.000 0.293 530 M C -1.620 174.768 176.300 0.147 0.000 1.259 530 M CA -1.128 54.226 55.300 0.090 0.000 0.827 530 M CB 1.353 33.929 32.600 -0.041 0.000 1.753 530 M HN 0.573 nan 8.290 nan 0.000 0.465 531 L N 1.926 123.306 121.223 0.262 0.000 2.276 531 L HA 0.410 4.750 4.340 0.000 0.000 0.286 531 L C -0.681 176.300 176.870 0.185 0.000 1.061 531 L CA 0.262 55.252 54.840 0.250 0.000 0.807 531 L CB 0.883 43.108 42.059 0.276 0.000 1.177 531 L HN 0.736 nan 8.230 nan 0.000 0.429 532 D N 7.027 127.518 120.400 0.152 0.000 2.382 532 D HA 0.082 4.722 4.640 0.000 0.000 0.259 532 D C -1.759 174.482 176.300 -0.099 0.000 1.224 532 D CA -1.568 52.517 54.000 0.142 0.000 0.894 532 D CB 1.620 42.604 40.800 0.306 0.000 1.127 532 D HN 0.409 nan 8.370 nan 0.000 0.487 533 P HA -0.126 nan 4.420 nan 0.000 0.218 533 P C 1.461 178.585 177.300 -0.294 0.000 1.146 533 P CA 1.026 63.633 63.100 -0.821 0.000 0.813 533 P CB -0.136 30.799 31.700 -1.276 0.000 0.778 534 I N -4.744 115.753 120.570 -0.122 0.000 3.251 534 I HA 0.103 4.273 4.170 0.000 0.000 0.277 534 I C 0.119 176.313 176.117 0.128 0.000 1.268 534 I CA 0.538 61.820 61.300 -0.031 0.000 1.449 534 I CB -0.345 37.657 38.000 0.004 0.000 1.083 534 I HN -0.312 nan 8.210 nan 0.000 0.464 535 K N 3.049 123.536 120.400 0.146 0.000 2.244 535 K HA 0.385 4.705 4.320 0.000 0.000 0.263 535 K C -0.699 176.047 176.600 0.243 0.000 1.103 535 K CA -0.424 55.988 56.287 0.207 0.000 0.966 535 K CB 1.508 34.117 32.500 0.180 0.000 1.429 535 K HN 0.032 nan 8.250 nan 0.000 0.434 536 V N 2.786 122.893 119.914 0.323 0.000 2.304 536 V HA 0.071 4.191 4.120 0.000 0.000 0.262 536 V C 0.325 176.655 176.094 0.393 0.000 1.061 536 V CA -0.454 62.057 62.300 0.352 0.000 0.872 536 V CB 0.357 32.447 31.823 0.446 0.000 1.077 536 V HN 0.519 nan 8.190 nan 0.000 0.480 537 S N 5.944 121.842 115.700 0.329 0.000 2.548 537 S HA 0.515 4.985 4.470 0.000 0.000 0.277 537 S C -0.111 174.614 174.600 0.209 0.000 1.315 537 S CA -0.306 58.040 58.200 0.242 0.000 1.050 537 S CB 0.739 64.091 63.200 0.253 0.000 0.918 537 S HN 0.417 nan 8.310 nan 0.000 0.497 538 I N 3.588 124.245 120.570 0.145 0.000 2.433 538 I HA 0.392 4.562 4.170 0.000 0.000 0.292 538 I C -0.481 175.650 176.117 0.024 0.000 1.001 538 I CA -0.702 60.665 61.300 0.112 0.000 1.119 538 I CB 1.385 39.523 38.000 0.231 0.000 1.289 538 I HN 0.491 nan 8.210 nan 0.000 0.438 539 L N 5.361 126.584 121.223 0.001 0.000 2.287 539 L HA 0.660 5.000 4.340 0.000 0.000 0.287 539 L C 0.513 177.473 176.870 0.150 0.000 1.022 539 L CA -0.667 54.155 54.840 -0.031 0.000 0.814 539 L CB 1.537 43.457 42.059 -0.232 0.000 1.217 539 L HN 0.644 nan 8.230 nan 0.000 0.420 540 A N 5.512 128.484 122.820 0.253 0.000 2.340 540 A HA 0.656 4.976 4.320 0.000 0.000 0.268 540 A C -2.266 175.367 177.584 0.081 0.000 1.100 540 A CA -1.285 50.896 52.037 0.240 0.000 0.803 540 A CB -0.120 19.074 19.000 0.323 0.000 1.043 540 A HN 0.464 nan 8.150 nan 0.000 0.488 541 P HA 0.364 nan 4.420 nan 0.000 0.271 541 P C 0.613 177.654 177.300 -0.432 0.000 1.218 541 P CA 0.854 63.842 63.100 -0.187 0.000 0.780 541 P CB 1.411 33.016 31.700 -0.158 0.000 0.901 542 G N 1.309 109.759 108.800 -0.584 0.000 3.617 542 G HA2 -0.058 3.902 3.960 0.000 0.000 0.217 542 G HA3 -0.058 3.902 3.960 0.000 0.000 0.217 542 G C -0.389 174.178 174.900 -0.556 0.000 0.967 542 G CA -0.157 44.512 45.100 -0.718 0.000 0.878 542 G HN 0.543 nan 8.290 nan 0.000 0.439 543 M N 2.944 122.154 119.600 -0.649 0.000 2.129 543 M HA 0.729 5.209 4.480 0.000 0.000 0.348 543 M C 0.574 176.758 176.300 -0.194 0.000 1.116 543 M CA -0.697 54.406 55.300 -0.328 0.000 1.022 543 M CB 1.185 33.609 32.600 -0.294 0.000 1.599 543 M HN 0.313 nan 8.290 nan 0.000 0.449 544 G N 3.282 112.005 108.800 -0.129 0.000 2.539 544 G HA2 0.197 4.157 3.960 0.000 0.000 0.258 544 G HA3 0.197 4.157 3.960 0.000 0.000 0.258 544 G C 0.398 175.234 174.900 -0.107 0.000 1.202 544 G CA -0.431 44.619 45.100 -0.083 0.000 0.851 544 G HN 0.840 nan 8.290 nan 0.000 0.556 545 E N 0.729 120.892 120.200 -0.062 0.000 2.130 545 E HA -0.193 4.157 4.350 0.000 0.000 0.196 545 E C 1.852 178.404 176.600 -0.081 0.000 0.998 545 E CA 1.611 57.974 56.400 -0.062 0.000 0.806 545 E CB 0.038 29.728 29.700 -0.017 0.000 0.738 545 E HN 0.755 nan 8.360 nan 0.000 0.459 546 D N -0.545 119.817 120.400 -0.064 0.000 2.378 546 D HA -0.033 4.607 4.640 0.000 0.000 0.227 546 D C 1.251 177.507 176.300 -0.074 0.000 1.012 546 D CA 0.916 54.882 54.000 -0.057 0.000 0.905 546 D CB -0.114 40.664 40.800 -0.036 0.000 0.895 546 D HN 0.233 nan 8.370 nan 0.000 0.532 547 G N -0.094 108.640 108.800 -0.111 0.000 2.136 547 G HA2 -0.226 3.734 3.960 0.000 0.000 0.242 547 G HA3 -0.226 3.734 3.960 0.000 0.000 0.242 547 G C -0.201 174.644 174.900 -0.092 0.000 0.989 547 G CA -0.018 45.004 45.100 -0.129 0.000 0.682 547 G HN 0.378 nan 8.290 nan 0.000 0.522 548 E N -0.354 119.803 120.200 -0.071 0.000 2.221 548 E HA 0.638 4.988 4.350 0.000 0.000 0.268 548 E C 0.880 177.461 176.600 -0.032 0.000 0.933 548 E CA -0.924 55.450 56.400 -0.043 0.000 0.809 548 E CB 1.520 31.204 29.700 -0.027 0.000 1.190 548 E HN 0.276 nan 8.360 nan 0.000 0.406 549 L N 1.403 122.623 121.223 -0.005 0.000 2.482 549 L HA 0.049 4.389 4.340 0.000 0.000 0.273 549 L C 1.183 178.118 176.870 0.108 0.000 1.228 549 L CA 0.439 55.308 54.840 0.049 0.000 0.827 549 L CB 0.243 42.300 42.059 -0.004 0.000 1.099 549 L HN 0.372 nan 8.230 nan 0.000 0.494 550 E N 0.628 120.964 120.200 0.226 0.000 2.601 550 E HA 0.136 4.486 4.350 0.000 0.000 0.250 550 E C 0.403 177.155 176.600 0.253 0.000 1.099 550 E CA -0.858 55.630 56.400 0.148 0.000 0.968 550 E CB 0.667 30.379 29.700 0.019 0.000 1.290 550 E HN 0.464 nan 8.360 nan 0.000 0.505 551 E N 0.228 120.491 120.200 0.105 0.000 2.107 551 E HA -0.037 4.313 4.350 0.000 0.000 0.191 551 E C 0.877 177.509 176.600 0.054 0.000 0.982 551 E CA 1.116 57.584 56.400 0.113 0.000 0.809 551 E CB 0.003 29.728 29.700 0.043 0.000 0.756 551 E HN 0.582 nan 8.360 nan 0.000 0.459 552 T N -2.512 111.898 114.554 -0.241 0.000 2.864 552 T HA 0.773 5.123 4.350 0.000 0.000 0.289 552 T C 0.203 174.167 174.700 -1.226 0.000 1.082 552 T CA -0.483 61.198 62.100 -0.699 0.000 1.009 552 T CB 2.509 71.165 68.868 -0.353 0.000 1.234 552 T HN 0.135 nan 8.240 nan 0.000 0.526 553 G N -0.862 107.075 108.800 -1.438 0.000 2.451 553 G HA2 0.523 4.483 3.960 0.000 0.000 0.292 553 G HA3 0.523 4.483 3.960 0.000 0.000 0.292 553 G C -2.066 172.514 174.900 -0.532 0.000 1.427 553 G CA -0.632 43.892 45.100 -0.960 0.000 0.792 553 G HN 0.988 nan 8.290 nan 0.000 0.498 554 V N 1.695 121.433 119.914 -0.293 0.000 2.380 554 V HA 0.440 4.560 4.120 0.000 0.000 0.286 554 V C -2.357 173.803 176.094 0.110 0.000 1.015 554 V CA -1.453 60.650 62.300 -0.328 0.000 0.834 554 V CB 1.735 33.014 31.823 -0.907 0.000 1.009 554 V HN 0.546 nan 8.190 nan 0.000 0.428 555 P HA 0.232 nan 4.420 nan 0.000 0.276 555 P C 0.824 178.103 177.300 -0.035 0.000 1.243 555 P CA -0.083 63.036 63.100 0.032 0.000 0.768 555 P CB 1.357 33.070 31.700 0.021 0.000 0.856 556 A N 4.654 127.414 122.820 -0.100 0.000 1.948 556 A HA -0.236 4.085 4.320 0.000 0.000 0.220 556 A C 2.134 179.676 177.584 -0.071 0.000 1.177 556 A CA 2.275 54.267 52.037 -0.076 0.000 0.636 556 A CB -1.587 17.350 19.000 -0.105 0.000 0.815 556 A HN 0.540 nan 8.150 nan 0.000 0.449 557 A N -1.074 121.698 122.820 -0.080 0.000 1.978 557 A HA -0.054 4.266 4.320 0.000 0.000 0.220 557 A C 2.062 179.760 177.584 0.190 0.000 1.170 557 A CA 1.781 53.845 52.037 0.044 0.000 0.636 557 A CB -0.424 18.613 19.000 0.061 0.000 0.810 557 A HN 0.607 nan 8.150 nan 0.000 0.448 558 L N -0.697 120.591 121.223 0.108 0.000 2.270 558 L HA 0.028 4.368 4.340 0.000 0.000 0.210 558 L C 2.284 179.310 176.870 0.260 0.000 1.104 558 L CA 1.221 56.209 54.840 0.247 0.000 0.804 558 L CB -0.118 42.071 42.059 0.217 0.000 0.937 558 L HN 0.151 nan 8.230 nan 0.000 0.450 559 V N -1.209 118.659 119.914 -0.076 0.000 2.323 559 V HA -0.230 3.890 4.120 0.000 0.000 0.244 559 V C 2.402 178.490 176.094 -0.011 0.000 1.041 559 V CA 2.032 64.091 62.300 -0.401 0.000 1.025 559 V CB -1.084 30.419 31.823 -0.534 0.000 0.656 559 V HN 0.436 nan 8.190 nan 0.000 0.451 560 T N 1.010 115.573 114.554 0.015 0.000 2.624 560 T HA -0.279 4.071 4.350 0.000 0.000 0.268 560 T C 2.076 176.855 174.700 0.132 0.000 1.041 560 T CA 2.050 64.178 62.100 0.048 0.000 1.159 560 T CB -0.582 68.298 68.868 0.020 0.000 0.863 560 T HN 0.578 nan 8.240 nan 0.000 0.434 561 A N 0.985 123.934 122.820 0.214 0.000 1.978 561 A HA -0.137 4.183 4.320 0.000 0.000 0.220 561 A C 2.128 179.886 177.584 0.291 0.000 1.170 561 A CA 1.537 53.707 52.037 0.220 0.000 0.636 561 A CB -0.998 18.186 19.000 0.306 0.000 0.810 561 A HN 0.808 nan 8.150 nan 0.000 0.448 562 W N 0.587 122.007 121.300 0.200 0.000 2.441 562 W HA -0.100 4.561 4.660 0.000 0.000 0.302 562 W C 1.604 178.267 176.519 0.239 0.000 1.191 562 W CA 1.364 58.872 57.345 0.272 0.000 1.327 562 W CB -0.425 29.287 29.460 0.419 0.000 1.128 562 W HN 0.303 nan 8.180 nan 0.000 0.522 563 L N 1.354 122.683 121.223 0.177 0.000 1.956 563 L HA -0.218 4.122 4.340 0.000 0.000 0.216 563 L C 2.900 179.800 176.870 0.049 0.000 1.073 563 L CA 2.033 56.907 54.840 0.057 0.000 0.762 563 L CB -1.778 40.356 42.059 0.124 0.000 0.889 563 L HN 0.097 nan 8.230 nan 0.000 0.433 564 G N -0.312 108.524 108.800 0.060 0.000 2.597 564 G HA2 -0.343 3.617 3.960 0.000 0.000 0.222 564 G HA3 -0.343 3.617 3.960 0.000 0.000 0.222 564 G C 1.708 176.603 174.900 -0.008 0.000 1.135 564 G CA 1.172 46.287 45.100 0.025 0.000 0.759 564 G HN 0.329 nan 8.290 nan 0.000 0.595 565 R N -0.813 119.675 120.500 -0.019 0.000 2.152 565 R HA -0.058 4.282 4.340 0.000 0.000 0.232 565 R C 1.218 177.364 176.300 -0.258 0.000 1.117 565 R CA 1.137 57.157 56.100 -0.135 0.000 0.981 565 R CB -0.160 30.020 30.300 -0.200 0.000 0.870 565 R HN 0.501 nan 8.270 nan 0.000 0.451 566 H N -1.142 117.778 119.070 -0.250 0.000 2.524 566 H HA 0.226 4.782 4.556 0.000 0.000 0.299 566 H C 0.375 175.634 175.328 -0.115 0.000 1.074 566 H CA 0.250 56.173 56.048 -0.208 0.000 1.115 566 H CB 0.585 30.191 29.762 -0.261 0.000 1.522 566 H HN 0.284 nan 8.280 nan 0.000 0.543 567 G N 1.449 110.242 108.800 -0.012 0.000 2.372 567 G HA2 -0.277 3.683 3.960 0.000 0.000 0.290 567 G HA3 -0.277 3.683 3.960 0.000 0.000 0.290 567 G C -0.250 174.662 174.900 0.021 0.000 0.965 567 G CA 0.312 45.409 45.100 -0.004 0.000 1.263 567 G HN 0.450 nan 8.290 nan 0.000 0.498 568 I N -0.249 120.346 120.570 0.040 0.000 2.500 568 I HA 0.374 4.544 4.170 0.000 0.000 0.286 568 I C -0.177 175.986 176.117 0.077 0.000 1.063 568 I CA -1.000 60.342 61.300 0.069 0.000 1.062 568 I CB 2.438 40.495 38.000 0.095 0.000 1.223 568 I HN -0.035 nan 8.210 nan 0.000 0.435 569 V N 7.062 127.015 119.914 0.066 0.000 2.327 569 V HA 0.326 4.447 4.120 0.000 0.000 0.272 569 V C -2.053 174.044 176.094 0.005 0.000 1.019 569 V CA -1.426 60.892 62.300 0.029 0.000 0.814 569 V CB 0.786 32.619 31.823 0.017 0.000 1.040 569 V HN 0.573 nan 8.190 nan 0.000 0.440 570 P HA 0.096 nan 4.420 nan 0.000 0.265 570 P C 1.256 178.473 177.300 -0.138 0.000 1.193 570 P CA 0.203 63.164 63.100 -0.231 0.000 0.765 570 P CB 0.982 32.389 31.700 -0.488 0.000 0.823 571 T N 1.631 116.121 114.554 -0.105 0.000 2.643 571 T HA -0.141 4.209 4.350 0.000 0.000 0.264 571 T C 0.988 175.646 174.700 -0.071 0.000 1.045 571 T CA 0.893 62.962 62.100 -0.052 0.000 1.155 571 T CB -0.129 68.711 68.868 -0.046 0.000 0.863 571 T HN 0.381 nan 8.240 nan 0.000 0.420 572 R N 0.089 120.529 120.500 -0.100 0.000 2.778 572 R HA 0.627 4.967 4.340 0.000 0.000 0.277 572 R C -1.224 175.012 176.300 -0.108 0.000 0.977 572 R CA -0.446 55.612 56.100 -0.071 0.000 0.950 572 R CB 2.026 32.308 30.300 -0.030 0.000 1.165 572 R HN 0.178 nan 8.270 nan 0.000 0.474 573 T N 0.904 115.417 114.554 -0.068 0.000 2.906 573 T HA 0.513 4.863 4.350 0.000 0.000 0.295 573 T C -0.765 173.895 174.700 -0.066 0.000 1.061 573 T CA -0.488 61.558 62.100 -0.090 0.000 1.000 573 T CB 1.766 70.581 68.868 -0.089 0.000 1.103 573 T HN 0.817 nan 8.240 nan 0.000 0.486 574 T N -1.010 113.485 114.554 -0.099 0.000 2.565 574 T HA 0.433 4.783 4.350 0.000 0.000 0.266 574 T C 0.354 174.935 174.700 -0.199 0.000 0.905 574 T CA -0.569 61.471 62.100 -0.100 0.000 1.122 574 T CB 0.449 69.280 68.868 -0.061 0.000 1.437 574 T HN 0.281 nan 8.240 nan 0.000 0.506 575 D N -0.088 120.153 120.400 -0.265 0.000 2.117 575 D HA 0.087 4.727 4.640 0.000 0.000 0.198 575 D C 0.896 176.686 176.300 -0.849 0.000 0.982 575 D CA 1.396 55.033 54.000 -0.606 0.000 0.828 575 D CB -0.117 40.289 40.800 -0.656 0.000 0.967 575 D HN 0.476 nan 8.370 nan 0.000 0.464 576 F N -0.656 119.308 119.950 0.024 0.000 2.798 576 F HA 0.208 4.735 4.527 0.000 0.000 0.328 576 F C 0.789 176.567 175.800 -0.037 0.000 1.098 576 F CA -0.475 57.549 58.000 0.040 0.000 1.172 576 F CB 0.512 39.593 39.000 0.135 0.000 1.072 576 F HN -0.252 nan 8.300 nan 0.000 0.555 577 Q N 1.977 121.784 119.800 0.011 0.000 2.312 577 Q HA 0.548 4.888 4.340 0.000 0.000 0.263 577 Q C -1.302 174.622 176.000 -0.127 0.000 0.995 577 Q CA -0.261 55.473 55.803 -0.115 0.000 0.853 577 Q CB 2.057 30.641 28.738 -0.257 0.000 1.300 577 Q HN 0.363 nan 8.270 nan 0.000 0.448 578 I N 4.025 124.510 120.570 -0.141 0.000 2.447 578 I HA 0.372 4.542 4.170 0.000 0.000 0.287 578 I C -0.324 175.608 176.117 -0.308 0.000 1.023 578 I CA -0.435 60.712 61.300 -0.256 0.000 1.083 578 I CB 2.039 39.861 38.000 -0.296 0.000 1.245 578 I HN 0.502 nan 8.210 nan 0.000 0.434 579 M N 6.535 125.925 119.600 -0.351 0.000 2.227 579 M HA 0.510 4.990 4.480 0.000 0.000 0.335 579 M C -1.672 174.428 176.300 -0.333 0.000 1.053 579 M CA -0.508 54.677 55.300 -0.191 0.000 0.973 579 M CB 1.220 33.782 32.600 -0.064 0.000 1.623 579 M HN 0.343 nan 8.290 nan 0.000 0.434 580 F N 4.480 124.531 119.950 0.167 0.000 2.427 580 F HA 0.405 4.932 4.527 0.000 0.000 0.346 580 F C -0.262 175.664 175.800 0.209 0.000 1.120 580 F CA -0.692 57.399 58.000 0.151 0.000 1.033 580 F CB 1.057 40.167 39.000 0.183 0.000 1.126 580 F HN 0.400 nan 8.300 nan 0.000 0.462 581 L N 4.599 125.972 121.223 0.250 0.000 2.315 581 L HA 0.357 4.697 4.340 0.000 0.000 0.283 581 L C -0.970 175.990 176.870 0.149 0.000 1.089 581 L CA 0.221 55.189 54.840 0.212 0.000 0.833 581 L CB -0.226 41.915 42.059 0.136 0.000 1.170 581 L HN 0.402 nan 8.230 nan 0.000 0.442 582 F N 3.505 123.518 119.950 0.105 0.000 2.408 582 F HA 0.544 5.071 4.527 0.000 0.000 0.344 582 F C 0.665 176.488 175.800 0.037 0.000 1.112 582 F CA -0.061 57.979 58.000 0.067 0.000 1.096 582 F CB 1.640 40.672 39.000 0.053 0.000 1.129 582 F HN 0.578 nan 8.300 nan 0.000 0.486 583 S N 2.550 118.329 115.700 0.131 0.000 2.732 583 S HA 0.433 4.903 4.470 0.000 0.000 0.293 583 S C 0.395 175.027 174.600 0.053 0.000 1.159 583 S CA -0.943 57.304 58.200 0.078 0.000 0.847 583 S CB 1.394 64.651 63.200 0.094 0.000 1.169 583 S HN 0.674 nan 8.310 nan 0.000 0.501 584 M N 0.889 120.505 119.600 0.027 0.000 2.539 584 M HA 0.032 4.512 4.480 0.000 0.000 0.261 584 M C 1.846 178.163 176.300 0.029 0.000 1.069 584 M CA 1.496 56.811 55.300 0.024 0.000 1.081 584 M CB -0.738 31.872 32.600 0.016 0.000 1.412 584 M HN 0.939 nan 8.290 nan 0.000 0.482 585 G N -0.272 108.547 108.800 0.032 0.000 2.777 585 G HA2 0.158 4.118 3.960 0.000 0.000 0.211 585 G HA3 0.158 4.118 3.960 0.000 0.000 0.211 585 G C 0.501 175.405 174.900 0.007 0.000 1.149 585 G CA -0.178 44.934 45.100 0.021 0.000 0.785 585 G HN 0.231 nan 8.290 nan 0.000 0.536 586 V N 1.741 121.660 119.914 0.007 0.000 2.686 586 V HA 0.409 4.529 4.120 0.000 0.000 0.295 586 V C 0.878 176.980 176.094 0.012 0.000 1.055 586 V CA -0.286 62.004 62.300 -0.017 0.000 1.050 586 V CB 1.102 32.887 31.823 -0.063 0.000 0.984 586 V HN 0.329 nan 8.190 nan 0.000 0.482 587 T N 2.453 117.003 114.554 -0.006 0.000 2.934 587 T HA 0.529 4.879 4.350 0.000 0.000 0.283 587 T C -0.016 174.696 174.700 0.019 0.000 1.005 587 T CA -0.938 61.164 62.100 0.004 0.000 1.041 587 T CB 0.872 69.729 68.868 -0.018 0.000 1.042 587 T HN 0.562 nan 8.240 nan 0.000 0.505 588 R N 0.529 121.047 120.500 0.030 0.000 2.537 588 R HA 0.410 4.750 4.340 0.000 0.000 0.280 588 R C 1.527 177.810 176.300 -0.028 0.000 1.058 588 R CA 0.950 57.085 56.100 0.057 0.000 1.057 588 R CB 0.110 30.445 30.300 0.058 0.000 0.973 588 R HN 1.167 nan 8.270 nan 0.000 0.438 589 G N 2.228 110.988 108.800 -0.068 0.000 2.179 589 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 589 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 589 G C 0.943 175.489 174.900 -0.589 0.000 0.977 589 G CA 0.612 45.448 45.100 -0.439 0.000 0.641 589 G HN 0.562 nan 8.290 nan 0.000 0.533 590 K N 1.121 121.340 120.400 -0.302 0.000 2.147 590 K HA -0.034 4.286 4.320 0.000 0.000 0.205 590 K C 2.340 178.778 176.600 -0.271 0.000 1.049 590 K CA 2.012 58.156 56.287 -0.238 0.000 0.936 590 K CB -0.654 31.761 32.500 -0.142 0.000 0.722 590 K HN 0.810 nan 8.250 nan 0.000 0.446 591 W N -0.349 120.868 121.300 -0.139 0.000 2.424 591 W HA -0.035 4.625 4.660 0.000 0.000 0.264 591 W C 1.359 177.794 176.519 -0.141 0.000 1.229 591 W CA 0.615 57.797 57.345 -0.271 0.000 1.208 591 W CB -1.103 28.271 29.460 -0.143 0.000 1.127 591 W HN 0.155 nan 8.180 nan 0.000 0.588 592 G N 1.050 109.528 108.800 -0.537 0.000 2.448 592 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 592 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 592 G C 1.505 176.359 174.900 -0.076 0.000 1.127 592 G CA 1.677 46.571 45.100 -0.344 0.000 0.766 592 G HN 0.384 nan 8.290 nan 0.000 0.552 593 T N 0.353 114.834 114.554 -0.121 0.000 2.867 593 T HA 0.012 4.362 4.350 0.000 0.000 0.268 593 T C 2.457 177.140 174.700 -0.029 0.000 1.057 593 T CA 0.933 62.998 62.100 -0.058 0.000 1.136 593 T CB -0.210 68.610 68.868 -0.080 0.000 0.874 593 T HN 0.226 nan 8.240 nan 0.000 0.466 594 L N 0.622 121.787 121.223 -0.097 0.000 1.970 594 L HA -0.083 4.257 4.340 0.000 0.000 0.212 594 L C 2.778 179.721 176.870 0.121 0.000 1.071 594 L CA 1.308 56.063 54.840 -0.141 0.000 0.751 594 L CB -0.875 40.846 42.059 -0.565 0.000 0.889 594 L HN 0.156 nan 8.230 nan 0.000 0.432 595 V N 0.325 120.443 119.914 0.339 0.000 2.324 595 V HA -0.350 3.770 4.120 0.000 0.000 0.250 595 V C 2.399 178.686 176.094 0.323 0.000 1.060 595 V CA 2.190 64.755 62.300 0.442 0.000 1.042 595 V CB -0.864 31.299 31.823 0.565 0.000 0.650 595 V HN 0.577 nan 8.190 nan 0.000 0.450 596 N N 0.001 118.835 118.700 0.222 0.000 2.104 596 N HA -0.174 4.566 4.740 0.000 0.000 0.190 596 N C 1.762 177.414 175.510 0.236 0.000 1.024 596 N CA 2.237 55.406 53.050 0.198 0.000 0.853 596 N CB -0.005 38.558 38.487 0.128 0.000 1.008 596 N HN 0.556 nan 8.380 nan 0.000 0.424 597 T N 1.694 116.366 114.554 0.196 0.000 2.851 597 T HA 0.081 4.431 4.350 0.000 0.000 0.262 597 T C 2.148 177.086 174.700 0.397 0.000 1.043 597 T CA 0.319 62.553 62.100 0.223 0.000 1.140 597 T CB -0.093 68.784 68.868 0.016 0.000 0.872 597 T HN 0.129 nan 8.240 nan 0.000 0.446 598 L N 0.739 122.117 121.223 0.258 0.000 2.013 598 L HA -0.199 4.141 4.340 0.000 0.000 0.212 598 L C 2.925 180.074 176.870 0.465 0.000 1.073 598 L CA 1.169 56.128 54.840 0.198 0.000 0.753 598 L CB -0.895 41.152 42.059 -0.020 0.000 0.890 598 L HN 0.380 nan 8.230 nan 0.000 0.432 599 C N -0.362 119.226 119.300 0.481 0.000 2.413 599 C HA -0.192 4.268 4.460 0.000 0.000 0.276 599 C C 3.336 178.530 174.990 0.340 0.000 1.236 599 C CA 1.368 60.653 59.018 0.445 0.000 1.735 599 C CB -0.947 27.006 27.740 0.354 0.000 2.031 599 C HN 0.740 nan 8.230 nan 0.000 0.474 600 S N 0.346 116.268 115.700 0.369 0.000 2.402 600 S HA -0.198 4.272 4.470 0.000 0.000 0.229 600 S C 1.691 176.429 174.600 0.229 0.000 1.021 600 S CA 1.466 59.889 58.200 0.372 0.000 0.974 600 S CB -0.942 62.618 63.200 0.601 0.000 0.800 600 S HN 0.585 nan 8.310 nan 0.000 0.484 601 F N 2.904 122.845 119.950 -0.015 0.000 2.043 601 F HA -0.100 4.427 4.527 0.000 0.000 0.297 601 F C 2.538 178.321 175.800 -0.028 0.000 1.121 601 F CA 2.150 59.875 58.000 -0.459 0.000 1.199 601 F CB -0.436 38.398 39.000 -0.277 0.000 0.968 601 F HN 0.131 nan 8.300 nan 0.000 0.478 602 K N 0.368 120.939 120.400 0.285 0.000 2.044 602 K HA -0.284 4.036 4.320 0.000 0.000 0.210 602 K C 2.499 179.133 176.600 0.057 0.000 1.049 602 K CA 1.823 58.195 56.287 0.141 0.000 0.927 602 K CB -0.434 31.977 32.500 -0.148 0.000 0.713 602 K HN 0.273 nan 8.250 nan 0.000 0.443 603 R N -0.295 120.215 120.500 0.016 0.000 2.096 603 R HA -0.179 4.161 4.340 0.000 0.000 0.240 603 R C 2.268 178.490 176.300 -0.130 0.000 1.139 603 R CA 1.748 57.818 56.100 -0.050 0.000 0.952 603 R CB -0.251 30.004 30.300 -0.074 0.000 0.854 603 R HN 0.425 nan 8.270 nan 0.000 0.436 604 H N -1.418 117.583 119.070 -0.115 0.000 2.428 604 H HA -0.133 4.423 4.556 0.000 0.000 0.296 604 H C 1.667 176.894 175.328 -0.169 0.000 1.062 604 H CA 1.444 57.389 56.048 -0.172 0.000 1.350 604 H CB -0.240 29.314 29.762 -0.347 0.000 1.403 604 H HN 0.302 nan 8.280 nan 0.000 0.533 605 Y N 2.182 122.329 120.300 -0.256 0.000 2.109 605 Y HA -0.200 4.350 4.550 0.000 0.000 0.285 605 Y C 2.014 177.955 175.900 0.069 0.000 1.131 605 Y CA 1.668 59.637 58.100 -0.219 0.000 1.121 605 Y CB -0.111 38.172 38.460 -0.295 0.000 0.987 605 Y HN 0.060 nan 8.280 nan 0.000 0.495 606 D N -0.068 120.490 120.400 0.264 0.000 2.149 606 D HA -0.181 4.459 4.640 0.000 0.000 0.198 606 D C 2.090 178.452 176.300 0.104 0.000 0.990 606 D CA 1.447 55.593 54.000 0.243 0.000 0.839 606 D CB -0.585 40.346 40.800 0.219 0.000 0.948 606 D HN 0.462 nan 8.370 nan 0.000 0.460 607 A N 0.534 123.383 122.820 0.048 0.000 2.168 607 A HA -0.108 4.212 4.320 0.000 0.000 0.215 607 A C 0.966 178.553 177.584 0.006 0.000 1.152 607 A CA 0.831 52.880 52.037 0.020 0.000 0.716 607 A CB -0.541 18.464 19.000 0.008 0.000 0.794 607 A HN 0.259 nan 8.150 nan 0.000 0.465 608 N N -0.231 118.460 118.700 -0.015 0.000 2.725 608 N HA -0.137 4.603 4.740 0.000 0.000 0.251 608 N C -0.404 175.109 175.510 0.006 0.000 1.031 608 N CA 1.047 54.073 53.050 -0.040 0.000 0.720 608 N CB -2.141 36.300 38.487 -0.078 0.000 0.930 608 N HN 0.376 nan 8.380 nan 0.000 0.543 609 T N 1.480 116.064 114.554 0.050 0.000 2.934 609 T HA 0.139 4.489 4.350 0.000 0.000 0.306 609 T C -2.185 172.554 174.700 0.066 0.000 1.042 609 T CA -0.320 61.840 62.100 0.099 0.000 1.145 609 T CB 0.573 69.579 68.868 0.229 0.000 0.982 609 T HN 0.190 nan 8.240 nan 0.000 0.544 610 P HA 0.057 nan 4.420 nan 0.000 0.264 610 P C 0.886 178.236 177.300 0.082 0.000 1.183 610 P CA 0.070 63.215 63.100 0.074 0.000 0.763 610 P CB 0.348 32.091 31.700 0.072 0.000 0.807 611 L N 3.155 124.436 121.223 0.096 0.000 2.042 611 L HA -0.268 4.072 4.340 0.000 0.000 0.210 611 L C 2.448 179.377 176.870 0.098 0.000 1.076 611 L CA 1.942 56.846 54.840 0.107 0.000 0.749 611 L CB -1.108 41.027 42.059 0.127 0.000 0.893 611 L HN 0.425 nan 8.230 nan 0.000 0.432 612 A N -0.289 122.588 122.820 0.095 0.000 1.985 612 A HA -0.341 3.979 4.320 0.000 0.000 0.223 612 A C 2.230 179.856 177.584 0.070 0.000 1.189 612 A CA 2.364 54.449 52.037 0.079 0.000 0.658 612 A CB -0.511 18.533 19.000 0.073 0.000 0.820 612 A HN 0.570 nan 8.150 nan 0.000 0.464 613 Q N -1.301 118.544 119.800 0.075 0.000 2.107 613 Q HA 0.012 4.352 4.340 0.000 0.000 0.195 613 Q C 2.112 178.159 176.000 0.079 0.000 0.964 613 Q CA 1.529 57.376 55.803 0.074 0.000 0.833 613 Q CB -0.136 28.652 28.738 0.083 0.000 0.910 613 Q HN 0.739 nan 8.270 nan 0.000 0.465 614 V N -2.887 117.082 119.914 0.091 0.000 3.506 614 V HA 0.212 4.332 4.120 0.000 0.000 0.263 614 V C 0.961 177.197 176.094 0.236 0.000 1.203 614 V CA 0.552 62.955 62.300 0.173 0.000 1.133 614 V CB 0.099 31.988 31.823 0.110 0.000 0.802 614 V HN 0.193 nan 8.190 nan 0.000 0.459 615 M N 1.123 120.814 119.600 0.151 0.000 3.951 615 M HA 0.349 4.829 4.480 0.000 0.000 0.444 615 M C -2.158 174.181 176.300 0.066 0.000 1.957 615 M CA -0.967 54.407 55.300 0.123 0.000 0.521 615 M CB 2.063 34.750 32.600 0.145 0.000 1.436 615 M HN 0.019 nan 8.290 nan 0.000 0.525 616 P HA -0.109 nan 4.420 nan 0.000 0.220 616 P C 0.713 178.023 177.300 0.016 0.000 1.148 616 P CA 1.469 64.591 63.100 0.036 0.000 0.803 616 P CB 0.352 32.067 31.700 0.024 0.000 0.782 617 E N -0.189 120.008 120.200 -0.004 0.000 2.077 617 E HA -0.141 4.209 4.350 0.000 0.000 0.193 617 E C 2.004 178.584 176.600 -0.032 0.000 0.989 617 E CA 0.695 57.077 56.400 -0.030 0.000 0.800 617 E CB -1.192 28.481 29.700 -0.045 0.000 0.746 617 E HN 0.097 nan 8.360 nan 0.000 0.452 618 L N -0.029 121.183 121.223 -0.019 0.000 2.042 618 L HA -0.174 4.167 4.340 0.000 0.000 0.210 618 L C 1.985 178.917 176.870 0.103 0.000 1.076 618 L CA 1.404 56.242 54.840 -0.003 0.000 0.749 618 L CB -0.183 41.809 42.059 -0.111 0.000 0.893 618 L HN 0.046 nan 8.230 nan 0.000 0.432 619 V N -1.283 118.690 119.914 0.099 0.000 2.591 619 V HA -0.158 3.962 4.120 0.000 0.000 0.249 619 V C 2.331 178.494 176.094 0.115 0.000 1.053 619 V CA 1.436 63.839 62.300 0.172 0.000 1.068 619 V CB -0.688 31.222 31.823 0.145 0.000 0.689 619 V HN 0.439 nan 8.190 nan 0.000 0.462 620 E N 0.194 120.421 120.200 0.045 0.000 2.051 620 E HA -0.277 4.073 4.350 0.000 0.000 0.192 620 E C 2.301 178.876 176.600 -0.041 0.000 0.991 620 E CA 1.478 57.881 56.400 0.005 0.000 0.799 620 E CB -0.102 29.588 29.700 -0.017 0.000 0.748 620 E HN 0.624 nan 8.360 nan 0.000 0.449 621 Q N -0.252 119.477 119.800 -0.117 0.000 2.083 621 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 621 Q C -0.134 175.609 176.000 -0.429 0.000 0.969 621 Q CA 1.017 56.615 55.803 -0.341 0.000 0.838 621 Q CB 0.344 28.768 28.738 -0.522 0.000 0.900 621 Q HN 0.257 nan 8.270 nan 0.000 0.436 622 Y N -0.897 119.489 120.300 0.143 0.000 2.748 622 Y HA 0.323 4.873 4.550 0.000 0.000 0.359 622 Y C -2.067 173.941 175.900 0.180 0.000 1.030 622 Y CA -2.440 55.761 58.100 0.169 0.000 1.169 622 Y CB 1.293 39.913 38.460 0.266 0.000 1.127 622 Y HN 0.180 nan 8.280 nan 0.000 0.644 623 P HA -0.045 nan 4.420 nan 0.000 0.229 623 P C 0.948 178.317 177.300 0.115 0.000 1.160 623 P CA 1.108 64.300 63.100 0.154 0.000 0.777 623 P CB 0.642 32.397 31.700 0.090 0.000 0.814 624 D N -1.153 119.303 120.400 0.092 0.000 2.117 624 D HA -0.083 4.557 4.640 0.000 0.000 0.198 624 D C 1.737 178.016 176.300 -0.036 0.000 0.982 624 D CA 1.426 55.442 54.000 0.027 0.000 0.828 624 D CB -0.561 40.248 40.800 0.015 0.000 0.967 624 D HN 0.058 nan 8.370 nan 0.000 0.464 625 T N -1.076 113.407 114.554 -0.119 0.000 2.978 625 T HA -0.052 4.298 4.350 0.000 0.000 0.262 625 T C 0.905 175.344 174.700 -0.435 0.000 1.063 625 T CA 0.649 62.506 62.100 -0.406 0.000 1.140 625 T CB -0.016 68.387 68.868 -0.775 0.000 0.886 625 T HN 0.178 nan 8.240 nan 0.000 0.470 626 Y N 0.907 121.281 120.300 0.123 0.000 2.481 626 Y HA 0.633 5.183 4.550 0.000 0.000 0.247 626 Y C 1.144 177.106 175.900 0.103 0.000 1.151 626 Y CA -1.518 56.660 58.100 0.131 0.000 1.238 626 Y CB -0.329 38.239 38.460 0.180 0.000 1.179 626 Y HN 0.063 nan 8.280 nan 0.000 0.524 627 A N 1.461 124.383 122.820 0.169 0.000 2.587 627 A HA 0.025 4.345 4.320 0.000 0.000 0.235 627 A C 0.803 178.449 177.584 0.104 0.000 1.044 627 A CA 0.228 52.336 52.037 0.119 0.000 0.754 627 A CB -0.392 18.653 19.000 0.075 0.000 0.968 627 A HN 0.655 nan 8.150 nan 0.000 0.509 628 N N 0.141 118.897 118.700 0.093 0.000 2.710 628 N HA -0.183 4.557 4.740 0.000 0.000 0.249 628 N C -0.499 175.060 175.510 0.081 0.000 1.059 628 N CA 1.727 54.822 53.050 0.074 0.000 0.720 628 N CB -1.640 36.879 38.487 0.053 0.000 0.983 628 N HN 0.757 nan 8.380 nan 0.000 0.544 629 M N -0.178 119.490 119.600 0.114 0.000 2.598 629 M HA 0.551 5.031 4.480 0.000 0.000 0.317 629 M C 1.004 177.367 176.300 0.105 0.000 1.179 629 M CA -0.635 54.736 55.300 0.119 0.000 0.936 629 M CB 2.275 34.985 32.600 0.183 0.000 1.713 629 M HN 0.189 nan 8.290 nan 0.000 0.460 630 G N 0.592 109.437 108.800 0.075 0.000 2.461 630 G HA2 0.475 4.435 3.960 0.000 0.000 0.329 630 G HA3 0.475 4.435 3.960 0.000 0.000 0.329 630 G C 0.429 175.360 174.900 0.051 0.000 1.170 630 G CA -0.649 44.482 45.100 0.052 0.000 0.935 630 G HN 0.910 nan 8.290 nan 0.000 0.492 631 I N -0.603 119.981 120.570 0.023 0.000 2.248 631 I HA -0.238 3.932 4.170 0.000 0.000 0.248 631 I C 2.274 178.360 176.117 -0.053 0.000 1.107 631 I CA 1.441 62.750 61.300 0.016 0.000 1.373 631 I CB 0.094 38.073 38.000 -0.034 0.000 1.055 631 I HN 0.654 nan 8.210 nan 0.000 0.418 632 H N 0.867 119.718 119.070 -0.366 0.000 2.428 632 H HA -0.135 4.421 4.556 0.000 0.000 0.296 632 H C 1.697 176.873 175.328 -0.252 0.000 1.062 632 H CA 1.678 57.324 56.048 -0.669 0.000 1.350 632 H CB -0.133 29.182 29.762 -0.744 0.000 1.403 632 H HN 0.411 nan 8.280 nan 0.000 0.533 633 D N 0.484 120.918 120.400 0.057 0.000 2.097 633 D HA -0.150 4.490 4.640 0.000 0.000 0.195 633 D C 2.403 178.775 176.300 0.120 0.000 0.989 633 D CA 0.657 54.704 54.000 0.079 0.000 0.827 633 D CB -0.424 40.413 40.800 0.062 0.000 0.966 633 D HN 0.282 nan 8.370 nan 0.000 0.456 634 L N 1.010 122.306 121.223 0.121 0.000 2.046 634 L HA 0.028 4.368 4.340 0.000 0.000 0.208 634 L C 2.178 179.088 176.870 0.066 0.000 1.077 634 L CA 2.009 56.922 54.840 0.123 0.000 0.747 634 L CB -1.060 41.074 42.059 0.125 0.000 0.896 634 L HN 0.052 nan 8.230 nan 0.000 0.432 635 G N -1.173 107.700 108.800 0.122 0.000 2.422 635 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 635 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 635 G C 1.282 176.299 174.900 0.195 0.000 1.146 635 G CA 0.824 46.030 45.100 0.177 0.000 0.769 635 G HN 0.407 nan 8.290 nan 0.000 0.547 636 D N 0.319 120.840 120.400 0.202 0.000 2.097 636 D HA -0.063 4.577 4.640 0.000 0.000 0.197 636 D C 2.822 179.267 176.300 0.243 0.000 0.984 636 D CA 1.479 55.614 54.000 0.225 0.000 0.826 636 D CB -0.659 40.255 40.800 0.189 0.000 0.973 636 D HN 0.197 nan 8.370 nan 0.000 0.460 637 T N 0.887 115.566 114.554 0.207 0.000 2.665 637 T HA -0.179 4.171 4.350 0.000 0.000 0.268 637 T C 2.159 177.052 174.700 0.323 0.000 1.035 637 T CA 1.204 63.458 62.100 0.256 0.000 1.151 637 T CB -0.228 68.810 68.868 0.283 0.000 0.862 637 T HN 0.141 nan 8.240 nan 0.000 0.438 638 M N -0.253 119.406 119.600 0.099 0.000 2.117 638 M HA -0.010 4.470 4.480 0.000 0.000 0.262 638 M C 2.048 178.541 176.300 0.321 0.000 1.065 638 M CA 1.622 56.855 55.300 -0.111 0.000 1.114 638 M CB -0.406 31.943 32.600 -0.418 0.000 1.361 638 M HN 0.192 nan 8.290 nan 0.000 0.408 639 F N 0.742 120.809 119.950 0.195 0.000 2.146 639 F HA -0.125 4.402 4.527 0.000 0.000 0.298 639 F C 2.375 178.327 175.800 0.255 0.000 1.096 639 F CA 1.363 59.510 58.000 0.246 0.000 1.275 639 F CB -0.422 38.694 39.000 0.194 0.000 1.008 639 F HN 0.069 nan 8.300 nan 0.000 0.480 640 A N -0.021 123.011 122.820 0.353 0.000 1.884 640 A HA -0.329 3.991 4.320 0.000 0.000 0.219 640 A C 2.134 179.815 177.584 0.162 0.000 1.197 640 A CA 1.971 54.138 52.037 0.216 0.000 0.637 640 A CB -1.999 17.124 19.000 0.204 0.000 0.827 640 A HN 0.740 nan 8.150 nan 0.000 0.450 641 W N 0.486 121.850 121.300 0.107 0.000 2.318 641 W HA -0.240 4.420 4.660 0.000 0.000 0.313 641 W C 1.915 178.492 176.519 0.097 0.000 1.221 641 W CA 2.181 59.593 57.345 0.111 0.000 1.266 641 W CB -0.303 29.338 29.460 0.301 0.000 1.150 641 W HN 0.306 nan 8.180 nan 0.000 0.496 642 L N 0.489 121.984 121.223 0.453 0.000 2.012 642 L HA -0.292 4.048 4.340 0.000 0.000 0.210 642 L C 2.749 179.520 176.870 -0.165 0.000 1.073 642 L CA 1.431 56.373 54.840 0.170 0.000 0.748 642 L CB -0.950 41.109 42.059 0.001 0.000 0.891 642 L HN -0.121 nan 8.230 nan 0.000 0.431 643 K N -0.088 120.157 120.400 -0.257 0.000 2.057 643 K HA -0.208 4.112 4.320 0.000 0.000 0.207 643 K C 1.976 178.471 176.600 -0.174 0.000 1.049 643 K CA 1.366 57.520 56.287 -0.221 0.000 0.931 643 K CB -0.199 32.220 32.500 -0.136 0.000 0.714 643 K HN 0.377 nan 8.250 nan 0.000 0.440 644 E N 0.262 120.339 120.200 -0.205 0.000 2.230 644 E HA -0.071 4.279 4.350 0.000 0.000 0.192 644 E C 0.731 177.127 176.600 -0.339 0.000 0.987 644 E CA 0.638 56.899 56.400 -0.233 0.000 0.841 644 E CB 0.212 29.783 29.700 -0.216 0.000 0.783 644 E HN 0.287 nan 8.360 nan 0.000 0.481 645 N N 0.444 118.830 118.700 -0.524 0.000 2.250 645 N HA -0.035 4.705 4.740 0.000 0.000 0.190 645 N C -0.387 174.921 175.510 -0.338 0.000 1.116 645 N CA -0.031 52.661 53.050 -0.596 0.000 0.881 645 N CB 0.339 38.039 38.487 -1.310 0.000 1.006 645 N HN -0.026 nan 8.380 nan 0.000 0.491 646 N N 1.260 119.818 118.700 -0.236 0.000 2.666 646 N HA -0.124 4.616 4.740 0.000 0.000 0.274 646 N C -1.856 173.635 175.510 -0.031 0.000 1.043 646 N CA 0.178 53.165 53.050 -0.105 0.000 0.782 646 N CB 0.157 38.592 38.487 -0.087 0.000 0.912 646 N HN 0.244 nan 8.380 nan 0.000 0.556 647 P HA -0.022 nan 4.420 nan 0.000 0.223 647 P C 1.489 178.854 177.300 0.109 0.000 1.151 647 P CA 1.399 64.609 63.100 0.185 0.000 0.787 647 P CB -0.165 31.750 31.700 0.358 0.000 0.788 648 G N 0.835 109.664 108.800 0.048 0.000 2.418 648 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 648 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 648 G C 1.776 176.645 174.900 -0.050 0.000 1.158 648 G CA 0.990 46.086 45.100 -0.007 0.000 0.771 648 G HN 0.361 nan 8.290 nan 0.000 0.545 649 A N 0.631 123.428 122.820 -0.038 0.000 1.897 649 A HA 0.071 4.391 4.320 0.000 0.000 0.215 649 A C 2.461 180.009 177.584 -0.060 0.000 1.181 649 A CA 1.278 53.286 52.037 -0.047 0.000 0.620 649 A CB -0.329 18.648 19.000 -0.038 0.000 0.821 649 A HN 0.218 nan 8.150 nan 0.000 0.443 650 R N -0.592 119.885 120.500 -0.038 0.000 2.113 650 R HA -0.191 4.149 4.340 0.000 0.000 0.244 650 R C 2.174 178.335 176.300 -0.231 0.000 1.142 650 R CA 1.686 57.771 56.100 -0.026 0.000 0.953 650 R CB -1.188 29.199 30.300 0.145 0.000 0.860 650 R HN 0.622 nan 8.270 nan 0.000 0.438 651 L N 1.380 122.342 121.223 -0.435 0.000 1.989 651 L HA -0.217 4.123 4.340 0.000 0.000 0.211 651 L C 1.914 178.634 176.870 -0.251 0.000 1.071 651 L CA 1.608 56.017 54.840 -0.718 0.000 0.749 651 L CB -0.348 41.398 42.059 -0.522 0.000 0.890 651 L HN 0.184 nan 8.230 nan 0.000 0.431 652 N N -0.052 118.561 118.700 -0.146 0.000 2.166 652 N HA -0.215 4.525 4.740 0.000 0.000 0.186 652 N C 1.666 177.161 175.510 -0.025 0.000 1.019 652 N CA 1.493 54.510 53.050 -0.055 0.000 0.856 652 N CB -0.220 38.236 38.487 -0.051 0.000 0.993 652 N HN 0.518 nan 8.380 nan 0.000 0.426 653 E N 0.643 120.812 120.200 -0.052 0.000 2.106 653 E HA -0.029 4.321 4.350 0.000 0.000 0.192 653 E C 1.652 178.226 176.600 -0.043 0.000 0.984 653 E CA 0.886 57.264 56.400 -0.036 0.000 0.806 653 E CB -0.019 29.662 29.700 -0.031 0.000 0.750 653 E HN 0.339 nan 8.360 nan 0.000 0.458 654 A N -0.215 122.563 122.820 -0.070 0.000 2.167 654 A HA -0.071 4.249 4.320 0.000 0.000 0.214 654 A C 0.907 178.319 177.584 -0.287 0.000 1.151 654 A CA 0.744 52.702 52.037 -0.133 0.000 0.735 654 A CB -0.087 18.845 19.000 -0.114 0.000 0.802 654 A HN 0.255 nan 8.150 nan 0.000 0.467 655 Y N -1.587 118.644 120.300 -0.116 0.000 2.588 655 Y HA 0.219 4.769 4.550 0.000 0.000 0.247 655 Y C 2.219 178.074 175.900 -0.075 0.000 1.157 655 Y CA 0.157 58.200 58.100 -0.095 0.000 1.215 655 Y CB 0.369 38.762 38.460 -0.111 0.000 1.245 655 Y HN 0.218 nan 8.280 nan 0.000 0.534 656 S N -0.261 115.459 115.700 0.033 0.000 2.317 656 S HA 0.045 4.515 4.470 0.000 0.000 0.212 656 S C 1.316 175.915 174.600 -0.003 0.000 1.030 656 S CA 0.926 59.133 58.200 0.012 0.000 0.970 656 S CB -0.616 62.583 63.200 -0.002 0.000 0.928 656 S HN 0.404 nan 8.310 nan 0.000 0.451 657 G N 1.332 110.120 108.800 -0.019 0.000 2.338 657 G HA2 0.546 4.506 3.960 0.000 0.000 0.298 657 G HA3 0.546 4.506 3.960 0.000 0.000 0.298 657 G C -0.637 174.236 174.900 -0.044 0.000 1.140 657 G CA -0.611 44.476 45.100 -0.021 0.000 0.860 657 G HN 0.330 nan 8.290 nan 0.000 0.470 658 L N 3.107 124.312 121.223 -0.030 0.000 2.490 658 L HA 0.144 4.484 4.340 0.000 0.000 0.274 658 L C -1.521 175.311 176.870 -0.063 0.000 1.201 658 L CA -1.267 53.540 54.840 -0.054 0.000 0.869 658 L CB 0.333 42.395 42.059 0.005 0.000 1.123 658 L HN 0.333 nan 8.230 nan 0.000 0.484 659 P HA 0.003 nan 4.420 nan 0.000 0.269 659 P C -0.633 176.632 177.300 -0.058 0.000 1.217 659 P CA -0.375 62.662 63.100 -0.104 0.000 0.783 659 P CB 0.399 31.990 31.700 -0.182 0.000 0.898 660 V N 1.577 121.465 119.914 -0.043 0.000 2.508 660 V HA 0.260 4.380 4.120 0.000 0.000 0.281 660 V C 0.713 176.797 176.094 -0.015 0.000 1.041 660 V CA -0.238 62.053 62.300 -0.015 0.000 1.016 660 V CB 0.279 32.099 31.823 -0.006 0.000 0.984 660 V HN 0.679 nan 8.190 nan 0.000 0.478 661 A N 4.081 126.909 122.820 0.012 0.000 2.376 661 A HA 0.318 4.638 4.320 0.000 0.000 0.298 661 A C 0.930 178.522 177.584 0.013 0.000 1.271 661 A CA -0.234 51.816 52.037 0.023 0.000 0.926 661 A CB 0.084 19.119 19.000 0.060 0.000 1.141 661 A HN 0.997 nan 8.150 nan 0.000 0.539 662 E N 1.720 121.924 120.200 0.006 0.000 2.024 662 E HA 0.073 4.423 4.350 0.000 0.000 0.190 662 E C 0.667 177.275 176.600 0.013 0.000 0.974 662 E CA 1.431 57.836 56.400 0.009 0.000 0.810 662 E CB 0.178 29.883 29.700 0.009 0.000 0.775 662 E HN 0.732 nan 8.360 nan 0.000 0.453 663 V N -0.965 118.958 119.914 0.015 0.000 3.046 663 V HA 0.502 4.622 4.120 0.000 0.000 0.316 663 V C 0.229 176.340 176.094 0.027 0.000 1.104 663 V CA -0.652 61.659 62.300 0.019 0.000 1.006 663 V CB 1.161 32.996 31.823 0.019 0.000 1.058 663 V HN 0.285 nan 8.190 nan 0.000 0.440 664 T N -0.752 113.819 114.554 0.028 0.000 2.856 664 T HA 0.317 4.667 4.350 0.000 0.000 0.306 664 T C -1.642 173.087 174.700 0.048 0.000 1.062 664 T CA -0.610 61.511 62.100 0.035 0.000 1.083 664 T CB 0.711 69.592 68.868 0.023 0.000 0.984 664 T HN 0.627 nan 8.240 nan 0.000 0.542 665 P HA -0.067 nan 4.420 nan 0.000 0.216 665 P C 1.699 179.052 177.300 0.088 0.000 1.150 665 P CA 0.906 64.046 63.100 0.067 0.000 0.837 665 P CB 0.003 31.740 31.700 0.063 0.000 0.786 666 R N 0.667 121.208 120.500 0.069 0.000 2.080 666 R HA -0.189 4.151 4.340 0.000 0.000 0.236 666 R C 2.053 178.426 176.300 0.122 0.000 1.137 666 R CA 1.901 58.059 56.100 0.095 0.000 0.943 666 R CB -0.567 29.762 30.300 0.049 0.000 0.846 666 R HN 0.154 nan 8.270 nan 0.000 0.431 667 E N -0.157 120.086 120.200 0.072 0.000 2.110 667 E HA -0.189 4.161 4.350 0.000 0.000 0.193 667 E C 1.963 178.591 176.600 0.047 0.000 0.988 667 E CA 1.226 57.656 56.400 0.051 0.000 0.804 667 E CB -0.137 29.581 29.700 0.031 0.000 0.745 667 E HN 0.517 nan 8.360 nan 0.000 0.458 668 A N 0.679 123.535 122.820 0.059 0.000 1.902 668 A HA -0.216 4.104 4.320 0.000 0.000 0.217 668 A C 2.037 179.655 177.584 0.056 0.000 1.181 668 A CA 1.361 53.429 52.037 0.051 0.000 0.623 668 A CB -0.720 18.312 19.000 0.055 0.000 0.818 668 A HN 0.422 nan 8.150 nan 0.000 0.443 669 Y N 1.446 121.750 120.300 0.006 0.000 2.200 669 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 669 Y C 2.037 177.940 175.900 0.004 0.000 1.137 669 Y CA 1.958 60.061 58.100 0.005 0.000 1.163 669 Y CB -0.282 38.179 38.460 0.002 0.000 0.988 669 Y HN 0.325 nan 8.280 nan 0.000 0.518 670 N N 0.682 119.354 118.700 -0.047 0.000 2.258 670 N HA -0.196 4.545 4.740 0.000 0.000 0.187 670 N C 1.896 177.313 175.510 -0.154 0.000 1.012 670 N CA 1.309 54.298 53.050 -0.102 0.000 0.870 670 N CB -0.675 37.815 38.487 0.006 0.000 0.977 670 N HN 0.557 nan 8.380 nan 0.000 0.434 671 A N 0.635 123.381 122.820 -0.122 0.000 1.972 671 A HA -0.050 4.270 4.320 0.000 0.000 0.219 671 A C 2.261 179.756 177.584 -0.147 0.000 1.169 671 A CA 0.763 52.741 52.037 -0.099 0.000 0.635 671 A CB -0.499 18.470 19.000 -0.051 0.000 0.810 671 A HN 0.235 nan 8.150 nan 0.000 0.446 672 I N -0.325 120.089 120.570 -0.260 0.000 2.252 672 I HA -0.190 3.980 4.170 0.000 0.000 0.245 672 I C 2.272 178.234 176.117 -0.259 0.000 1.102 672 I CA 1.083 62.218 61.300 -0.274 0.000 1.385 672 I CB -0.305 37.464 38.000 -0.386 0.000 1.064 672 I HN 0.162 nan 8.210 nan 0.000 0.414 673 V N 0.352 120.059 119.914 -0.346 0.000 2.343 673 V HA -0.269 3.851 4.120 0.000 0.000 0.247 673 V C 1.608 177.633 176.094 -0.114 0.000 1.051 673 V CA 1.790 63.966 62.300 -0.207 0.000 1.036 673 V CB -0.754 30.966 31.823 -0.172 0.000 0.654 673 V HN 0.401 nan 8.190 nan 0.000 0.451 674 D N -0.077 120.259 120.400 -0.106 0.000 2.378 674 D HA -0.049 4.591 4.640 0.000 0.000 0.227 674 D C 1.072 177.339 176.300 -0.055 0.000 1.012 674 D CA 0.491 54.452 54.000 -0.064 0.000 0.905 674 D CB -0.521 40.248 40.800 -0.051 0.000 0.895 674 D HN 0.487 nan 8.370 nan 0.000 0.532 675 N N 0.857 119.517 118.700 -0.067 0.000 2.747 675 N HA -0.230 4.510 4.740 0.000 0.000 0.249 675 N C -0.543 174.945 175.510 -0.037 0.000 1.107 675 N CA 0.287 53.308 53.050 -0.048 0.000 0.707 675 N CB -1.600 36.866 38.487 -0.035 0.000 1.054 675 N HN 0.085 nan 8.380 nan 0.000 0.555 676 N N -0.088 118.586 118.700 -0.042 0.000 2.671 676 N HA 0.320 5.060 4.740 0.000 0.000 0.303 676 N C -0.910 174.588 175.510 -0.020 0.000 1.351 676 N CA 0.185 53.219 53.050 -0.027 0.000 0.991 676 N CB 0.251 38.722 38.487 -0.027 0.000 1.307 676 N HN 0.267 nan 8.380 nan 0.000 0.512 677 V N -2.301 117.603 119.914 -0.017 0.000 3.188 677 V HA 0.807 4.927 4.120 0.000 0.000 0.305 677 V C -1.033 175.063 176.094 0.004 0.000 1.232 677 V CA -1.076 61.221 62.300 -0.004 0.000 1.043 677 V CB 2.120 33.937 31.823 -0.012 0.000 1.068 677 V HN 0.313 nan 8.190 nan 0.000 0.439 678 E N 1.671 121.882 120.200 0.019 0.000 2.401 678 E HA 0.514 4.864 4.350 0.000 0.000 0.280 678 E C -1.748 174.877 176.600 0.041 0.000 1.039 678 E CA -1.094 55.319 56.400 0.022 0.000 0.814 678 E CB 2.435 32.148 29.700 0.021 0.000 1.275 678 E HN 0.692 nan 8.360 nan 0.000 0.448 679 L N 1.932 123.178 121.223 0.039 0.000 2.369 679 L HA 0.278 4.619 4.340 0.000 0.000 0.279 679 L C -0.756 176.196 176.870 0.136 0.000 1.108 679 L CA -0.608 54.276 54.840 0.073 0.000 0.852 679 L CB 0.970 43.031 42.059 0.003 0.000 1.169 679 L HN 0.371 nan 8.230 nan 0.000 0.452 680 V N 3.543 123.543 119.914 0.144 0.000 2.384 680 V HA 0.196 4.316 4.120 0.000 0.000 0.287 680 V C 0.485 176.602 176.094 0.038 0.000 1.020 680 V CA -0.395 61.958 62.300 0.088 0.000 0.850 680 V CB 1.681 33.509 31.823 0.008 0.000 0.987 680 V HN 0.790 nan 8.190 nan 0.000 0.436 681 S N 3.018 118.698 115.700 -0.034 0.000 2.569 681 S HA 0.153 4.623 4.470 0.000 0.000 0.274 681 S C 1.385 175.793 174.600 -0.320 0.000 1.353 681 S CA 0.002 57.930 58.200 -0.454 0.000 1.023 681 S CB 0.347 63.399 63.200 -0.247 0.000 0.876 681 S HN 0.703 nan 8.310 nan 0.000 0.540 682 I N 2.224 122.586 120.570 -0.346 0.000 2.163 682 I HA -0.162 4.008 4.170 0.000 0.000 0.243 682 I C 1.786 177.779 176.117 -0.207 0.000 1.085 682 I CA 1.652 62.808 61.300 -0.241 0.000 1.347 682 I CB -0.096 37.789 38.000 -0.191 0.000 1.044 682 I HN 0.643 nan 8.210 nan 0.000 0.408 683 E N 0.900 121.001 120.200 -0.165 0.000 2.409 683 E HA -0.107 4.243 4.350 0.000 0.000 0.198 683 E C 0.952 177.487 176.600 -0.108 0.000 1.024 683 E CA 0.577 56.905 56.400 -0.120 0.000 0.861 683 E CB -0.410 29.237 29.700 -0.088 0.000 0.788 683 E HN 0.655 nan 8.360 nan 0.000 0.521 684 N N 0.104 118.731 118.700 -0.122 0.000 2.235 684 N HA 0.100 4.840 4.740 0.000 0.000 0.209 684 N C 1.513 176.949 175.510 -0.122 0.000 1.122 684 N CA 0.001 52.995 53.050 -0.093 0.000 0.845 684 N CB 0.526 38.977 38.487 -0.060 0.000 1.004 684 N HN 0.169 nan 8.380 nan 0.000 0.499 685 L N 0.673 121.767 121.223 -0.215 0.000 2.156 685 L HA 0.060 4.400 4.340 0.000 0.000 0.208 685 L C -1.471 175.283 176.870 -0.193 0.000 1.095 685 L CA 0.448 55.068 54.840 -0.366 0.000 0.770 685 L CB -1.235 40.356 42.059 -0.780 0.000 0.914 685 L HN -0.107 nan 8.230 nan 0.000 0.439 686 P HA 0.017 nan 4.420 nan 0.000 0.264 686 P C 0.665 177.991 177.300 0.042 0.000 1.193 686 P CA 1.352 64.459 63.100 0.011 0.000 0.763 686 P CB 0.475 32.171 31.700 -0.006 0.000 0.810 687 G N 1.750 110.604 108.800 0.091 0.000 2.143 687 G HA2 -0.212 3.748 3.960 0.000 0.000 0.249 687 G HA3 -0.212 3.748 3.960 0.000 0.000 0.249 687 G C 0.089 175.047 174.900 0.098 0.000 0.981 687 G CA -0.398 44.748 45.100 0.077 0.000 0.665 687 G HN 0.511 nan 8.290 nan 0.000 0.528 688 R N -0.428 120.174 120.500 0.169 0.000 2.589 688 R HA 0.632 4.972 4.340 0.000 0.000 0.293 688 R C 0.216 176.678 176.300 0.270 0.000 0.963 688 R CA -1.066 55.151 56.100 0.194 0.000 0.905 688 R CB 1.158 31.555 30.300 0.162 0.000 1.144 688 R HN 0.241 nan 8.270 nan 0.000 0.459 689 I N 2.076 122.740 120.570 0.157 0.000 2.337 689 I HA 0.157 4.327 4.170 0.000 0.000 0.291 689 I C 0.785 176.971 176.117 0.114 0.000 1.046 689 I CA -0.324 61.028 61.300 0.087 0.000 1.324 689 I CB 1.308 39.336 38.000 0.047 0.000 1.409 689 I HN 0.535 nan 8.210 nan 0.000 0.494 690 A N 5.162 127.995 122.820 0.022 0.000 2.548 690 A HA 0.297 4.617 4.320 0.000 0.000 0.247 690 A C 1.286 178.901 177.584 0.051 0.000 1.067 690 A CA 0.441 52.506 52.037 0.048 0.000 0.757 690 A CB 0.230 19.127 19.000 -0.171 0.000 0.996 690 A HN 0.962 nan 8.150 nan 0.000 0.504 691 A N 3.027 125.898 122.820 0.086 0.000 2.072 691 A HA 0.208 4.528 4.320 0.000 0.000 0.216 691 A C 0.824 178.453 177.584 0.075 0.000 1.156 691 A CA 1.160 53.236 52.037 0.064 0.000 0.701 691 A CB -0.449 18.583 19.000 0.052 0.000 0.816 691 A HN 1.062 nan 8.150 nan 0.000 0.458 692 N N -1.630 117.115 118.700 0.075 0.000 2.831 692 N HA 0.457 5.197 4.740 0.000 0.000 0.276 692 N C -0.458 175.075 175.510 0.039 0.000 1.416 692 N CA -0.020 53.072 53.050 0.070 0.000 0.799 692 N CB 0.607 39.142 38.487 0.080 0.000 1.554 692 N HN 0.003 nan 8.380 nan 0.000 0.541 693 S N -0.846 114.870 115.700 0.026 0.000 2.592 693 S HA 0.576 5.046 4.470 0.000 0.000 0.271 693 S C -0.290 174.324 174.600 0.024 0.000 1.326 693 S CA -0.736 57.463 58.200 -0.002 0.000 1.024 693 S CB 0.669 63.862 63.200 -0.012 0.000 0.921 693 S HN 0.486 nan 8.310 nan 0.000 0.527 694 V N 2.559 122.479 119.914 0.009 0.000 2.409 694 V HA 0.445 4.565 4.120 0.000 0.000 0.290 694 V C -0.645 175.478 176.094 0.048 0.000 1.017 694 V CA -0.545 61.790 62.300 0.058 0.000 0.841 694 V CB 0.610 32.498 31.823 0.109 0.000 1.003 694 V HN 0.874 nan 8.190 nan 0.000 0.426 695 I N 7.344 127.953 120.570 0.065 0.000 2.437 695 I HA 0.417 4.587 4.170 0.000 0.000 0.279 695 I C -2.564 173.569 176.117 0.027 0.000 1.028 695 I CA -1.838 59.473 61.300 0.019 0.000 1.142 695 I CB 2.367 40.361 38.000 -0.011 0.000 1.266 695 I HN 0.398 nan 8.210 nan 0.000 0.461 696 P HA 0.260 nan 4.420 nan 0.000 0.286 696 P C -1.492 175.754 177.300 -0.090 0.000 1.261 696 P CA -0.404 62.743 63.100 0.078 0.000 0.821 696 P CB 0.693 32.477 31.700 0.139 0.000 1.013 697 Y N 2.732 123.084 120.300 0.086 0.000 2.345 697 Y HA 0.362 4.912 4.550 0.000 0.000 0.331 697 Y C -1.677 174.295 175.900 0.121 0.000 0.959 697 Y CA -2.124 56.020 58.100 0.074 0.000 1.204 697 Y CB 1.238 39.725 38.460 0.044 0.000 1.135 697 Y HN 0.308 nan 8.280 nan 0.000 0.477 698 P HA 0.229 nan 4.420 nan 0.000 0.279 698 P C -2.388 174.939 177.300 0.045 0.000 1.276 698 P CA -1.979 61.151 63.100 0.049 0.000 0.801 698 P CB 1.434 33.150 31.700 0.027 0.000 1.127 699 P HA 0.060 nan 4.420 nan 0.000 0.257 699 P C 0.866 177.983 177.300 -0.305 0.000 1.281 699 P CA 0.595 63.550 63.100 -0.240 0.000 0.826 699 P CB -0.419 31.024 31.700 -0.428 0.000 1.237 700 G N 1.287 109.766 108.800 -0.534 0.000 2.225 700 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 700 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 700 G C 0.076 174.679 174.900 -0.495 0.000 1.024 700 G CA 0.532 45.023 45.100 -1.016 0.000 0.784 700 G HN 0.591 nan 8.290 nan 0.000 0.507 701 I N -3.046 117.372 120.570 -0.254 0.000 2.846 701 I HA 0.824 4.994 4.170 0.000 0.000 0.307 701 I C -2.332 173.820 176.117 0.059 0.000 1.053 701 I CA -3.436 57.834 61.300 -0.049 0.000 1.050 701 I CB 2.303 40.325 38.000 0.036 0.000 1.239 701 I HN -0.113 nan 8.210 nan 0.000 0.439 702 P HA 0.066 nan 4.420 nan 0.000 0.271 702 P C -0.017 177.313 177.300 0.050 0.000 1.220 702 P CA -0.065 63.055 63.100 0.034 0.000 0.768 702 P CB 1.310 32.989 31.700 -0.037 0.000 0.848 703 M N 3.382 122.962 119.600 -0.033 0.000 2.191 703 M HA 0.011 4.491 4.480 0.000 0.000 0.262 703 M C -0.075 176.042 176.300 -0.305 0.000 1.083 703 M CA 1.609 56.704 55.300 -0.342 0.000 1.154 703 M CB 0.123 32.581 32.600 -0.238 0.000 1.344 703 M HN 0.201 nan 8.290 nan 0.000 0.431 704 L N 0.552 121.641 121.223 -0.224 0.000 2.346 704 L HA 0.505 4.845 4.340 0.000 0.000 0.274 704 L C -0.766 175.987 176.870 -0.196 0.000 1.007 704 L CA -0.344 54.330 54.840 -0.277 0.000 0.818 704 L CB 1.997 43.795 42.059 -0.434 0.000 1.284 704 L HN 0.158 nan 8.230 nan 0.000 0.424 705 L N 0.366 121.469 121.223 -0.200 0.000 2.416 705 L HA 0.508 4.848 4.340 0.000 0.000 0.263 705 L C 0.327 177.147 176.870 -0.084 0.000 1.065 705 L CA -0.809 53.961 54.840 -0.118 0.000 0.798 705 L CB 1.551 43.546 42.059 -0.106 0.000 1.267 705 L HN 0.547 nan 8.230 nan 0.000 0.467 706 S N 0.374 116.061 115.700 -0.022 0.000 2.537 706 S HA 0.293 4.763 4.470 0.000 0.000 0.286 706 S C 0.852 175.456 174.600 0.007 0.000 1.299 706 S CA 0.508 58.711 58.200 0.006 0.000 1.067 706 S CB 0.738 63.971 63.200 0.055 0.000 0.864 706 S HN 1.007 nan 8.310 nan 0.000 0.494 707 G N 2.363 111.160 108.800 -0.005 0.000 2.176 707 G HA2 -0.194 3.766 3.960 0.000 0.000 0.232 707 G HA3 -0.194 3.766 3.960 0.000 0.000 0.232 707 G C -0.277 174.607 174.900 -0.027 0.000 0.986 707 G CA -0.216 44.884 45.100 0.001 0.000 0.643 707 G HN 0.634 nan 8.290 nan 0.000 0.522 708 E N 0.517 120.666 120.200 -0.085 0.000 2.242 708 E HA 0.399 4.749 4.350 0.000 0.000 0.275 708 E C -0.226 176.261 176.600 -0.188 0.000 1.002 708 E CA -0.806 55.519 56.400 -0.126 0.000 0.841 708 E CB 0.891 30.488 29.700 -0.171 0.000 1.109 708 E HN 0.174 nan 8.360 nan 0.000 0.394 709 N N 2.180 120.806 118.700 -0.125 0.000 2.472 709 N HA 0.061 4.801 4.740 0.000 0.000 0.277 709 N C 0.145 175.591 175.510 -0.107 0.000 1.081 709 N CA 0.005 53.016 53.050 -0.066 0.000 0.973 709 N CB 0.528 39.015 38.487 0.001 0.000 1.105 709 N HN 0.412 nan 8.380 nan 0.000 0.470 710 F N 2.300 122.243 119.950 -0.012 0.000 2.333 710 F HA 0.022 4.549 4.527 0.000 0.000 0.300 710 F C 1.912 177.700 175.800 -0.020 0.000 1.083 710 F CA 1.394 59.383 58.000 -0.018 0.000 1.395 710 F CB -0.379 38.614 39.000 -0.011 0.000 1.056 710 F HN 0.746 nan 8.300 nan 0.000 0.529 711 G N -0.016 108.871 108.800 0.144 0.000 2.549 711 G HA2 -0.141 3.819 3.960 0.000 0.000 0.404 711 G HA3 -0.141 3.819 3.960 0.000 0.000 0.404 711 G C -0.915 174.028 174.900 0.070 0.000 1.292 711 G CA -0.576 44.571 45.100 0.077 0.000 0.935 711 G HN 0.345 nan 8.290 nan 0.000 0.512 712 D N -0.335 120.090 120.400 0.042 0.000 2.376 712 D HA 0.421 5.061 4.640 0.000 0.000 0.268 712 D C 1.571 177.885 176.300 0.023 0.000 1.252 712 D CA 0.153 54.169 54.000 0.028 0.000 1.041 712 D CB 0.341 41.151 40.800 0.017 0.000 1.109 712 D HN 0.592 nan 8.370 nan 0.000 0.552 713 K N -1.234 119.172 120.400 0.010 0.000 2.280 713 K HA -0.030 4.290 4.320 0.000 0.000 0.202 713 K C 0.476 177.076 176.600 0.001 0.000 1.047 713 K CA 0.763 57.051 56.287 0.001 0.000 0.942 713 K CB -0.268 32.229 32.500 -0.004 0.000 0.739 713 K HN 0.307 nan 8.250 nan 0.000 0.457 714 N N 1.068 119.771 118.700 0.005 0.000 2.389 714 N HA -0.031 4.709 4.740 0.000 0.000 0.237 714 N C -0.460 175.057 175.510 0.012 0.000 1.148 714 N CA 0.154 53.206 53.050 0.004 0.000 0.854 714 N CB 0.661 39.149 38.487 0.002 0.000 1.115 714 N HN -0.069 nan 8.380 nan 0.000 0.492 715 S N 2.439 118.152 115.700 0.021 0.000 2.509 715 S HA 0.091 4.561 4.470 0.000 0.000 0.287 715 S C -1.044 173.580 174.600 0.040 0.000 1.248 715 S CA -1.178 57.046 58.200 0.040 0.000 1.089 715 S CB 0.805 64.047 63.200 0.071 0.000 0.900 715 S HN 0.164 nan 8.310 nan 0.000 0.496 716 P HA -0.112 nan 4.420 nan 0.000 0.217 716 P C 1.054 178.395 177.300 0.067 0.000 1.150 716 P CA 1.031 64.150 63.100 0.031 0.000 0.832 716 P CB 0.157 31.857 31.700 -0.001 0.000 0.787 717 Q N -0.092 119.748 119.800 0.067 0.000 2.061 717 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 717 Q C 2.316 178.424 176.000 0.180 0.000 0.984 717 Q CA 1.470 57.345 55.803 0.119 0.000 0.846 717 Q CB -1.593 27.216 28.738 0.117 0.000 0.902 717 Q HN 0.082 nan 8.270 nan 0.000 0.421 718 V N 0.016 120.017 119.914 0.144 0.000 2.343 718 V HA -0.258 3.862 4.120 0.000 0.000 0.247 718 V C 2.133 178.243 176.094 0.028 0.000 1.051 718 V CA 1.857 64.187 62.300 0.050 0.000 1.036 718 V CB -0.772 31.041 31.823 -0.016 0.000 0.654 718 V HN 0.302 nan 8.190 nan 0.000 0.451 719 S N -0.990 114.741 115.700 0.053 0.000 2.365 719 S HA -0.262 4.208 4.470 0.000 0.000 0.225 719 S C 1.922 176.587 174.600 0.108 0.000 1.039 719 S CA 2.096 60.328 58.200 0.053 0.000 1.033 719 S CB -0.494 62.739 63.200 0.055 0.000 0.887 719 S HN 0.662 nan 8.310 nan 0.000 0.447 720 Y N 2.289 122.591 120.300 0.004 0.000 2.165 720 Y HA -0.092 4.458 4.550 0.000 0.000 0.286 720 Y C 1.914 177.815 175.900 0.002 0.000 1.155 720 Y CA 0.988 59.100 58.100 0.020 0.000 1.164 720 Y CB -0.731 37.757 38.460 0.047 0.000 0.978 720 Y HN 0.171 nan 8.280 nan 0.000 0.513 721 L N -0.440 120.746 121.223 -0.061 0.000 2.012 721 L HA -0.293 4.047 4.340 0.000 0.000 0.210 721 L C 2.657 179.334 176.870 -0.321 0.000 1.073 721 L CA 1.725 56.464 54.840 -0.167 0.000 0.748 721 L CB -0.629 41.421 42.059 -0.015 0.000 0.891 721 L HN 0.108 nan 8.230 nan 0.000 0.431 722 R N -0.025 120.353 120.500 -0.203 0.000 2.117 722 R HA -0.181 4.159 4.340 0.000 0.000 0.243 722 R C 2.615 178.830 176.300 -0.142 0.000 1.143 722 R CA 1.891 57.870 56.100 -0.203 0.000 0.968 722 R CB -0.393 29.843 30.300 -0.107 0.000 0.863 722 R HN 0.552 nan 8.270 nan 0.000 0.444 723 S N 0.535 116.211 115.700 -0.040 0.000 2.377 723 S HA -0.035 4.435 4.470 0.000 0.000 0.223 723 S C 2.098 176.790 174.600 0.153 0.000 1.030 723 S CA 0.444 58.750 58.200 0.176 0.000 0.970 723 S CB -0.421 62.939 63.200 0.266 0.000 0.830 723 S HN 0.174 nan 8.310 nan 0.000 0.473 724 L N 1.576 122.678 121.223 -0.201 0.000 2.013 724 L HA -0.206 4.134 4.340 0.000 0.000 0.212 724 L C 3.167 179.966 176.870 -0.117 0.000 1.073 724 L CA 2.136 56.781 54.840 -0.323 0.000 0.753 724 L CB -0.740 41.042 42.059 -0.461 0.000 0.890 724 L HN 0.461 nan 8.230 nan 0.000 0.432 725 Q N -0.618 118.886 119.800 -0.493 0.000 2.124 725 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 725 Q C 2.383 178.170 176.000 -0.355 0.000 0.977 725 Q CA 1.989 57.407 55.803 -0.643 0.000 0.850 725 Q CB -0.063 28.087 28.738 -0.979 0.000 0.901 725 Q HN 0.401 nan 8.270 nan 0.000 0.429 726 S N -0.108 115.512 115.700 -0.133 0.000 2.355 726 S HA -0.162 4.308 4.470 0.000 0.000 0.222 726 S C 1.487 176.215 174.600 0.214 0.000 1.031 726 S CA 1.043 59.295 58.200 0.087 0.000 0.993 726 S CB -0.731 62.720 63.200 0.419 0.000 0.859 726 S HN 0.718 nan 8.310 nan 0.000 0.453 727 W N 2.439 123.724 121.300 -0.025 0.000 2.317 727 W HA -0.207 4.453 4.660 0.000 0.000 0.318 727 W C 1.310 177.792 176.519 -0.061 0.000 1.227 727 W CA 2.220 59.312 57.345 -0.422 0.000 1.269 727 W CB -0.982 28.239 29.460 -0.397 0.000 1.155 727 W HN 0.347 nan 8.180 nan 0.000 0.484 728 D N -1.074 119.481 120.400 0.258 0.000 2.133 728 D HA -0.223 4.417 4.640 0.000 0.000 0.195 728 D C 1.976 178.323 176.300 0.079 0.000 0.997 728 D CA 1.894 56.035 54.000 0.235 0.000 0.840 728 D CB -1.128 39.909 40.800 0.395 0.000 0.947 728 D HN 0.463 nan 8.370 nan 0.000 0.452 729 H N -1.014 117.964 119.070 -0.154 0.000 2.389 729 H HA -0.052 4.504 4.556 0.000 0.000 0.299 729 H C 1.874 176.936 175.328 -0.442 0.000 1.081 729 H CA 0.930 56.817 56.048 -0.269 0.000 1.345 729 H CB 0.082 29.669 29.762 -0.293 0.000 1.393 729 H HN 0.360 nan 8.280 nan 0.000 0.520 730 H N -0.918 117.915 119.070 -0.393 0.000 2.395 730 H HA -0.025 4.531 4.556 0.000 0.000 0.299 730 H C -0.086 174.544 175.328 -1.163 0.000 1.070 730 H CA 0.614 56.140 56.048 -0.871 0.000 1.356 730 H CB 0.350 29.371 29.762 -1.235 0.000 1.401 730 H HN 0.111 nan 8.280 nan 0.000 0.524 731 F N 0.916 120.625 119.950 -0.400 0.000 2.449 731 F HA 0.318 4.845 4.527 0.000 0.000 0.344 731 F C -2.497 173.262 175.800 -0.069 0.000 1.180 731 F CA -3.514 54.290 58.000 -0.327 0.000 1.209 731 F CB 0.670 39.165 39.000 -0.843 0.000 1.440 731 F HN -0.173 nan 8.300 nan 0.000 0.526 732 P HA 0.225 nan 4.420 nan 0.000 0.268 732 P C 0.979 178.233 177.300 -0.078 0.000 1.204 732 P CA 0.847 63.740 63.100 -0.344 0.000 0.768 732 P CB 0.963 31.956 31.700 -1.178 0.000 0.842 733 G N 1.510 110.331 108.800 0.034 0.000 2.175 733 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 733 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 733 G C 0.289 174.973 174.900 -0.359 0.000 0.982 733 G CA -0.292 44.794 45.100 -0.025 0.000 0.641 733 G HN 0.462 nan 8.290 nan 0.000 0.527 734 F N 1.294 121.327 119.950 0.138 0.000 2.775 734 F HA 0.428 4.955 4.527 0.000 0.000 0.313 734 F C 0.760 176.715 175.800 0.258 0.000 1.121 734 F CA -0.685 57.428 58.000 0.187 0.000 1.206 734 F CB 0.645 39.777 39.000 0.220 0.000 1.052 734 F HN 0.013 nan 8.300 nan 0.000 0.524 735 E N 0.762 121.141 120.200 0.298 0.000 2.442 735 E HA -0.021 4.329 4.350 0.000 0.000 0.262 735 E C 0.270 176.990 176.600 0.200 0.000 1.004 735 E CA 0.447 57.028 56.400 0.301 0.000 0.928 735 E CB 0.221 30.061 29.700 0.233 0.000 0.937 735 E HN 0.216 nan 8.360 nan 0.000 0.446 736 H N 1.883 121.123 119.070 0.283 0.000 2.671 736 H HA 0.125 4.681 4.556 0.000 0.000 0.372 736 H C -0.012 175.389 175.328 0.122 0.000 1.227 736 H CA 0.067 56.213 56.048 0.164 0.000 1.426 736 H CB 0.799 30.648 29.762 0.144 0.000 1.480 736 H HN 0.434 nan 8.280 nan 0.000 0.611 737 E N 1.598 121.932 120.200 0.224 0.000 2.166 737 E HA 0.272 4.622 4.350 0.000 0.000 0.275 737 E C -0.606 176.128 176.600 0.223 0.000 0.941 737 E CA -0.620 55.852 56.400 0.121 0.000 0.784 737 E CB 1.764 31.436 29.700 -0.046 0.000 1.115 737 E HN 0.484 nan 8.360 nan 0.000 0.399 738 T N 1.986 116.617 114.554 0.128 0.000 2.890 738 T HA 0.228 4.578 4.350 0.000 0.000 0.295 738 T C -0.088 174.672 174.700 0.099 0.000 0.993 738 T CA -0.729 61.460 62.100 0.149 0.000 0.979 738 T CB 1.465 70.365 68.868 0.054 0.000 0.967 738 T HN 0.218 nan 8.240 nan 0.000 0.441 739 E N 1.252 121.556 120.200 0.173 0.000 2.360 739 E HA 0.401 4.751 4.350 0.000 0.000 0.269 739 E C 1.128 177.774 176.600 0.078 0.000 1.022 739 E CA 0.660 57.127 56.400 0.112 0.000 0.887 739 E CB 0.786 30.571 29.700 0.142 0.000 0.990 739 E HN 1.057 nan 8.360 nan 0.000 0.426 740 G N 2.779 111.612 108.800 0.055 0.000 2.175 740 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 740 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 740 G C 0.392 175.327 174.900 0.058 0.000 0.982 740 G CA 0.409 45.545 45.100 0.061 0.000 0.641 740 G HN 0.639 nan 8.290 nan 0.000 0.527 741 T N -1.776 112.787 114.554 0.016 0.000 2.943 741 T HA 0.744 5.094 4.350 0.000 0.000 0.284 741 T C -0.469 174.210 174.700 -0.034 0.000 1.015 741 T CA -0.435 61.651 62.100 -0.024 0.000 1.042 741 T CB 2.802 71.564 68.868 -0.176 0.000 1.055 741 T HN 0.266 nan 8.240 nan 0.000 0.500 742 E N 0.756 120.953 120.200 -0.004 0.000 2.234 742 E HA 0.501 4.852 4.350 0.000 0.000 0.266 742 E C -0.996 175.623 176.600 0.033 0.000 0.877 742 E CA -0.678 55.719 56.400 -0.004 0.000 0.758 742 E CB 2.314 32.013 29.700 -0.002 0.000 1.170 742 E HN 0.578 nan 8.360 nan 0.000 0.415 743 I N 4.312 124.888 120.570 0.010 0.000 2.330 743 I HA 0.350 4.520 4.170 0.000 0.000 0.289 743 I C -0.575 175.600 176.117 0.096 0.000 1.001 743 I CA -0.386 60.964 61.300 0.082 0.000 1.193 743 I CB 0.820 38.839 38.000 0.033 0.000 1.345 743 I HN 0.345 nan 8.210 nan 0.000 0.461 744 I N 5.953 126.623 120.570 0.166 0.000 2.410 744 I HA 0.242 4.412 4.170 0.000 0.000 0.286 744 I C -0.490 175.706 176.117 0.133 0.000 1.009 744 I CA -0.518 60.830 61.300 0.080 0.000 1.111 744 I CB 1.372 39.321 38.000 -0.086 0.000 1.262 744 I HN 0.578 nan 8.210 nan 0.000 0.443 745 D N 5.493 125.940 120.400 0.078 0.000 2.708 745 D HA -0.203 4.437 4.640 0.000 0.000 0.236 745 D C 1.165 177.510 176.300 0.074 0.000 1.146 745 D CA 1.549 55.585 54.000 0.060 0.000 0.662 745 D CB -0.875 39.956 40.800 0.051 0.000 1.059 745 D HN 1.157 nan 8.370 nan 0.000 0.428 746 G N -1.327 107.538 108.800 0.109 0.000 2.205 746 G HA2 -0.346 3.614 3.960 0.000 0.000 0.261 746 G HA3 -0.346 3.614 3.960 0.000 0.000 0.261 746 G C 0.291 175.428 174.900 0.395 0.000 0.980 746 G CA 0.441 45.641 45.100 0.166 0.000 0.632 746 G HN 0.473 nan 8.290 nan 0.000 0.533 747 I N 0.810 121.571 120.570 0.317 0.000 2.377 747 I HA 0.532 4.702 4.170 0.000 0.000 0.293 747 I C 0.169 176.506 176.117 0.366 0.000 0.987 747 I CA -1.502 59.978 61.300 0.299 0.000 1.185 747 I CB 0.925 39.022 38.000 0.163 0.000 1.341 747 I HN 0.038 nan 8.210 nan 0.000 0.455 748 Y N 5.230 125.535 120.300 0.009 0.000 2.511 748 Y HA 0.260 4.810 4.550 0.000 0.000 0.332 748 Y C 0.161 175.972 175.900 -0.147 0.000 1.177 748 Y CA 0.074 58.174 58.100 0.000 0.000 1.422 748 Y CB -0.083 38.349 38.460 -0.046 0.000 1.271 748 Y HN 0.493 nan 8.280 nan 0.000 0.550 749 H N -0.184 118.940 119.070 0.090 0.000 2.821 749 H HA 0.756 5.312 4.556 0.000 0.000 0.373 749 H C -1.214 174.126 175.328 0.021 0.000 1.165 749 H CA -0.883 55.186 56.048 0.035 0.000 1.154 749 H CB 1.784 31.559 29.762 0.022 0.000 1.765 749 H HN 0.315 nan 8.280 nan 0.000 0.549 750 V N 2.471 122.463 119.914 0.130 0.000 2.709 750 V HA 0.206 4.326 4.120 0.000 0.000 0.308 750 V C -0.116 176.054 176.094 0.127 0.000 1.062 750 V CA -0.850 61.528 62.300 0.129 0.000 0.901 750 V CB 2.063 33.991 31.823 0.175 0.000 1.003 750 V HN 0.743 nan 8.190 nan 0.000 0.425 751 M N 4.064 123.734 119.600 0.117 0.000 2.217 751 M HA 0.349 4.829 4.480 0.000 0.000 0.352 751 M C -0.855 175.514 176.300 0.115 0.000 1.376 751 M CA 0.504 55.859 55.300 0.093 0.000 1.107 751 M CB 0.012 32.652 32.600 0.066 0.000 1.723 751 M HN 0.807 nan 8.290 nan 0.000 0.461 752 C N 3.506 122.864 119.300 0.098 0.000 2.779 752 C HA 0.582 5.042 4.460 0.000 0.000 0.314 752 C C -0.279 174.750 174.990 0.066 0.000 1.231 752 C CA -1.170 57.915 59.018 0.111 0.000 1.652 752 C CB 1.890 29.709 27.740 0.131 0.000 2.198 752 C HN 0.674 nan 8.230 nan 0.000 0.483 753 V N 2.763 122.713 119.914 0.060 0.000 2.673 753 V HA 0.060 4.180 4.120 0.000 0.000 0.303 753 V C 0.610 176.723 176.094 0.033 0.000 1.046 753 V CA 0.208 62.528 62.300 0.033 0.000 1.126 753 V CB -0.006 31.834 31.823 0.028 0.000 0.934 753 V HN 0.767 nan 8.190 nan 0.000 0.487 754 K N 2.718 123.130 120.400 0.019 0.000 2.414 754 K HA 0.421 4.741 4.320 0.000 0.000 0.272 754 K C 0.442 177.053 176.600 0.018 0.000 0.993 754 K CA 0.063 56.360 56.287 0.017 0.000 0.964 754 K CB 0.613 33.117 32.500 0.008 0.000 0.925 754 K HN 0.885 nan 8.250 nan 0.000 0.487 755 A N 0.000 122.831 122.820 0.018 0.000 2.254 755 A HA 0.000 4.320 4.320 0.000 0.000 0.244 755 A CA 0.000 52.047 52.037 0.017 0.000 0.836 755 A CB 0.000 19.011 19.000 0.018 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486