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 3d4g_1_H DATA FIRST_RESID 5 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDAALAA AQTNAAAVKV EcLEAELVVT VSRDLFGTGK LVQPGDLTLG DATA SEQUENCE SEGcQPRVSV DTDVVRFNAQ LHEcSSRVQM TKDALVYSTF LLHDPRPVSG DATA SEQUENCE LSILRTNRVE VPIEcRYPR 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.598 176.600 -0.003 0.000 1.382 5 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 5 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 6 G N 2.619 111.421 108.800 0.004 0.000 2.141 6 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 6 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 6 G C -0.255 174.654 174.900 0.015 0.000 0.982 6 G CA 0.877 45.983 45.100 0.010 0.000 0.662 6 G HN 0.695 nan 8.290 nan 0.000 0.527 7 K N -1.358 119.048 120.400 0.009 0.000 2.571 7 K HA 0.807 5.127 4.320 -0.000 0.000 0.289 7 K C -1.475 175.109 176.600 -0.027 0.000 1.028 7 K CA -1.333 54.957 56.287 0.005 0.000 0.895 7 K CB 1.126 33.624 32.500 -0.004 0.000 1.534 7 K HN 0.256 nan 8.250 nan 0.000 0.421 8 L N 1.809 122.992 121.223 -0.066 0.000 2.376 8 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 8 L C -1.112 175.684 176.870 -0.124 0.000 0.987 8 L CA -1.259 53.499 54.840 -0.137 0.000 0.828 8 L CB 2.175 44.058 42.059 -0.293 0.000 1.249 8 L HN 0.397 nan 8.230 nan 0.000 0.409 9 V N 4.840 124.699 119.914 -0.092 0.000 2.398 9 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 9 V C 0.032 176.101 176.094 -0.041 0.000 1.026 9 V CA -0.316 61.958 62.300 -0.044 0.000 0.868 9 V CB 1.970 33.779 31.823 -0.023 0.000 0.982 9 V HN 0.500 nan 8.190 nan 0.000 0.443 10 I N 3.610 124.215 120.570 0.060 0.000 2.465 10 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 10 I C -1.133 175.224 176.117 0.399 0.000 1.014 10 I CA -0.435 60.962 61.300 0.161 0.000 1.093 10 I CB 2.150 40.225 38.000 0.126 0.000 1.267 10 I HN 0.508 nan 8.210 nan 0.000 0.431 11 W N 7.128 128.508 121.300 0.134 0.000 2.478 11 W HA 0.712 5.372 4.660 -0.000 0.000 0.318 11 W C -0.347 176.301 176.519 0.216 0.000 1.062 11 W CA -1.004 56.414 57.345 0.121 0.000 1.210 11 W CB 1.269 30.781 29.460 0.086 0.000 1.325 11 W HN 0.218 nan 8.180 nan 0.000 0.496 12 I N 3.070 123.830 120.570 0.317 0.000 2.827 12 I HA 0.269 4.439 4.170 -0.000 0.000 0.298 12 I C -0.394 175.815 176.117 0.153 0.000 1.235 12 I CA -0.843 60.590 61.300 0.222 0.000 1.021 12 I CB 1.751 39.717 38.000 -0.057 0.000 1.259 12 I HN 0.255 nan 8.210 nan 0.000 0.427 13 N N 3.430 122.205 118.700 0.125 0.000 2.479 13 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 13 N C 1.053 176.551 175.510 -0.019 0.000 1.232 13 N CA 1.148 54.224 53.050 0.045 0.000 0.920 13 N CB 1.551 39.930 38.487 -0.181 0.000 1.105 13 N HN 0.749 nan 8.380 nan 0.000 0.444 14 G N 1.075 109.854 108.800 -0.034 0.000 2.498 14 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 14 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 14 G C 0.717 175.611 174.900 -0.009 0.000 1.119 14 G CA 0.954 46.020 45.100 -0.057 0.000 0.766 14 G HN 0.826 nan 8.290 nan 0.000 0.552 15 D N -0.390 119.901 120.400 -0.182 0.000 2.340 15 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 15 D C 0.889 177.069 176.300 -0.199 0.000 1.039 15 D CA 0.221 54.068 54.000 -0.254 0.000 0.866 15 D CB 0.184 40.641 40.800 -0.573 0.000 0.913 15 D HN 0.011 nan 8.370 nan 0.000 0.523 16 K N 0.216 120.526 120.400 -0.150 0.000 2.132 16 K HA 0.516 4.836 4.320 -0.000 0.000 0.241 16 K C 0.862 177.395 176.600 -0.112 0.000 1.000 16 K CA -0.715 55.507 56.287 -0.108 0.000 0.911 16 K CB 0.788 33.213 32.500 -0.125 0.000 1.093 16 K HN 0.028 nan 8.250 nan 0.000 0.460 17 G N 1.858 110.590 108.800 -0.114 0.000 3.102 17 G HA2 0.084 4.044 3.960 -0.000 0.000 0.264 17 G HA3 0.084 4.044 3.960 -0.000 0.000 0.264 17 G C 0.702 175.496 174.900 -0.178 0.000 0.788 17 G CA -0.117 44.875 45.100 -0.180 0.000 2.029 17 G HN 0.592 nan 8.290 nan 0.000 0.608 18 Y N -0.413 119.820 120.300 -0.113 0.000 2.395 18 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 18 Y C 2.020 177.893 175.900 -0.045 0.000 1.123 18 Y CA 0.748 58.788 58.100 -0.101 0.000 1.227 18 Y CB -0.501 37.893 38.460 -0.110 0.000 1.012 18 Y HN 0.365 nan 8.280 nan 0.000 0.552 19 N N 0.745 119.342 118.700 -0.171 0.000 2.142 19 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 19 N C 2.188 177.693 175.510 -0.008 0.000 1.023 19 N CA 1.113 54.144 53.050 -0.033 0.000 0.852 19 N CB -0.464 37.950 38.487 -0.121 0.000 0.998 19 N HN 0.543 nan 8.380 nan 0.000 0.424 20 G N 1.191 109.960 108.800 -0.051 0.000 2.418 20 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 20 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 20 G C 1.433 176.348 174.900 0.025 0.000 1.158 20 G CA 0.374 45.468 45.100 -0.011 0.000 0.771 20 G HN 0.143 nan 8.290 nan 0.000 0.545 21 L N 1.423 122.657 121.223 0.018 0.000 2.079 21 L HA 0.108 4.448 4.340 -0.000 0.000 0.210 21 L C 3.029 179.979 176.870 0.133 0.000 1.081 21 L CA 2.016 56.893 54.840 0.061 0.000 0.752 21 L CB -0.629 41.416 42.059 -0.023 0.000 0.896 21 L HN 0.241 nan 8.230 nan 0.000 0.433 22 A N -1.064 121.821 122.820 0.109 0.000 1.972 22 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 22 A C 2.156 179.811 177.584 0.119 0.000 1.169 22 A CA 1.661 53.767 52.037 0.115 0.000 0.635 22 A CB -0.520 18.551 19.000 0.118 0.000 0.810 22 A HN 0.599 nan 8.150 nan 0.000 0.446 23 E N -0.360 119.902 120.200 0.103 0.000 2.072 23 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 23 E C 1.906 178.592 176.600 0.144 0.000 0.985 23 E CA 1.242 57.703 56.400 0.102 0.000 0.801 23 E CB -0.219 29.523 29.700 0.070 0.000 0.750 23 E HN 0.411 nan 8.360 nan 0.000 0.452 24 V N 0.699 120.713 119.914 0.165 0.000 2.490 24 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 24 V C 2.281 178.610 176.094 0.391 0.000 1.061 24 V CA 1.880 64.318 62.300 0.230 0.000 1.064 24 V CB -0.824 31.087 31.823 0.148 0.000 0.670 24 V HN 0.402 nan 8.190 nan 0.000 0.461 25 G N -0.506 108.518 108.800 0.373 0.000 2.421 25 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 25 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 25 G C 1.661 176.700 174.900 0.231 0.000 1.143 25 G CA 0.292 45.571 45.100 0.299 0.000 0.784 25 G HN 0.373 nan 8.290 nan 0.000 0.541 26 K N 0.536 121.044 120.400 0.181 0.000 2.057 26 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 26 K C 2.341 179.034 176.600 0.154 0.000 1.049 26 K CA 1.199 57.569 56.287 0.138 0.000 0.931 26 K CB -0.197 32.367 32.500 0.108 0.000 0.714 26 K HN 0.355 nan 8.250 nan 0.000 0.440 27 K N 0.286 120.809 120.400 0.204 0.000 2.057 27 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 27 K C 2.084 178.839 176.600 0.259 0.000 1.050 27 K CA 0.948 57.375 56.287 0.234 0.000 0.935 27 K CB -0.242 32.429 32.500 0.285 0.000 0.715 27 K HN -0.043 nan 8.250 nan 0.000 0.439 28 F N 2.270 122.256 119.950 0.060 0.000 2.126 28 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 28 F C 2.229 177.960 175.800 -0.116 0.000 1.096 28 F CA 2.059 59.905 58.000 -0.257 0.000 1.255 28 F CB -0.184 38.697 39.000 -0.199 0.000 0.997 28 F HN 0.208 nan 8.300 nan 0.000 0.479 29 E N 0.181 120.412 120.200 0.053 0.000 2.106 29 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 29 E C 2.339 178.907 176.600 -0.053 0.000 0.984 29 E CA 1.198 57.585 56.400 -0.021 0.000 0.806 29 E CB -0.214 29.517 29.700 0.051 0.000 0.750 29 E HN 0.439 nan 8.360 nan 0.000 0.458 30 K N 0.265 120.664 120.400 -0.000 0.000 2.026 30 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 30 K C 1.440 178.029 176.600 -0.019 0.000 1.048 30 K CA 2.017 58.310 56.287 0.009 0.000 0.929 30 K CB 0.045 32.575 32.500 0.049 0.000 0.713 30 K HN 0.069 nan 8.250 nan 0.000 0.439 31 D N -0.749 119.634 120.400 -0.029 0.000 2.162 31 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 31 D C 1.544 177.768 176.300 -0.125 0.000 0.967 31 D CA 1.311 55.295 54.000 -0.028 0.000 0.840 31 D CB -0.016 40.843 40.800 0.098 0.000 0.972 31 D HN 0.241 nan 8.370 nan 0.000 0.482 32 T N -1.784 112.595 114.554 -0.290 0.000 3.023 32 T HA 0.322 4.672 4.350 -0.000 0.000 0.249 32 T C 1.528 176.099 174.700 -0.216 0.000 1.050 32 T CA 0.681 62.574 62.100 -0.345 0.000 1.088 32 T CB 0.939 69.350 68.868 -0.763 0.000 0.946 32 T HN 0.252 nan 8.240 nan 0.000 0.480 33 G N 1.385 110.080 108.800 -0.175 0.000 2.175 33 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 33 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 33 G C -0.062 174.798 174.900 -0.067 0.000 0.982 33 G CA -0.359 44.687 45.100 -0.091 0.000 0.641 33 G HN 0.455 nan 8.290 nan 0.000 0.527 34 I N 1.538 122.051 120.570 -0.095 0.000 2.325 34 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 34 I C 0.690 176.850 176.117 0.071 0.000 1.019 34 I CA -0.795 60.509 61.300 0.007 0.000 1.302 34 I CB 1.505 39.557 38.000 0.085 0.000 1.401 34 I HN 0.180 nan 8.210 nan 0.000 0.485 35 K N 5.254 125.681 120.400 0.046 0.000 2.326 35 K HA 0.467 4.787 4.320 -0.000 0.000 0.275 35 K C -1.142 175.474 176.600 0.027 0.000 1.018 35 K CA -0.282 56.030 56.287 0.041 0.000 0.962 35 K CB 0.712 33.224 32.500 0.020 0.000 0.953 35 K HN 0.403 nan 8.250 nan 0.000 0.475 36 V N 3.763 123.681 119.914 0.008 0.000 2.407 36 V HA 0.202 4.322 4.120 -0.000 0.000 0.291 36 V C -0.674 175.389 176.094 -0.051 0.000 1.018 36 V CA -0.780 61.467 62.300 -0.088 0.000 0.842 36 V CB 1.719 33.424 31.823 -0.197 0.000 0.996 36 V HN 0.834 nan 8.190 nan 0.000 0.426 37 T N 4.722 119.248 114.554 -0.046 0.000 2.770 37 T HA 0.447 4.797 4.350 -0.000 0.000 0.297 37 T C -0.144 174.569 174.700 0.022 0.000 0.997 37 T CA -0.281 61.819 62.100 0.001 0.000 0.949 37 T CB 1.257 70.135 68.868 0.016 0.000 0.941 37 T HN 0.322 nan 8.240 nan 0.000 0.457 38 V N 4.866 124.805 119.914 0.042 0.000 2.406 38 V HA 0.367 4.487 4.120 -0.000 0.000 0.272 38 V C 0.268 176.407 176.094 0.075 0.000 1.043 38 V CA -0.499 61.847 62.300 0.076 0.000 0.915 38 V CB 0.979 32.856 31.823 0.090 0.000 0.988 38 V HN 0.826 nan 8.190 nan 0.000 0.466 39 E N 3.545 123.800 120.200 0.092 0.000 2.312 39 E HA 0.500 4.850 4.350 -0.000 0.000 0.267 39 E C -0.890 175.623 176.600 -0.145 0.000 0.894 39 E CA -0.729 55.628 56.400 -0.072 0.000 0.773 39 E CB 2.044 31.703 29.700 -0.068 0.000 1.241 39 E HN 0.885 nan 8.360 nan 0.000 0.432 40 H N 0.013 118.860 119.070 -0.371 0.000 2.336 40 H HA 0.321 4.877 4.556 -0.000 0.000 0.230 40 H C -2.648 172.443 175.328 -0.396 0.000 1.426 40 H CA -2.213 53.603 56.048 -0.387 0.000 1.359 40 H CB -0.356 29.087 29.762 -0.532 0.000 1.555 40 H HN 0.232 nan 8.280 nan 0.000 0.512 41 P HA 0.032 nan 4.420 nan 0.000 0.272 41 P C 0.165 177.257 177.300 -0.346 0.000 1.223 41 P CA -0.091 62.670 63.100 -0.565 0.000 0.784 41 P CB 1.383 32.544 31.700 -0.900 0.000 0.923 42 D N 1.809 122.063 120.400 -0.244 0.000 2.372 42 D HA 0.008 4.648 4.640 -0.000 0.000 0.243 42 D C 0.368 176.576 176.300 -0.153 0.000 1.121 42 D CA 0.230 54.146 54.000 -0.141 0.000 0.898 42 D CB 0.238 40.981 40.800 -0.094 0.000 1.202 42 D HN 0.223 nan 8.370 nan 0.000 0.428 43 K N 2.080 122.416 120.400 -0.106 0.000 3.077 43 K HA -0.187 4.133 4.320 -0.000 0.000 0.264 43 K C 1.112 177.604 176.600 -0.180 0.000 1.008 43 K CA 0.708 56.916 56.287 -0.131 0.000 0.740 43 K CB -2.054 30.383 32.500 -0.104 0.000 1.273 43 K HN 0.519 nan 8.250 nan 0.000 0.477 44 L N -0.570 120.533 121.223 -0.199 0.000 2.201 44 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 44 L C 2.264 179.065 176.870 -0.114 0.000 1.105 44 L CA 1.891 56.640 54.840 -0.152 0.000 0.775 44 L CB -0.363 41.639 42.059 -0.097 0.000 0.913 44 L HN 0.265 nan 8.230 nan 0.000 0.440 45 E N 1.029 120.927 120.200 -0.502 0.000 2.208 45 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 45 E C 1.539 178.008 176.600 -0.218 0.000 0.988 45 E CA 1.625 57.642 56.400 -0.638 0.000 0.828 45 E CB -0.386 28.366 29.700 -1.580 0.000 0.763 45 E HN 0.816 nan 8.360 nan 0.000 0.478 46 E N 0.807 120.896 120.200 -0.183 0.000 2.140 46 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 46 E C 2.073 178.661 176.600 -0.021 0.000 0.973 46 E CA 0.368 56.720 56.400 -0.079 0.000 0.829 46 E CB 0.118 29.761 29.700 -0.095 0.000 0.781 46 E HN 0.214 nan 8.360 nan 0.000 0.466 47 K N 0.512 120.918 120.400 0.011 0.000 2.103 47 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 47 K C 1.940 178.639 176.600 0.166 0.000 1.052 47 K CA 0.791 57.131 56.287 0.088 0.000 0.945 47 K CB -0.175 32.376 32.500 0.085 0.000 0.722 47 K HN 0.020 nan 8.250 nan 0.000 0.443 48 F N 3.459 123.460 119.950 0.085 0.000 2.043 48 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 48 F C -1.139 174.488 175.800 -0.288 0.000 1.121 48 F CA 1.353 59.269 58.000 -0.141 0.000 1.199 48 F CB -1.043 37.729 39.000 -0.381 0.000 0.968 48 F HN -0.018 nan 8.300 nan 0.000 0.478 49 P HA -0.196 nan 4.420 nan 0.000 0.220 49 P C 1.184 178.295 177.300 -0.315 0.000 1.148 49 P CA 1.820 64.668 63.100 -0.421 0.000 0.803 49 P CB -0.262 31.388 31.700 -0.083 0.000 0.782 50 Q N -0.058 119.622 119.800 -0.201 0.000 2.046 50 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 50 Q C 2.324 178.217 176.000 -0.178 0.000 0.975 50 Q CA 1.958 57.676 55.803 -0.143 0.000 0.836 50 Q CB -0.654 28.041 28.738 -0.071 0.000 0.896 50 Q HN 0.244 nan 8.270 nan 0.000 0.428 51 V N -2.432 117.356 119.914 -0.210 0.000 2.535 51 V HA 0.067 4.187 4.120 -0.000 0.000 0.246 51 V C 2.156 178.047 176.094 -0.339 0.000 1.045 51 V CA 1.265 63.438 62.300 -0.211 0.000 1.058 51 V CB -1.006 30.745 31.823 -0.120 0.000 0.689 51 V HN 0.240 nan 8.190 nan 0.000 0.461 52 A N 0.972 123.438 122.820 -0.591 0.000 1.933 52 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 52 A C 2.438 179.785 177.584 -0.396 0.000 1.175 52 A CA 2.179 53.820 52.037 -0.661 0.000 0.628 52 A CB -0.988 17.235 19.000 -1.294 0.000 0.814 52 A HN 0.949 nan 8.150 nan 0.000 0.444 53 A N -0.302 122.319 122.820 -0.333 0.000 2.015 53 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 53 A C 2.247 179.739 177.584 -0.154 0.000 1.163 53 A CA 2.137 54.050 52.037 -0.207 0.000 0.646 53 A CB -1.131 17.769 19.000 -0.168 0.000 0.806 53 A HN 0.796 nan 8.150 nan 0.000 0.448 54 T N -4.592 109.868 114.554 -0.156 0.000 3.148 54 T HA 0.386 4.736 4.350 -0.000 0.000 0.253 54 T C 1.345 175.977 174.700 -0.114 0.000 1.134 54 T CA 1.103 63.134 62.100 -0.116 0.000 1.051 54 T CB -0.009 68.799 68.868 -0.101 0.000 0.959 54 T HN 1.650 nan 8.240 nan 0.000 0.525 55 G N 0.717 109.432 108.800 -0.141 0.000 2.175 55 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.244 55 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.244 55 G C -0.154 174.665 174.900 -0.134 0.000 0.982 55 G CA 0.156 45.182 45.100 -0.124 0.000 0.641 55 G HN 0.582 nan 8.290 nan 0.000 0.527 56 D N 0.062 120.365 120.400 -0.162 0.000 2.509 56 D HA 0.628 5.268 4.640 -0.000 0.000 0.275 56 D C 1.174 177.333 176.300 -0.235 0.000 1.189 56 D CA 0.878 54.784 54.000 -0.157 0.000 1.098 56 D CB 0.130 40.860 40.800 -0.117 0.000 1.177 56 D HN 1.423 nan 8.370 nan 0.000 0.599 57 G N 0.339 108.992 108.800 -0.246 0.000 2.728 57 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.294 57 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.294 57 G C -2.736 171.904 174.900 -0.432 0.000 1.342 57 G CA -0.664 44.180 45.100 -0.428 0.000 0.866 57 G HN 0.420 nan 8.290 nan 0.000 0.534 58 P HA 0.336 nan 4.420 nan 0.000 0.276 58 P C 0.094 177.241 177.300 -0.253 0.000 1.252 58 P CA -0.220 62.557 63.100 -0.539 0.000 0.802 58 P CB 0.892 32.010 31.700 -0.969 0.000 1.035 59 D N -0.061 120.240 120.400 -0.166 0.000 2.149 59 D HA 0.033 4.673 4.640 -0.000 0.000 0.201 59 D C 0.727 176.989 176.300 -0.064 0.000 0.972 59 D CA 1.441 55.386 54.000 -0.092 0.000 0.835 59 D CB 0.274 41.023 40.800 -0.085 0.000 0.966 59 D HN 0.354 nan 8.370 nan 0.000 0.476 60 I N 0.843 121.370 120.570 -0.070 0.000 2.545 60 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 60 I C -0.570 175.531 176.117 -0.026 0.000 1.040 60 I CA -0.820 60.464 61.300 -0.025 0.000 1.068 60 I CB 3.224 41.261 38.000 0.061 0.000 1.251 60 I HN -0.203 nan 8.210 nan 0.000 0.424 61 I N 5.041 125.548 120.570 -0.105 0.000 2.436 61 I HA 0.476 4.646 4.170 -0.000 0.000 0.289 61 I C -1.508 174.697 176.117 0.147 0.000 1.010 61 I CA -0.454 60.808 61.300 -0.063 0.000 1.098 61 I CB 1.359 38.933 38.000 -0.711 0.000 1.266 61 I HN 0.337 nan 8.210 nan 0.000 0.434 62 F N 7.898 128.004 119.950 0.260 0.000 2.420 62 F HA 0.527 5.054 4.527 -0.000 0.000 0.342 62 F C -0.315 175.781 175.800 0.494 0.000 1.113 62 F CA -0.070 58.135 58.000 0.342 0.000 1.059 62 F CB 1.194 40.327 39.000 0.221 0.000 1.128 62 F HN 0.449 nan 8.300 nan 0.000 0.475 63 W N 1.758 123.338 121.300 0.468 0.000 2.989 63 W HA 0.626 5.286 4.660 -0.000 0.000 0.344 63 W C -1.247 175.482 176.519 0.350 0.000 1.233 63 W CA -1.322 56.220 57.345 0.328 0.000 1.187 63 W CB 1.551 31.131 29.460 0.200 0.000 1.443 63 W HN 0.620 nan 8.180 nan 0.000 0.573 64 A N 2.214 124.937 122.820 -0.163 0.000 2.520 64 A HA -0.006 4.314 4.320 -0.000 0.000 0.235 64 A C 1.371 179.169 177.584 0.357 0.000 1.065 64 A CA 0.915 52.971 52.037 0.033 0.000 0.764 64 A CB -0.161 18.723 19.000 -0.194 0.000 1.002 64 A HN 0.768 nan 8.150 nan 0.000 0.502 65 H N 1.372 120.548 119.070 0.177 0.000 2.518 65 H HA -0.146 4.410 4.556 -0.000 0.000 0.289 65 H C 0.941 176.436 175.328 0.279 0.000 1.051 65 H CA 1.429 57.574 56.048 0.162 0.000 1.280 65 H CB -0.348 29.410 29.762 -0.007 0.000 1.380 65 H HN 0.821 nan 8.280 nan 0.000 0.566 66 D N 1.152 121.372 120.400 -0.300 0.000 2.264 66 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 66 D C 1.793 178.041 176.300 -0.087 0.000 0.966 66 D CA 0.292 54.138 54.000 -0.257 0.000 0.864 66 D CB -0.235 40.468 40.800 -0.162 0.000 0.933 66 D HN 0.256 nan 8.370 nan 0.000 0.499 67 R N -0.607 119.866 120.500 -0.045 0.000 2.240 67 R HA 0.084 4.424 4.340 -0.000 0.000 0.203 67 R C 1.848 177.603 176.300 -0.908 0.000 1.011 67 R CA 0.054 55.855 56.100 -0.498 0.000 1.007 67 R CB -0.468 29.428 30.300 -0.672 0.000 0.911 67 R HN 0.258 nan 8.270 nan 0.000 0.468 68 F N 0.115 119.805 119.950 -0.433 0.000 2.325 68 F HA 0.045 4.572 4.527 0.000 0.000 0.299 68 F C 2.458 178.057 175.800 -0.335 0.000 1.090 68 F CA 1.123 58.948 58.000 -0.292 0.000 1.392 68 F CB -0.666 38.318 39.000 -0.026 0.000 1.053 68 F HN 0.098 nan 8.300 nan 0.000 0.521 69 G N -0.053 108.577 108.800 -0.284 0.000 2.418 69 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 69 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 69 G C 2.074 176.539 174.900 -0.726 0.000 1.158 69 G CA 0.866 45.492 45.100 -0.790 0.000 0.771 69 G HN 0.482 nan 8.290 nan 0.000 0.545 70 G N 0.097 108.623 108.800 -0.457 0.000 2.446 70 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 70 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 70 G C 1.631 176.457 174.900 -0.123 0.000 1.168 70 G CA 1.140 46.066 45.100 -0.290 0.000 0.771 70 G HN 0.380 nan 8.290 nan 0.000 0.551 71 Y N 1.374 121.587 120.300 -0.145 0.000 2.145 71 Y HA 0.024 4.574 4.550 -0.000 0.000 0.286 71 Y C 3.159 179.036 175.900 -0.039 0.000 1.145 71 Y CA 0.166 58.233 58.100 -0.055 0.000 1.148 71 Y CB -1.292 37.156 38.460 -0.020 0.000 0.981 71 Y HN 0.275 nan 8.280 nan 0.000 0.507 72 A N 0.063 122.923 122.820 0.068 0.000 1.865 72 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 72 A C 2.309 179.922 177.584 0.048 0.000 1.191 72 A CA 1.992 54.059 52.037 0.049 0.000 0.623 72 A CB -1.060 17.936 19.000 -0.006 0.000 0.826 72 A HN 0.542 nan 8.150 nan 0.000 0.444 73 Q N -0.329 119.441 119.800 -0.049 0.000 2.181 73 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 73 Q C 1.693 177.723 176.000 0.050 0.000 0.980 73 Q CA 1.834 57.676 55.803 0.064 0.000 0.862 73 Q CB -0.182 28.576 28.738 0.034 0.000 0.905 73 Q HN 0.535 nan 8.270 nan 0.000 0.429 74 S N -0.891 114.828 115.700 0.032 0.000 2.603 74 S HA 0.151 4.621 4.470 -0.000 0.000 0.220 74 S C 0.821 175.430 174.600 0.015 0.000 0.967 74 S CA 0.575 58.788 58.200 0.021 0.000 0.920 74 S CB 0.308 63.520 63.200 0.019 0.000 0.773 74 S HN 0.733 nan 8.310 nan 0.000 0.529 75 G N 1.267 110.090 108.800 0.039 0.000 2.160 75 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 75 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 75 G C 0.439 175.348 174.900 0.016 0.000 1.022 75 G CA 0.295 45.413 45.100 0.031 0.000 0.741 75 G HN 0.522 nan 8.290 nan 0.000 0.508 76 L N -1.214 120.032 121.223 0.039 0.000 2.554 76 L HA 0.430 4.770 4.340 -0.000 0.000 0.225 76 L C 1.151 178.090 176.870 0.115 0.000 1.104 76 L CA 0.250 55.095 54.840 0.007 0.000 0.866 76 L CB 0.115 42.140 42.059 -0.057 0.000 1.047 76 L HN 0.199 nan 8.230 nan 0.000 0.468 77 L N 0.094 121.403 121.223 0.143 0.000 2.346 77 L HA 0.640 4.980 4.340 -0.000 0.000 0.274 77 L C 0.067 177.005 176.870 0.113 0.000 1.007 77 L CA -0.608 54.332 54.840 0.167 0.000 0.818 77 L CB 1.995 44.187 42.059 0.222 0.000 1.284 77 L HN -0.106 nan 8.230 nan 0.000 0.424 78 A N 1.961 124.840 122.820 0.098 0.000 2.354 78 A HA 0.268 4.588 4.320 -0.000 0.000 0.269 78 A C -0.060 177.564 177.584 0.068 0.000 1.109 78 A CA -0.343 51.737 52.037 0.071 0.000 0.800 78 A CB 0.504 19.541 19.000 0.062 0.000 1.045 78 A HN 0.784 nan 8.150 nan 0.000 0.489 79 E N 1.626 121.856 120.200 0.051 0.000 2.376 79 E HA 0.281 4.631 4.350 -0.000 0.000 0.266 79 E C -0.230 176.375 176.600 0.009 0.000 1.009 79 E CA -0.214 56.206 56.400 0.032 0.000 0.902 79 E CB 0.260 29.975 29.700 0.025 0.000 0.972 79 E HN 0.570 nan 8.360 nan 0.000 0.439 80 I N 1.670 122.218 120.570 -0.037 0.000 2.440 80 I HA 0.353 4.523 4.170 -0.000 0.000 0.294 80 I C -0.030 176.031 176.117 -0.094 0.000 0.995 80 I CA -0.528 60.715 61.300 -0.095 0.000 1.306 80 I CB 1.680 39.476 38.000 -0.340 0.000 1.407 80 I HN 0.377 nan 8.210 nan 0.000 0.501 81 T N 2.352 116.876 114.554 -0.049 0.000 3.504 81 T HA 0.497 4.847 4.350 -0.000 0.000 0.286 81 T C -2.508 172.181 174.700 -0.018 0.000 1.530 81 T CA -1.370 60.705 62.100 -0.041 0.000 1.652 81 T CB 0.003 68.863 68.868 -0.013 0.000 0.895 81 T HN 0.525 nan 8.240 nan 0.000 0.674 82 P HA 0.359 nan 4.420 nan 0.000 0.278 82 P C -0.161 177.149 177.300 0.016 0.000 1.238 82 P CA -0.255 62.874 63.100 0.047 0.000 0.794 82 P CB 0.723 32.550 31.700 0.212 0.000 0.955 83 D N 0.798 121.238 120.400 0.068 0.000 2.384 83 D HA 0.035 4.675 4.640 -0.000 0.000 0.244 83 D C 1.133 177.461 176.300 0.047 0.000 1.251 83 D CA -0.341 53.687 54.000 0.046 0.000 0.961 83 D CB 0.515 41.351 40.800 0.061 0.000 1.116 83 D HN 0.083 nan 8.370 nan 0.000 0.484 84 K N 0.273 120.679 120.400 0.011 0.000 2.103 84 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 84 K C 1.926 178.547 176.600 0.034 0.000 1.048 84 K CA 1.770 58.051 56.287 -0.009 0.000 0.930 84 K CB -0.833 31.659 32.500 -0.015 0.000 0.716 84 K HN 0.499 nan 8.250 nan 0.000 0.444 85 A N -0.189 122.673 122.820 0.070 0.000 1.908 85 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 85 A C 2.208 179.871 177.584 0.132 0.000 1.181 85 A CA 1.681 53.770 52.037 0.086 0.000 0.627 85 A CB -0.907 18.148 19.000 0.092 0.000 0.818 85 A HN 0.472 nan 8.150 nan 0.000 0.445 86 F N 0.413 120.403 119.950 0.068 0.000 2.206 86 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 86 F C 2.481 178.415 175.800 0.224 0.000 1.090 86 F CA 1.904 59.987 58.000 0.139 0.000 1.323 86 F CB -0.263 38.842 39.000 0.175 0.000 1.028 86 F HN 0.293 nan 8.300 nan 0.000 0.492 87 Q N -0.161 119.749 119.800 0.183 0.000 2.167 87 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 87 Q C 1.613 177.698 176.000 0.142 0.000 0.970 87 Q CA 1.478 57.325 55.803 0.074 0.000 0.855 87 Q CB -0.217 28.305 28.738 -0.360 0.000 0.911 87 Q HN 0.380 nan 8.270 nan 0.000 0.438 88 D N 0.682 121.104 120.400 0.037 0.000 2.178 88 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 88 D C 1.399 177.675 176.300 -0.041 0.000 0.980 88 D CA 1.079 55.086 54.000 0.012 0.000 0.842 88 D CB 0.029 40.827 40.800 -0.003 0.000 0.948 88 D HN 0.186 nan 8.370 nan 0.000 0.472 89 K N -0.288 120.046 120.400 -0.110 0.000 2.211 89 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 89 K C 0.718 177.168 176.600 -0.251 0.000 1.050 89 K CA 0.517 56.679 56.287 -0.208 0.000 0.945 89 K CB 0.229 32.532 32.500 -0.328 0.000 0.732 89 K HN 0.163 nan 8.250 nan 0.000 0.451 90 L N 0.134 121.265 121.223 -0.154 0.000 2.334 90 L HA 0.324 4.664 4.340 -0.000 0.000 0.270 90 L C -0.220 176.598 176.870 -0.087 0.000 1.018 90 L CA -1.383 53.335 54.840 -0.203 0.000 0.811 90 L CB 0.500 42.344 42.059 -0.357 0.000 1.271 90 L HN -0.114 nan 8.230 nan 0.000 0.443 91 Y N 1.278 121.568 120.300 -0.017 0.000 2.511 91 Y HA 0.059 4.609 4.550 -0.000 0.000 0.332 91 Y C -1.401 174.595 175.900 0.160 0.000 1.177 91 Y CA -1.180 56.965 58.100 0.074 0.000 1.422 91 Y CB 0.097 38.598 38.460 0.068 0.000 1.271 91 Y HN 0.423 nan 8.280 nan 0.000 0.550 92 P HA -0.245 nan 4.420 nan 0.000 0.216 92 P C 1.637 179.125 177.300 0.313 0.000 1.150 92 P CA 1.444 64.765 63.100 0.368 0.000 0.843 92 P CB -0.061 31.796 31.700 0.262 0.000 0.787 93 F N 0.941 120.978 119.950 0.143 0.000 2.161 93 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 93 F C 2.100 177.911 175.800 0.018 0.000 1.089 93 F CA 2.181 60.218 58.000 0.062 0.000 1.282 93 F CB -0.961 38.045 39.000 0.010 0.000 1.010 93 F HN -0.029 nan 8.300 nan 0.000 0.485 94 T N -2.970 111.632 114.554 0.080 0.000 2.857 94 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 94 T C 1.828 176.393 174.700 -0.226 0.000 1.048 94 T CA 1.261 63.274 62.100 -0.145 0.000 1.139 94 T CB -1.264 67.526 68.868 -0.131 0.000 0.874 94 T HN 0.546 nan 8.240 nan 0.000 0.455 95 W N 2.020 123.300 121.300 -0.034 0.000 2.363 95 W HA 0.023 4.683 4.660 -0.000 0.000 0.296 95 W C 2.176 178.639 176.519 -0.093 0.000 1.212 95 W CA 0.351 57.666 57.345 -0.049 0.000 1.260 95 W CB -0.185 29.269 29.460 -0.010 0.000 1.131 95 W HN 0.221 nan 8.180 nan 0.000 0.530 96 D N 0.200 120.657 120.400 0.095 0.000 2.123 96 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 96 D C 2.205 178.437 176.300 -0.113 0.000 0.992 96 D CA 1.928 55.911 54.000 -0.029 0.000 0.833 96 D CB -0.939 39.791 40.800 -0.117 0.000 0.954 96 D HN 0.123 nan 8.370 nan 0.000 0.455 97 A N 0.506 123.148 122.820 -0.297 0.000 1.972 97 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 97 A C 1.990 179.508 177.584 -0.110 0.000 1.169 97 A CA 1.596 53.399 52.037 -0.391 0.000 0.635 97 A CB -0.393 18.146 19.000 -0.768 0.000 0.810 97 A HN 0.250 nan 8.150 nan 0.000 0.446 98 V N -2.845 117.036 119.914 -0.055 0.000 3.170 98 V HA 0.427 4.547 4.120 -0.000 0.000 0.354 98 V C 0.322 176.476 176.094 0.099 0.000 1.350 98 V CA -0.312 61.991 62.300 0.005 0.000 1.244 98 V CB -1.006 30.778 31.823 -0.065 0.000 1.222 98 V HN 0.394 nan 8.190 nan 0.000 0.478 99 R N 0.762 121.336 120.500 0.122 0.000 2.387 99 R HA 0.571 4.911 4.340 -0.000 0.000 0.314 99 R C -1.899 174.530 176.300 0.215 0.000 0.958 99 R CA -0.759 55.425 56.100 0.140 0.000 0.846 99 R CB 1.624 31.981 30.300 0.096 0.000 1.147 99 R HN 0.486 nan 8.270 nan 0.000 0.447 100 Y N 4.715 125.054 120.300 0.066 0.000 2.354 100 Y HA 0.215 4.765 4.550 -0.000 0.000 0.330 100 Y C -0.762 175.170 175.900 0.053 0.000 1.011 100 Y CA -0.944 57.198 58.100 0.070 0.000 1.099 100 Y CB 1.346 39.855 38.460 0.082 0.000 1.179 100 Y HN 0.815 nan 8.280 nan 0.000 0.442 101 N N 4.228 122.622 118.700 -0.510 0.000 2.705 101 N HA -0.196 4.544 4.740 -0.000 0.000 0.255 101 N C 0.891 176.329 175.510 -0.120 0.000 1.008 101 N CA 1.811 54.652 53.050 -0.348 0.000 0.742 101 N CB -1.115 37.130 38.487 -0.404 0.000 0.906 101 N HN 1.401 nan 8.380 nan 0.000 0.541 102 G N -1.591 107.168 108.800 -0.068 0.000 2.155 102 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 102 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 102 G C 0.030 174.926 174.900 -0.007 0.000 0.983 102 G CA 0.990 46.073 45.100 -0.029 0.000 0.676 102 G HN 0.580 nan 8.290 nan 0.000 0.528 103 K N -0.606 119.807 120.400 0.022 0.000 2.318 103 K HA 0.669 4.989 4.320 -0.000 0.000 0.249 103 K C 0.081 176.717 176.600 0.060 0.000 0.942 103 K CA -0.991 55.318 56.287 0.037 0.000 0.808 103 K CB 1.855 34.392 32.500 0.063 0.000 1.189 103 K HN 0.081 nan 8.250 nan 0.000 0.428 104 L N 4.504 125.742 121.223 0.025 0.000 2.313 104 L HA 0.301 4.641 4.340 -0.000 0.000 0.282 104 L C 1.076 177.968 176.870 0.037 0.000 1.092 104 L CA -0.024 54.838 54.840 0.035 0.000 0.831 104 L CB 0.364 42.406 42.059 -0.029 0.000 1.159 104 L HN 0.711 nan 8.230 nan 0.000 0.442 105 I N 0.065 120.675 120.570 0.067 0.000 4.154 105 I HA 0.618 4.788 4.170 -0.000 0.000 0.334 105 I C 0.303 176.444 176.117 0.039 0.000 1.371 105 I CA -0.172 61.181 61.300 0.089 0.000 1.110 105 I CB 0.611 38.716 38.000 0.175 0.000 1.085 105 I HN 0.508 nan 8.210 nan 0.000 0.398 106 A N 0.279 123.056 122.820 -0.072 0.000 2.597 106 A HA 0.638 4.958 4.320 -0.000 0.000 0.292 106 A C -2.024 175.449 177.584 -0.184 0.000 1.057 106 A CA -0.418 51.508 52.037 -0.186 0.000 0.674 106 A CB 0.585 19.271 19.000 -0.523 0.000 1.278 106 A HN 0.176 nan 8.150 nan 0.000 0.416 107 Y N 1.756 122.002 120.300 -0.091 0.000 2.365 107 Y HA 0.427 4.977 4.550 -0.000 0.000 0.340 107 Y C -1.890 173.861 175.900 -0.249 0.000 1.016 107 Y CA -1.613 56.438 58.100 -0.081 0.000 1.196 107 Y CB 0.977 39.431 38.460 -0.011 0.000 1.167 107 Y HN 0.412 nan 8.280 nan 0.000 0.509 108 P HA 0.107 nan 4.420 nan 0.000 0.280 108 P C -0.052 177.163 177.300 -0.141 0.000 1.244 108 P CA 0.054 62.994 63.100 -0.267 0.000 0.784 108 P CB 1.665 33.097 31.700 -0.447 0.000 0.913 109 I N 1.056 121.602 120.570 -0.039 0.000 3.345 109 I HA 0.352 4.522 4.170 -0.000 0.000 0.258 109 I C 1.046 177.203 176.117 0.068 0.000 1.134 109 I CA 0.249 61.580 61.300 0.053 0.000 1.457 109 I CB -0.973 37.123 38.000 0.161 0.000 1.425 109 I HN 0.344 nan 8.210 nan 0.000 0.461 110 A N 0.580 123.446 122.820 0.076 0.000 2.604 110 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 110 A C -1.187 176.460 177.584 0.105 0.000 1.067 110 A CA -0.386 51.710 52.037 0.099 0.000 0.683 110 A CB 1.491 20.560 19.000 0.114 0.000 1.281 110 A HN -0.146 nan 8.150 nan 0.000 0.407 111 V N 1.856 121.838 119.914 0.113 0.000 2.432 111 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 111 V C 0.022 176.199 176.094 0.138 0.000 1.043 111 V CA -0.091 62.292 62.300 0.139 0.000 0.925 111 V CB 0.881 32.775 31.823 0.117 0.000 0.985 111 V HN 0.877 nan 8.190 nan 0.000 0.466 112 E N 3.117 123.431 120.200 0.189 0.000 2.212 112 E HA 0.840 5.190 4.350 -0.000 0.000 0.268 112 E C -0.546 176.196 176.600 0.237 0.000 0.902 112 E CA -0.728 55.804 56.400 0.220 0.000 0.779 112 E CB 2.370 32.272 29.700 0.337 0.000 1.172 112 E HN 0.827 nan 8.360 nan 0.000 0.409 113 A N 2.597 125.516 122.820 0.164 0.000 2.566 113 A HA 0.444 4.764 4.320 -0.000 0.000 0.297 113 A C -1.143 176.463 177.584 0.037 0.000 1.059 113 A CA -0.748 51.372 52.037 0.138 0.000 0.691 113 A CB 0.784 19.847 19.000 0.106 0.000 1.282 113 A HN 0.540 nan 8.150 nan 0.000 0.401 114 L N 1.413 122.633 121.223 -0.006 0.000 2.439 114 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 114 L C 0.638 177.491 176.870 -0.029 0.000 1.179 114 L CA 0.168 54.968 54.840 -0.068 0.000 0.828 114 L CB 1.217 43.191 42.059 -0.142 0.000 1.106 114 L HN 0.722 nan 8.230 nan 0.000 0.467 115 S N 1.445 117.136 115.700 -0.016 0.000 2.632 115 S HA 0.511 4.981 4.470 -0.000 0.000 0.289 115 S C -1.020 173.569 174.600 -0.019 0.000 1.115 115 S CA -0.657 57.550 58.200 0.012 0.000 0.889 115 S CB 1.977 65.228 63.200 0.086 0.000 1.116 115 S HN 0.367 nan 8.310 nan 0.000 0.486 116 L N 2.585 123.788 121.223 -0.033 0.000 2.361 116 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 116 L C -1.151 175.737 176.870 0.031 0.000 1.113 116 L CA 0.511 55.316 54.840 -0.058 0.000 0.849 116 L CB -0.350 41.648 42.059 -0.100 0.000 1.155 116 L HN 0.501 nan 8.230 nan 0.000 0.452 117 I N 6.497 127.043 120.570 -0.041 0.000 2.377 117 I HA 0.384 4.553 4.170 -0.000 0.000 0.293 117 I C -1.002 175.121 176.117 0.011 0.000 0.987 117 I CA -0.782 60.478 61.300 -0.066 0.000 1.185 117 I CB 1.268 39.065 38.000 -0.338 0.000 1.341 117 I HN 0.638 nan 8.210 nan 0.000 0.455 118 Y N 4.069 124.450 120.300 0.134 0.000 2.534 118 Y HA 0.490 5.040 4.550 -0.000 0.000 0.345 118 Y C -0.874 175.296 175.900 0.450 0.000 1.031 118 Y CA -1.403 56.882 58.100 0.309 0.000 1.022 118 Y CB 0.927 39.458 38.460 0.118 0.000 1.292 118 Y HN 0.452 nan 8.280 nan 0.000 0.459 119 N N 3.331 122.275 118.700 0.406 0.000 2.420 119 N HA 0.110 4.850 4.740 -0.000 0.000 0.262 119 N C 0.239 175.815 175.510 0.111 0.000 1.144 119 N CA 0.093 53.187 53.050 0.074 0.000 0.952 119 N CB 1.063 39.478 38.487 -0.120 0.000 1.081 119 N HN 0.925 nan 8.380 nan 0.000 0.480 120 K N 2.004 122.391 120.400 -0.023 0.000 2.211 120 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 120 K C 0.472 177.107 176.600 0.058 0.000 1.050 120 K CA 0.999 57.321 56.287 0.058 0.000 0.945 120 K CB 0.356 32.823 32.500 -0.055 0.000 0.732 120 K HN 0.508 nan 8.250 nan 0.000 0.451 121 D N 0.951 121.357 120.400 0.010 0.000 2.103 121 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 121 D C 1.895 178.203 176.300 0.013 0.000 0.978 121 D CA 0.961 54.961 54.000 0.001 0.000 0.829 121 D CB -0.103 40.682 40.800 -0.025 0.000 0.981 121 D HN 0.097 nan 8.370 nan 0.000 0.464 122 L N -0.497 120.735 121.223 0.014 0.000 2.217 122 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 122 L C 0.532 177.433 176.870 0.052 0.000 1.107 122 L CA 0.404 55.257 54.840 0.023 0.000 0.783 122 L CB 0.257 42.322 42.059 0.010 0.000 0.919 122 L HN -0.005 nan 8.230 nan 0.000 0.442 123 L N -0.539 120.743 121.223 0.098 0.000 2.534 123 L HA 0.346 4.686 4.340 -0.000 0.000 0.259 123 L C -2.271 174.696 176.870 0.161 0.000 1.108 123 L CA -1.196 53.709 54.840 0.108 0.000 0.905 123 L CB 1.114 43.246 42.059 0.123 0.000 1.138 123 L HN -0.257 nan 8.230 nan 0.000 0.475 124 P HA 0.026 nan 4.420 nan 0.000 0.217 124 P C -0.347 176.986 177.300 0.056 0.000 1.151 124 P CA 1.001 64.169 63.100 0.113 0.000 0.828 124 P CB 0.191 31.922 31.700 0.051 0.000 0.788 125 N N 0.471 119.152 118.700 -0.031 0.000 2.546 125 N HA 0.219 4.959 4.740 -0.000 0.000 0.238 125 N C -2.557 172.829 175.510 -0.208 0.000 0.984 125 N CA -1.754 51.225 53.050 -0.118 0.000 0.935 125 N CB 0.592 39.033 38.487 -0.077 0.000 1.122 125 N HN 0.107 nan 8.380 nan 0.000 0.510 126 P HA 0.219 nan 4.420 nan 0.000 0.275 126 P C -2.687 174.443 177.300 -0.284 0.000 1.228 126 P CA -1.219 61.610 63.100 -0.453 0.000 0.786 126 P CB 0.287 31.444 31.700 -0.905 0.000 0.927 127 P HA 0.146 nan 4.420 nan 0.000 0.276 127 P C 0.425 177.616 177.300 -0.182 0.000 1.230 127 P CA -0.128 62.874 63.100 -0.163 0.000 0.776 127 P CB 0.898 32.517 31.700 -0.135 0.000 0.888 128 K N 0.537 120.856 120.400 -0.135 0.000 2.365 128 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 128 K C 1.043 177.582 176.600 -0.101 0.000 1.042 128 K CA 0.843 57.058 56.287 -0.120 0.000 0.987 128 K CB -0.110 32.338 32.500 -0.087 0.000 0.779 128 K HN 0.648 nan 8.250 nan 0.000 0.484 129 T N -4.219 110.284 114.554 -0.085 0.000 2.893 129 T HA 0.287 4.636 4.350 -0.000 0.000 0.291 129 T C 0.519 175.214 174.700 -0.008 0.000 1.028 129 T CA -0.897 61.189 62.100 -0.023 0.000 0.995 129 T CB 1.119 69.992 68.868 0.009 0.000 1.051 129 T HN 0.111 nan 8.240 nan 0.000 0.470 130 W N 0.929 122.211 121.300 -0.031 0.000 2.363 130 W HA 0.055 4.715 4.660 -0.000 0.000 0.296 130 W C 2.125 178.715 176.519 0.118 0.000 1.212 130 W CA 1.023 58.361 57.345 -0.012 0.000 1.260 130 W CB -0.165 29.160 29.460 -0.225 0.000 1.131 130 W HN 0.822 nan 8.180 nan 0.000 0.530 131 E N 0.112 120.475 120.200 0.272 0.000 2.265 131 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 131 E C 1.622 178.377 176.600 0.258 0.000 0.996 131 E CA 1.361 57.964 56.400 0.338 0.000 0.832 131 E CB -0.304 29.497 29.700 0.169 0.000 0.756 131 E HN 0.373 nan 8.360 nan 0.000 0.491 132 E N 0.071 120.362 120.200 0.150 0.000 2.150 132 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 132 E C 1.886 178.524 176.600 0.063 0.000 0.985 132 E CA 0.630 57.074 56.400 0.073 0.000 0.814 132 E CB -0.080 29.627 29.700 0.012 0.000 0.752 132 E HN 0.326 nan 8.360 nan 0.000 0.466 133 I N 1.090 121.727 120.570 0.111 0.000 2.226 133 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 133 I C -0.819 175.256 176.117 -0.071 0.000 1.100 133 I CA 0.980 62.310 61.300 0.051 0.000 1.374 133 I CB -1.160 36.921 38.000 0.136 0.000 1.057 133 I HN 0.077 nan 8.210 nan 0.000 0.413 134 P HA -0.162 nan 4.420 nan 0.000 0.216 134 P C 1.412 178.512 177.300 -0.334 0.000 1.150 134 P CA 1.722 64.489 63.100 -0.556 0.000 0.837 134 P CB -0.002 31.506 31.700 -0.321 0.000 0.786 135 A N -0.829 121.924 122.820 -0.111 0.000 1.897 135 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 135 A C 2.113 179.675 177.584 -0.038 0.000 1.181 135 A CA 1.144 53.155 52.037 -0.044 0.000 0.620 135 A CB -1.593 17.404 19.000 -0.005 0.000 0.821 135 A HN 0.136 nan 8.150 nan 0.000 0.443 136 L N 0.297 121.496 121.223 -0.040 0.000 2.083 136 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 136 L C 1.916 178.776 176.870 -0.015 0.000 1.083 136 L CA 2.558 57.385 54.840 -0.022 0.000 0.752 136 L CB -0.535 41.512 42.059 -0.021 0.000 0.899 136 L HN 0.511 nan 8.230 nan 0.000 0.433 137 D N -0.792 119.582 120.400 -0.045 0.000 2.117 137 D HA -0.255 4.385 4.640 -0.000 0.000 0.197 137 D C 2.261 178.589 176.300 0.046 0.000 0.987 137 D CA 1.333 55.335 54.000 0.004 0.000 0.829 137 D CB -0.017 40.770 40.800 -0.022 0.000 0.961 137 D HN 0.265 nan 8.370 nan 0.000 0.460 138 K N 0.166 120.585 120.400 0.031 0.000 2.032 138 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 138 K C 2.026 178.651 176.600 0.043 0.000 1.048 138 K CA 1.491 57.817 56.287 0.064 0.000 0.927 138 K CB -0.021 32.513 32.500 0.056 0.000 0.712 138 K HN 0.237 nan 8.250 nan 0.000 0.441 139 E N 0.466 120.681 120.200 0.026 0.000 2.058 139 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 139 E C 2.137 178.752 176.600 0.024 0.000 0.997 139 E CA 1.422 57.834 56.400 0.021 0.000 0.801 139 E CB -0.125 29.582 29.700 0.013 0.000 0.746 139 E HN 0.293 nan 8.360 nan 0.000 0.450 140 L N 0.908 122.148 121.223 0.028 0.000 2.141 140 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 140 L C 2.393 179.283 176.870 0.034 0.000 1.094 140 L CA 0.793 55.652 54.840 0.031 0.000 0.763 140 L CB -0.251 41.831 42.059 0.037 0.000 0.908 140 L HN -0.006 nan 8.230 nan 0.000 0.437 141 K N 0.253 120.680 120.400 0.045 0.000 2.097 141 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 141 K C 2.183 178.802 176.600 0.031 0.000 1.049 141 K CA 1.421 57.735 56.287 0.045 0.000 0.933 141 K CB -0.429 32.108 32.500 0.062 0.000 0.717 141 K HN 0.290 nan 8.250 nan 0.000 0.442 142 A N 2.231 125.069 122.820 0.029 0.000 1.978 142 A HA -0.179 4.140 4.320 -0.000 0.000 0.220 142 A C 1.496 179.090 177.584 0.016 0.000 1.170 142 A CA 1.606 53.655 52.037 0.021 0.000 0.636 142 A CB -0.310 18.702 19.000 0.019 0.000 0.810 142 A HN 0.449 nan 8.150 nan 0.000 0.448 143 K N -1.622 118.787 120.400 0.016 0.000 2.832 143 K HA 0.450 4.770 4.320 -0.000 0.000 0.211 143 K C 0.571 177.177 176.600 0.011 0.000 1.112 143 K CA 0.124 56.418 56.287 0.011 0.000 1.108 143 K CB -0.452 32.053 32.500 0.009 0.000 0.899 143 K HN 0.662 nan 8.250 nan 0.000 0.464 144 G N 1.551 110.359 108.800 0.014 0.000 2.249 144 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.273 144 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.273 144 G C -0.467 174.442 174.900 0.014 0.000 1.036 144 G CA 0.264 45.371 45.100 0.012 0.000 0.824 144 G HN 0.365 nan 8.290 nan 0.000 0.504 145 K N -0.683 119.730 120.400 0.021 0.000 2.439 145 K HA 0.801 5.121 4.320 -0.000 0.000 0.260 145 K C 0.087 176.713 176.600 0.043 0.000 1.032 145 K CA -0.067 56.236 56.287 0.026 0.000 0.882 145 K CB 1.782 34.294 32.500 0.020 0.000 1.420 145 K HN 0.646 nan 8.250 nan 0.000 0.455 146 S N -1.418 114.314 115.700 0.054 0.000 2.600 146 S HA 0.651 5.121 4.470 -0.000 0.000 0.300 146 S C 0.634 175.286 174.600 0.086 0.000 1.087 146 S CA -0.277 57.969 58.200 0.076 0.000 0.965 146 S CB 1.908 65.157 63.200 0.082 0.000 1.089 146 S HN 0.583 nan 8.310 nan 0.000 0.496 147 A N 0.853 123.728 122.820 0.092 0.000 1.855 147 A HA 0.434 4.754 4.320 -0.000 0.000 0.213 147 A C 0.535 178.189 177.584 0.117 0.000 1.195 147 A CA 0.953 53.041 52.037 0.085 0.000 0.610 147 A CB -0.606 18.426 19.000 0.054 0.000 0.837 147 A HN 0.972 nan 8.150 nan 0.000 0.444 148 L N -1.064 120.247 121.223 0.146 0.000 2.431 148 L HA 0.717 5.057 4.340 -0.000 0.000 0.266 148 L C -1.177 175.829 176.870 0.226 0.000 0.978 148 L CA -0.188 54.769 54.840 0.194 0.000 0.822 148 L CB 1.858 44.041 42.059 0.206 0.000 1.310 148 L HN 0.347 nan 8.230 nan 0.000 0.409 149 M N 5.924 125.672 119.600 0.247 0.000 2.271 149 M HA 0.585 5.065 4.480 -0.000 0.000 0.285 149 M C -1.541 174.917 176.300 0.264 0.000 1.059 149 M CA -0.420 54.991 55.300 0.186 0.000 0.940 149 M CB 2.063 34.727 32.600 0.107 0.000 1.636 149 M HN 0.609 nan 8.290 nan 0.000 0.460 150 F N 0.239 120.194 119.950 0.009 0.000 2.779 150 F HA 0.567 5.094 4.527 0.000 0.000 0.316 150 F C -0.849 174.882 175.800 -0.115 0.000 1.164 150 F CA -1.336 56.629 58.000 -0.059 0.000 0.924 150 F CB 0.796 39.825 39.000 0.049 0.000 1.348 150 F HN 0.439 nan 8.300 nan 0.000 0.467 151 N N 1.601 120.159 118.700 -0.238 0.000 2.427 151 N HA 0.166 4.906 4.740 -0.000 0.000 0.269 151 N C 0.099 175.472 175.510 -0.230 0.000 1.235 151 N CA 0.113 52.933 53.050 -0.384 0.000 0.934 151 N CB 0.337 38.328 38.487 -0.827 0.000 1.121 151 N HN 0.778 nan 8.380 nan 0.000 0.480 152 L N 2.158 123.238 121.223 -0.238 0.000 2.607 152 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 152 L C 1.342 178.206 176.870 -0.010 0.000 1.123 152 L CA 0.079 54.830 54.840 -0.148 0.000 0.890 152 L CB 0.090 42.013 42.059 -0.227 0.000 1.103 152 L HN 0.440 nan 8.230 nan 0.000 0.468 153 Q N -0.213 119.591 119.800 0.007 0.000 2.402 153 Q HA 0.157 4.497 4.340 -0.000 0.000 0.206 153 Q C 0.170 176.236 176.000 0.109 0.000 0.919 153 Q CA 0.594 56.422 55.803 0.042 0.000 0.923 153 Q CB 0.665 29.417 28.738 0.023 0.000 1.048 153 Q HN 0.304 nan 8.270 nan 0.000 0.515 154 E N 1.362 121.686 120.200 0.207 0.000 2.165 154 E HA 0.185 4.535 4.350 -0.000 0.000 0.266 154 E C -1.854 175.007 176.600 0.434 0.000 0.889 154 E CA -2.017 54.567 56.400 0.306 0.000 0.756 154 E CB 2.110 32.055 29.700 0.407 0.000 1.131 154 E HN -0.123 nan 8.360 nan 0.000 0.411 155 P HA -0.195 nan 4.420 nan 0.000 0.221 155 P C 1.369 179.046 177.300 0.629 0.000 1.145 155 P CA 0.893 64.275 63.100 0.469 0.000 0.795 155 P CB 0.149 32.133 31.700 0.472 0.000 0.775 156 Y N 0.436 120.908 120.300 0.287 0.000 2.181 156 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 156 Y C 1.955 178.003 175.900 0.247 0.000 1.179 156 Y CA 1.802 60.005 58.100 0.170 0.000 1.179 156 Y CB -1.056 37.276 38.460 -0.215 0.000 0.973 156 Y HN -0.189 nan 8.280 nan 0.000 0.519 157 F N -1.219 118.979 119.950 0.412 0.000 2.473 157 F HA -0.037 4.490 4.527 -0.000 0.000 0.294 157 F C 2.478 178.522 175.800 0.407 0.000 1.103 157 F CA 1.365 59.593 58.000 0.380 0.000 1.442 157 F CB -0.645 38.694 39.000 0.565 0.000 1.097 157 F HN 0.070 nan 8.300 nan 0.000 0.547 158 T N -3.513 111.408 114.554 0.612 0.000 3.057 158 T HA -0.139 4.211 4.350 -0.000 0.000 0.254 158 T C 1.875 176.749 174.700 0.289 0.000 1.094 158 T CA -0.027 62.343 62.100 0.451 0.000 1.088 158 T CB -0.702 68.385 68.868 0.365 0.000 0.934 158 T HN 0.494 nan 8.240 nan 0.000 0.497 159 W N 2.977 124.394 121.300 0.194 0.000 2.338 159 W HA -0.070 4.590 4.660 -0.000 0.000 0.304 159 W C -1.691 174.830 176.519 0.003 0.000 1.212 159 W CA 1.119 58.546 57.345 0.136 0.000 1.264 159 W CB -1.068 28.577 29.460 0.308 0.000 1.142 159 W HN 0.284 nan 8.180 nan 0.000 0.512 160 P HA -0.226 nan 4.420 nan 0.000 0.216 160 P C 1.784 178.948 177.300 -0.227 0.000 1.150 160 P CA 1.641 64.667 63.100 -0.122 0.000 0.843 160 P CB -0.477 31.230 31.700 0.011 0.000 0.787 161 L N -0.959 120.108 121.223 -0.259 0.000 2.072 161 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 161 L C 2.182 178.710 176.870 -0.571 0.000 1.079 161 L CA 1.607 56.126 54.840 -0.535 0.000 0.752 161 L CB -1.171 40.374 42.059 -0.857 0.000 0.906 161 L HN -0.141 nan 8.230 nan 0.000 0.436 162 I N -0.225 120.028 120.570 -0.528 0.000 2.226 162 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 162 I C 2.475 178.179 176.117 -0.688 0.000 1.100 162 I CA 1.208 62.169 61.300 -0.566 0.000 1.374 162 I CB -0.571 37.113 38.000 -0.527 0.000 1.057 162 I HN 0.344 nan 8.210 nan 0.000 0.413 163 A N 0.546 122.791 122.820 -0.958 0.000 2.066 163 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 163 A C 2.527 179.920 177.584 -0.319 0.000 1.157 163 A CA 1.237 52.829 52.037 -0.742 0.000 0.670 163 A CB -0.583 17.888 19.000 -0.882 0.000 0.804 163 A HN 0.402 nan 8.150 nan 0.000 0.453 164 A N 0.192 122.865 122.820 -0.244 0.000 1.892 164 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 164 A C 1.769 179.354 177.584 0.000 0.000 1.188 164 A CA 2.223 54.222 52.037 -0.063 0.000 0.631 164 A CB -0.519 18.505 19.000 0.039 0.000 0.822 164 A HN 0.451 nan 8.150 nan 0.000 0.447 165 D N -2.597 117.828 120.400 0.042 0.000 2.342 165 D HA 0.344 4.984 4.640 -0.000 0.000 0.221 165 D C 0.771 177.076 176.300 0.009 0.000 1.101 165 D CA 0.989 55.011 54.000 0.036 0.000 0.837 165 D CB 0.031 40.893 40.800 0.104 0.000 0.938 165 D HN 0.578 nan 8.370 nan 0.000 0.508 166 G N -0.842 107.951 108.800 -0.011 0.000 2.161 166 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.140 166 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.140 166 G C 0.532 175.468 174.900 0.059 0.000 1.040 166 G CA -0.352 44.775 45.100 0.044 0.000 0.735 166 G HN 0.480 nan 8.290 nan 0.000 0.496 167 G N 0.009 108.755 108.800 -0.091 0.000 2.444 167 G HA2 0.756 4.716 3.960 -0.000 0.000 0.268 167 G HA3 0.756 4.716 3.960 -0.000 0.000 0.268 167 G C -0.336 174.590 174.900 0.043 0.000 1.203 167 G CA 0.073 45.064 45.100 -0.181 0.000 0.835 167 G HN 1.500 nan 8.290 nan 0.000 0.543 168 Y N -1.635 118.795 120.300 0.216 0.000 2.638 168 Y HA 0.725 5.275 4.550 0.000 0.000 0.335 168 Y C 0.625 176.744 175.900 0.366 0.000 1.155 168 Y CA -0.795 57.533 58.100 0.379 0.000 1.046 168 Y CB 0.871 39.449 38.460 0.196 0.000 1.303 168 Y HN 0.672 nan 8.280 nan 0.000 0.460 169 A N 1.173 124.158 122.820 0.275 0.000 1.849 169 A HA 0.450 4.770 4.320 -0.000 0.000 0.214 169 A C -0.463 176.731 177.584 -0.650 0.000 1.269 169 A CA 0.984 52.634 52.037 -0.645 0.000 0.605 169 A CB -0.346 17.967 19.000 -1.145 0.000 0.937 169 A HN 0.567 nan 8.150 nan 0.000 0.461 170 F N -1.439 118.593 119.950 0.136 0.000 2.565 170 F HA 0.539 5.066 4.527 -0.000 0.000 0.313 170 F C -0.129 175.955 175.800 0.473 0.000 1.091 170 F CA -1.066 57.102 58.000 0.279 0.000 0.915 170 F CB 1.802 40.849 39.000 0.079 0.000 1.208 170 F HN -0.069 nan 8.300 nan 0.000 0.453 171 K N 2.063 122.801 120.400 0.563 0.000 2.378 171 K HA 0.115 4.435 4.320 -0.000 0.000 0.288 171 K C -1.370 175.375 176.600 0.241 0.000 1.057 171 K CA 0.037 56.473 56.287 0.249 0.000 0.971 171 K CB -0.199 32.402 32.500 0.168 0.000 0.975 171 K HN 0.537 nan 8.250 nan 0.000 0.475 172 Y N 3.446 123.749 120.300 0.005 0.000 2.436 172 Y HA 0.199 4.749 4.550 -0.000 0.000 0.343 172 Y C -0.380 175.432 175.900 -0.145 0.000 1.008 172 Y CA 0.272 58.220 58.100 -0.253 0.000 1.241 172 Y CB 0.480 38.693 38.460 -0.412 0.000 1.153 172 Y HN 0.656 nan 8.280 nan 0.000 0.521 173 E N 4.821 124.750 120.200 -0.451 0.000 2.311 173 E HA 0.221 4.571 4.350 -0.000 0.000 0.281 173 E C -0.967 175.439 176.600 -0.324 0.000 0.905 173 E CA -0.646 55.599 56.400 -0.258 0.000 0.778 173 E CB 0.689 30.321 29.700 -0.114 0.000 1.240 173 E HN 0.736 nan 8.360 nan 0.000 0.410 174 N N 2.609 121.175 118.700 -0.223 0.000 2.738 174 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 174 N C 0.465 175.828 175.510 -0.246 0.000 1.047 174 N CA 1.472 54.417 53.050 -0.175 0.000 0.707 174 N CB -1.376 37.038 38.487 -0.121 0.000 0.937 174 N HN 0.991 nan 8.380 nan 0.000 0.545 175 G N -0.946 107.643 108.800 -0.352 0.000 2.155 175 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 175 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 175 G C 0.041 174.639 174.900 -0.504 0.000 0.983 175 G CA 1.422 46.336 45.100 -0.311 0.000 0.676 175 G HN 0.973 nan 8.290 nan 0.000 0.528 176 K N -1.884 118.010 120.400 -0.843 0.000 2.548 176 K HA 0.687 5.007 4.320 -0.000 0.000 0.282 176 K C -0.983 175.207 176.600 -0.683 0.000 1.006 176 K CA -1.405 54.524 56.287 -0.597 0.000 0.892 176 K CB 1.064 33.424 32.500 -0.232 0.000 1.499 176 K HN -0.009 nan 8.250 nan 0.000 0.433 177 Y N 0.874 121.076 120.300 -0.165 0.000 2.316 177 Y HA 0.163 4.713 4.550 -0.000 0.000 0.331 177 Y C -0.083 175.791 175.900 -0.044 0.000 1.083 177 Y CA -0.012 58.076 58.100 -0.019 0.000 1.206 177 Y CB 1.124 39.621 38.460 0.063 0.000 1.195 177 Y HN 0.626 nan 8.280 nan 0.000 0.497 178 D N 4.452 124.963 120.400 0.186 0.000 2.365 178 D HA 0.068 4.708 4.640 -0.000 0.000 0.237 178 D C 0.960 177.386 176.300 0.211 0.000 1.190 178 D CA -0.204 53.882 54.000 0.144 0.000 0.867 178 D CB 0.503 41.385 40.800 0.137 0.000 1.050 178 D HN 0.638 nan 8.370 nan 0.000 0.491 179 I N 0.861 121.469 120.570 0.063 0.000 3.001 179 I HA -0.036 4.134 4.170 -0.000 0.000 0.268 179 I C 1.094 177.344 176.117 0.222 0.000 1.267 179 I CA 0.417 61.689 61.300 -0.045 0.000 1.472 179 I CB 0.077 37.961 38.000 -0.194 0.000 1.089 179 I HN 0.005 nan 8.210 nan 0.000 0.468 180 K N 0.640 121.164 120.400 0.205 0.000 2.334 180 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 180 K C 0.154 176.895 176.600 0.235 0.000 1.045 180 K CA 0.310 56.717 56.287 0.201 0.000 1.004 180 K CB -0.157 32.421 32.500 0.129 0.000 0.837 180 K HN 0.271 nan 8.250 nan 0.000 0.510 181 D N 1.944 122.513 120.400 0.282 0.000 2.453 181 D HA 0.093 4.733 4.640 -0.000 0.000 0.223 181 D C -0.997 175.514 176.300 0.351 0.000 1.183 181 D CA -0.182 53.995 54.000 0.295 0.000 0.933 181 D CB 0.261 41.234 40.800 0.288 0.000 1.038 181 D HN -0.278 nan 8.370 nan 0.000 0.513 182 V N 2.589 122.603 119.914 0.167 0.000 2.398 182 V HA 0.545 4.665 4.120 -0.000 0.000 0.286 182 V C 1.319 177.246 176.094 -0.279 0.000 1.026 182 V CA -0.914 61.336 62.300 -0.084 0.000 0.868 182 V CB 1.838 33.596 31.823 -0.108 0.000 0.982 182 V HN 0.547 nan 8.190 nan 0.000 0.443 183 G N 2.289 110.606 108.800 -0.805 0.000 3.949 183 G HA2 0.292 4.252 3.960 -0.000 0.000 0.295 183 G HA3 0.292 4.252 3.960 -0.000 0.000 0.295 183 G C 0.815 175.414 174.900 -0.502 0.000 1.286 183 G CA 0.498 44.773 45.100 -1.375 0.000 1.171 183 G HN 0.845 nan 8.290 nan 0.000 0.586 184 V N -2.263 117.545 119.914 -0.176 0.000 3.506 184 V HA 0.128 4.248 4.120 -0.000 0.000 0.263 184 V C 1.153 177.234 176.094 -0.022 0.000 1.203 184 V CA 1.139 63.454 62.300 0.026 0.000 1.133 184 V CB 0.396 32.275 31.823 0.094 0.000 0.802 184 V HN 0.309 nan 8.190 nan 0.000 0.459 185 D N 0.882 121.248 120.400 -0.057 0.000 2.501 185 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 185 D C 0.298 176.585 176.300 -0.021 0.000 1.202 185 D CA -0.232 53.754 54.000 -0.023 0.000 0.829 185 D CB -0.596 40.203 40.800 -0.001 0.000 1.023 185 D HN 0.666 nan 8.370 nan 0.000 0.499 186 N N 0.151 118.825 118.700 -0.043 0.000 2.434 186 N HA 0.359 5.099 4.740 -0.000 0.000 0.266 186 N C 1.305 176.815 175.510 0.001 0.000 1.223 186 N CA -0.101 52.945 53.050 -0.007 0.000 0.972 186 N CB 0.777 39.272 38.487 0.013 0.000 1.207 186 N HN -0.112 nan 8.380 nan 0.000 0.525 187 A N 0.077 122.909 122.820 0.019 0.000 1.948 187 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 187 A C 2.007 179.605 177.584 0.023 0.000 1.177 187 A CA 2.060 54.110 52.037 0.022 0.000 0.636 187 A CB -1.725 17.291 19.000 0.025 0.000 0.815 187 A HN 0.828 nan 8.150 nan 0.000 0.449 188 G N -0.780 108.030 108.800 0.018 0.000 2.402 188 G HA2 0.032 3.992 3.960 -0.000 0.000 0.216 188 G HA3 0.032 3.992 3.960 -0.000 0.000 0.216 188 G C 1.738 176.625 174.900 -0.023 0.000 1.162 188 G CA 1.386 46.496 45.100 0.017 0.000 0.777 188 G HN 0.813 nan 8.290 nan 0.000 0.539 189 A N 0.803 123.582 122.820 -0.068 0.000 1.898 189 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 189 A C 2.302 179.840 177.584 -0.078 0.000 1.181 189 A CA 1.848 53.811 52.037 -0.124 0.000 0.620 189 A CB -0.309 18.624 19.000 -0.112 0.000 0.819 189 A HN 0.362 nan 8.150 nan 0.000 0.442 190 K N -0.200 120.183 120.400 -0.029 0.000 2.057 190 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 190 K C 2.331 178.940 176.600 0.015 0.000 1.049 190 K CA 1.109 57.392 56.287 -0.007 0.000 0.931 190 K CB -0.336 32.169 32.500 0.010 0.000 0.714 190 K HN 0.436 nan 8.250 nan 0.000 0.440 191 A N 1.378 124.233 122.820 0.057 0.000 1.877 191 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 191 A C 2.457 180.105 177.584 0.107 0.000 1.186 191 A CA 2.008 54.144 52.037 0.165 0.000 0.620 191 A CB -1.322 17.822 19.000 0.241 0.000 0.822 191 A HN 0.426 nan 8.150 nan 0.000 0.443 192 G N -0.320 108.426 108.800 -0.091 0.000 2.446 192 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 192 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 192 G C 1.504 176.174 174.900 -0.383 0.000 1.168 192 G CA 1.303 46.072 45.100 -0.551 0.000 0.771 192 G HN 0.470 nan 8.290 nan 0.000 0.551 193 L N 0.820 121.928 121.223 -0.192 0.000 2.056 193 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 193 L C 2.956 179.786 176.870 -0.066 0.000 1.078 193 L CA 2.395 57.167 54.840 -0.114 0.000 0.749 193 L CB -0.969 41.053 42.059 -0.062 0.000 0.901 193 L HN 0.188 nan 8.230 nan 0.000 0.433 194 T N -0.523 114.017 114.554 -0.024 0.000 2.699 194 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 194 T C 1.655 176.368 174.700 0.022 0.000 1.036 194 T CA 2.040 64.148 62.100 0.014 0.000 1.147 194 T CB -0.576 68.326 68.868 0.058 0.000 0.862 194 T HN 0.369 nan 8.240 nan 0.000 0.446 195 F N 1.334 121.212 119.950 -0.120 0.000 2.095 195 F HA -0.076 4.451 4.527 0.000 0.000 0.298 195 F C 2.033 177.756 175.800 -0.129 0.000 1.104 195 F CA 0.933 58.860 58.000 -0.122 0.000 1.232 195 F CB -0.506 38.309 39.000 -0.308 0.000 0.987 195 F HN 0.042 nan 8.300 nan 0.000 0.475 196 L N -0.055 121.133 121.223 -0.059 0.000 2.012 196 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 196 L C 2.188 179.014 176.870 -0.074 0.000 1.073 196 L CA 1.769 56.570 54.840 -0.065 0.000 0.748 196 L CB -0.965 41.055 42.059 -0.064 0.000 0.891 196 L HN 0.056 nan 8.230 nan 0.000 0.431 197 V N -0.230 119.642 119.914 -0.070 0.000 2.515 197 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 197 V C 2.217 178.264 176.094 -0.079 0.000 1.058 197 V CA 1.731 63.994 62.300 -0.060 0.000 1.064 197 V CB -0.877 30.921 31.823 -0.043 0.000 0.675 197 V HN 0.454 nan 8.190 nan 0.000 0.461 198 D N 0.269 120.599 120.400 -0.116 0.000 2.117 198 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 198 D C 2.176 178.397 176.300 -0.132 0.000 0.982 198 D CA 1.084 55.003 54.000 -0.134 0.000 0.828 198 D CB -0.250 40.441 40.800 -0.182 0.000 0.967 198 D HN 0.327 nan 8.370 nan 0.000 0.464 199 L N 0.424 121.547 121.223 -0.167 0.000 2.081 199 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 199 L C 2.430 179.292 176.870 -0.014 0.000 1.080 199 L CA 0.865 55.692 54.840 -0.021 0.000 0.754 199 L CB -0.334 41.741 42.059 0.028 0.000 0.893 199 L HN 0.060 nan 8.230 nan 0.000 0.433 200 I N -0.736 119.806 120.570 -0.048 0.000 2.277 200 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 200 I C 2.553 178.620 176.117 -0.084 0.000 1.094 200 I CA 1.033 62.298 61.300 -0.058 0.000 1.393 200 I CB -0.291 37.677 38.000 -0.053 0.000 1.078 200 I HN 0.143 nan 8.210 nan 0.000 0.417 201 K N 1.143 121.494 120.400 -0.083 0.000 2.044 201 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 201 K C 1.334 177.863 176.600 -0.120 0.000 1.049 201 K CA 2.077 58.314 56.287 -0.084 0.000 0.927 201 K CB -0.381 32.079 32.500 -0.068 0.000 0.713 201 K HN 0.432 nan 8.250 nan 0.000 0.443 202 N N 0.549 119.146 118.700 -0.171 0.000 2.383 202 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 202 N C -0.722 174.474 175.510 -0.523 0.000 1.141 202 N CA 0.056 52.923 53.050 -0.304 0.000 0.851 202 N CB 0.306 38.623 38.487 -0.285 0.000 0.976 202 N HN 0.074 nan 8.380 nan 0.000 0.465 203 K N -0.315 119.893 120.400 -0.321 0.000 3.129 203 K HA -0.221 4.099 4.320 -0.000 0.000 0.273 203 K C -0.395 176.069 176.600 -0.227 0.000 1.123 203 K CA 0.411 56.561 56.287 -0.228 0.000 0.800 203 K CB -1.631 30.767 32.500 -0.170 0.000 1.238 203 K HN 0.523 nan 8.250 nan 0.000 0.492 204 H N -0.893 118.175 119.070 -0.003 0.000 2.525 204 H HA 0.232 4.788 4.556 0.000 0.000 0.275 204 H C 0.918 176.266 175.328 0.033 0.000 0.984 204 H CA 0.715 56.776 56.048 0.022 0.000 1.264 204 H CB 0.265 30.044 29.762 0.030 0.000 1.432 204 H HN 0.275 nan 8.280 nan 0.000 0.549 205 M N 0.033 119.689 119.600 0.093 0.000 2.631 205 M HA 0.229 4.709 4.480 -0.000 0.000 0.288 205 M C -0.513 175.777 176.300 -0.017 0.000 1.260 205 M CA -0.549 54.776 55.300 0.041 0.000 0.842 205 M CB 3.414 36.037 32.600 0.039 0.000 1.743 205 M HN -0.058 nan 8.290 nan 0.000 0.461 206 N N 0.218 118.895 118.700 -0.038 0.000 2.362 206 N HA 0.466 5.206 4.740 -0.000 0.000 0.298 206 N C 0.100 175.568 175.510 -0.069 0.000 1.048 206 N CA 0.089 53.110 53.050 -0.048 0.000 0.858 206 N CB 2.119 40.584 38.487 -0.037 0.000 1.218 206 N HN 0.815 nan 8.380 nan 0.000 0.488 207 A N 2.828 125.612 122.820 -0.060 0.000 1.972 207 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 207 A C 1.091 178.639 177.584 -0.061 0.000 1.169 207 A CA 1.330 53.330 52.037 -0.062 0.000 0.635 207 A CB -0.107 18.865 19.000 -0.047 0.000 0.810 207 A HN 0.763 nan 8.150 nan 0.000 0.446 208 D N -0.173 120.196 120.400 -0.051 0.000 2.349 208 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 208 D C 0.107 176.378 176.300 -0.049 0.000 1.029 208 D CA 0.444 54.419 54.000 -0.041 0.000 0.879 208 D CB -0.364 40.419 40.800 -0.029 0.000 0.906 208 D HN 0.221 nan 8.370 nan 0.000 0.528 209 T N 2.575 117.085 114.554 -0.073 0.000 2.867 209 T HA 0.146 4.496 4.350 -0.000 0.000 0.297 209 T C 0.251 174.891 174.700 -0.099 0.000 0.989 209 T CA -0.075 61.973 62.100 -0.087 0.000 1.159 209 T CB 0.744 69.539 68.868 -0.121 0.000 0.928 209 T HN 0.215 nan 8.240 nan 0.000 0.538 210 D N 1.500 121.861 120.400 -0.065 0.000 2.654 210 D HA 0.156 4.796 4.640 -0.000 0.000 0.255 210 D C 1.014 177.290 176.300 -0.040 0.000 1.101 210 D CA -1.025 52.950 54.000 -0.042 0.000 1.116 210 D CB 0.143 40.949 40.800 0.009 0.000 1.348 210 D HN 0.334 nan 8.370 nan 0.000 0.609 211 Y N 0.541 120.774 120.300 -0.113 0.000 2.081 211 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 211 Y C 2.606 178.494 175.900 -0.021 0.000 1.163 211 Y CA 3.504 61.544 58.100 -0.099 0.000 1.135 211 Y CB -0.310 38.120 38.460 -0.048 0.000 0.970 211 Y HN 0.462 nan 8.280 nan 0.000 0.498 212 S N -0.394 115.419 115.700 0.189 0.000 2.368 212 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 212 S C 2.015 176.635 174.600 0.034 0.000 1.029 212 S CA 1.487 59.767 58.200 0.134 0.000 0.988 212 S CB -1.037 62.245 63.200 0.137 0.000 0.838 212 S HN 0.528 nan 8.310 nan 0.000 0.462 213 I N 2.372 122.950 120.570 0.012 0.000 2.179 213 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 213 I C 3.119 179.226 176.117 -0.017 0.000 1.088 213 I CA 1.191 62.490 61.300 -0.002 0.000 1.357 213 I CB -0.688 37.306 38.000 -0.010 0.000 1.051 213 I HN 0.433 nan 8.210 nan 0.000 0.409 214 A N 0.244 123.029 122.820 -0.059 0.000 1.877 214 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 214 A C 2.309 179.867 177.584 -0.044 0.000 1.186 214 A CA 2.077 54.079 52.037 -0.057 0.000 0.620 214 A CB -0.715 18.215 19.000 -0.118 0.000 0.822 214 A HN 0.511 nan 8.150 nan 0.000 0.443 215 E N -0.182 119.940 120.200 -0.131 0.000 2.051 215 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 215 E C 2.144 178.765 176.600 0.034 0.000 0.991 215 E CA 1.141 57.491 56.400 -0.083 0.000 0.799 215 E CB -0.288 29.334 29.700 -0.130 0.000 0.748 215 E HN 0.521 nan 8.360 nan 0.000 0.449 216 A N 1.112 123.949 122.820 0.029 0.000 1.933 216 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 216 A C 2.372 179.982 177.584 0.043 0.000 1.175 216 A CA 1.866 53.927 52.037 0.040 0.000 0.628 216 A CB -0.752 18.267 19.000 0.033 0.000 0.814 216 A HN 0.434 nan 8.150 nan 0.000 0.444 217 A N -1.323 121.528 122.820 0.052 0.000 1.873 217 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 217 A C 2.074 179.704 177.584 0.077 0.000 1.186 217 A CA 1.569 53.640 52.037 0.057 0.000 0.616 217 A CB -0.685 18.354 19.000 0.065 0.000 0.823 217 A HN 0.639 nan 8.150 nan 0.000 0.442 218 F N 1.246 121.184 119.950 -0.020 0.000 2.163 218 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 218 F C 1.831 177.612 175.800 -0.031 0.000 1.094 218 F CA 1.861 59.848 58.000 -0.021 0.000 1.290 218 F CB -0.148 38.831 39.000 -0.035 0.000 1.017 218 F HN 0.201 nan 8.300 nan 0.000 0.483 219 N N 0.458 119.211 118.700 0.089 0.000 2.396 219 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 219 N C 1.341 176.815 175.510 -0.060 0.000 1.028 219 N CA 1.011 54.064 53.050 0.006 0.000 0.893 219 N CB -0.273 38.252 38.487 0.063 0.000 0.967 219 N HN 0.349 nan 8.380 nan 0.000 0.440 220 K N -0.550 119.820 120.400 -0.051 0.000 2.426 220 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 220 K C 0.644 177.190 176.600 -0.090 0.000 1.028 220 K CA 0.390 56.646 56.287 -0.052 0.000 1.047 220 K CB 0.361 32.848 32.500 -0.021 0.000 0.821 220 K HN 0.179 nan 8.250 nan 0.000 0.513 221 G N 1.879 110.580 108.800 -0.164 0.000 2.137 221 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.237 221 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.237 221 G C 0.393 175.224 174.900 -0.114 0.000 1.002 221 G CA 0.412 45.397 45.100 -0.192 0.000 0.702 221 G HN 0.440 nan 8.290 nan 0.000 0.515 222 E N -0.889 119.268 120.200 -0.071 0.000 2.250 222 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 222 E C 1.099 177.702 176.600 0.006 0.000 0.986 222 E CA 1.024 57.411 56.400 -0.021 0.000 0.849 222 E CB 0.398 30.097 29.700 -0.001 0.000 0.797 222 E HN 0.330 nan 8.360 nan 0.000 0.482 223 T N -1.244 113.321 114.554 0.019 0.000 2.876 223 T HA 0.474 4.824 4.350 -0.000 0.000 0.289 223 T C 0.308 175.075 174.700 0.113 0.000 1.014 223 T CA -0.275 61.880 62.100 0.092 0.000 0.986 223 T CB 1.682 70.647 68.868 0.161 0.000 1.021 223 T HN 0.001 nan 8.240 nan 0.000 0.458 224 A N 4.390 127.294 122.820 0.140 0.000 2.067 224 A HA 0.423 4.743 4.320 -0.000 0.000 0.217 224 A C 0.755 178.555 177.584 0.360 0.000 1.156 224 A CA 0.746 52.881 52.037 0.165 0.000 0.683 224 A CB -0.179 18.891 19.000 0.117 0.000 0.808 224 A HN 0.742 nan 8.150 nan 0.000 0.455 225 M N -2.230 117.597 119.600 0.378 0.000 2.569 225 M HA 0.462 4.942 4.480 -0.000 0.000 0.279 225 M C -0.668 175.736 176.300 0.172 0.000 1.253 225 M CA -0.261 55.227 55.300 0.313 0.000 0.867 225 M CB 2.515 35.192 32.600 0.128 0.000 1.727 225 M HN 0.051 nan 8.290 nan 0.000 0.467 226 T N 0.897 115.365 114.554 -0.142 0.000 2.787 226 T HA 0.801 5.151 4.350 -0.000 0.000 0.297 226 T C -1.970 172.631 174.700 -0.164 0.000 1.221 226 T CA -0.547 61.465 62.100 -0.146 0.000 1.006 226 T CB 1.481 70.154 68.868 -0.325 0.000 1.328 226 T HN 0.577 nan 8.240 nan 0.000 0.509 227 I N 3.464 124.001 120.570 -0.055 0.000 2.418 227 I HA 0.552 4.722 4.170 -0.000 0.000 0.287 227 I C -0.182 176.040 176.117 0.176 0.000 1.008 227 I CA -0.721 60.552 61.300 -0.045 0.000 1.104 227 I CB 1.670 39.526 38.000 -0.241 0.000 1.264 227 I HN 0.497 nan 8.210 nan 0.000 0.438 228 N N 2.926 121.678 118.700 0.087 0.000 3.179 228 N HA 0.520 5.260 4.740 -0.000 0.000 0.250 228 N C -0.961 174.404 175.510 -0.241 0.000 1.507 228 N CA -0.360 52.765 53.050 0.125 0.000 0.883 228 N CB 2.414 40.913 38.487 0.019 0.000 1.435 228 N HN 0.643 nan 8.380 nan 0.000 0.532 229 G N 0.076 108.374 108.800 -0.838 0.000 2.552 229 G HA2 0.479 4.439 3.960 -0.000 0.000 0.318 229 G HA3 0.479 4.439 3.960 -0.000 0.000 0.318 229 G C -1.884 171.911 174.900 -1.842 0.000 1.240 229 G CA -1.084 43.089 45.100 -1.545 0.000 1.002 229 G HN 0.314 nan 8.290 nan 0.000 0.493 230 P HA -0.164 nan 4.420 nan 0.000 0.216 230 P C 1.572 178.049 177.300 -1.371 0.000 1.154 230 P CA 2.109 63.893 63.100 -2.193 0.000 0.865 230 P CB -0.095 30.889 31.700 -1.194 0.000 0.789 231 W N 0.489 121.483 121.300 -0.509 0.000 2.308 231 W HA -0.197 4.463 4.660 -0.000 0.000 0.301 231 W C 2.047 178.472 176.519 -0.157 0.000 1.220 231 W CA 1.303 58.498 57.345 -0.250 0.000 1.240 231 W CB -2.121 27.246 29.460 -0.155 0.000 1.142 231 W HN -0.113 nan 8.180 nan 0.000 0.521 232 A N 0.247 122.756 122.820 -0.519 0.000 2.067 232 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 232 A C 1.674 179.257 177.584 -0.002 0.000 1.158 232 A CA 1.292 53.252 52.037 -0.129 0.000 0.661 232 A CB -1.293 17.572 19.000 -0.226 0.000 0.801 232 A HN 0.489 nan 8.150 nan 0.000 0.452 233 W N -0.035 121.197 121.300 -0.112 0.000 2.374 233 W HA -0.072 4.588 4.660 -0.000 0.000 0.288 233 W C 2.739 179.249 176.519 -0.015 0.000 1.218 233 W CA 0.591 57.885 57.345 -0.086 0.000 1.245 233 W CB -1.513 27.957 29.460 0.016 0.000 1.126 233 W HN 0.421 nan 8.180 nan 0.000 0.545 234 S N 0.749 116.586 115.700 0.229 0.000 2.370 234 S HA -0.190 4.280 4.470 -0.000 0.000 0.226 234 S C 1.722 176.391 174.600 0.115 0.000 1.033 234 S CA 1.795 60.091 58.200 0.159 0.000 1.011 234 S CB -0.275 62.991 63.200 0.110 0.000 0.852 234 S HN 0.144 nan 8.310 nan 0.000 0.457 235 N N 1.236 119.996 118.700 0.101 0.000 2.270 235 N HA 0.091 4.831 4.740 -0.000 0.000 0.181 235 N C 1.648 177.193 175.510 0.059 0.000 1.016 235 N CA 1.086 54.184 53.050 0.080 0.000 0.870 235 N CB -0.415 38.129 38.487 0.094 0.000 0.979 235 N HN 0.505 nan 8.380 nan 0.000 0.431 236 I N 0.710 121.296 120.570 0.026 0.000 2.286 236 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 236 I C 1.426 177.569 176.117 0.043 0.000 1.104 236 I CA 0.873 62.140 61.300 -0.054 0.000 1.397 236 I CB -0.225 37.530 38.000 -0.409 0.000 1.072 236 I HN -0.058 nan 8.210 nan 0.000 0.417 237 D N 1.012 121.490 120.400 0.130 0.000 2.116 237 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 237 D C 2.220 178.586 176.300 0.109 0.000 0.998 237 D CA 1.925 56.035 54.000 0.183 0.000 0.836 237 D CB -0.513 40.391 40.800 0.173 0.000 0.951 237 D HN 0.275 nan 8.370 nan 0.000 0.449 238 T N 0.118 114.722 114.554 0.083 0.000 2.833 238 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 238 T C 2.029 176.757 174.700 0.047 0.000 1.054 238 T CA 1.594 63.729 62.100 0.059 0.000 1.135 238 T CB -0.294 68.605 68.868 0.052 0.000 0.869 238 T HN 0.231 nan 8.240 nan 0.000 0.466 239 S N 0.605 116.332 115.700 0.046 0.000 2.481 239 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 239 S C 0.993 175.606 174.600 0.022 0.000 0.996 239 S CA 0.590 58.806 58.200 0.027 0.000 0.942 239 S CB -0.301 62.908 63.200 0.016 0.000 0.768 239 S HN 0.289 nan 8.310 nan 0.000 0.520 240 K N -0.041 120.386 120.400 0.046 0.000 3.160 240 K HA -0.086 4.234 4.320 -0.000 0.000 0.280 240 K C -0.581 176.037 176.600 0.029 0.000 1.154 240 K CA 0.733 57.044 56.287 0.041 0.000 0.822 240 K CB -2.593 29.918 32.500 0.018 0.000 1.239 240 K HN 0.419 nan 8.250 nan 0.000 0.489 241 V N 1.351 121.289 119.914 0.040 0.000 2.555 241 V HA 0.072 4.192 4.120 -0.000 0.000 0.286 241 V C 0.841 176.994 176.094 0.099 0.000 1.044 241 V CA -0.551 61.751 62.300 0.002 0.000 1.026 241 V CB 1.266 33.022 31.823 -0.112 0.000 0.981 241 V HN 0.311 nan 8.190 nan 0.000 0.480 242 N N 4.902 123.608 118.700 0.010 0.000 2.415 242 N HA 0.190 4.930 4.740 -0.000 0.000 0.250 242 N C -0.904 174.589 175.510 -0.028 0.000 1.127 242 N CA -0.159 52.874 53.050 -0.028 0.000 0.945 242 N CB -0.137 38.313 38.487 -0.062 0.000 1.196 242 N HN 0.616 nan 8.380 nan 0.000 0.499 243 Y N 0.407 120.613 120.300 -0.157 0.000 2.536 243 Y HA 0.853 5.403 4.550 0.000 0.000 0.347 243 Y C 0.055 175.727 175.900 -0.379 0.000 1.000 243 Y CA -1.520 56.454 58.100 -0.210 0.000 1.051 243 Y CB 0.964 39.449 38.460 0.041 0.000 1.259 243 Y HN 0.276 nan 8.280 nan 0.000 0.468 244 G N 1.106 109.515 108.800 -0.652 0.000 2.482 244 G HA2 0.565 4.525 3.960 -0.000 0.000 0.317 244 G HA3 0.565 4.525 3.960 -0.000 0.000 0.317 244 G C -1.990 172.765 174.900 -0.242 0.000 1.241 244 G CA -1.126 43.593 45.100 -0.636 0.000 0.967 244 G HN 0.666 nan 8.290 nan 0.000 0.482 245 V N 1.229 121.073 119.914 -0.117 0.000 2.347 245 V HA 0.654 4.774 4.120 -0.000 0.000 0.280 245 V C 0.421 176.554 176.094 0.065 0.000 1.021 245 V CA -0.363 61.938 62.300 0.002 0.000 0.847 245 V CB 0.850 32.590 31.823 -0.137 0.000 0.990 245 V HN 0.858 nan 8.190 nan 0.000 0.444 246 T N 3.171 117.805 114.554 0.133 0.000 2.831 246 T HA 0.534 4.884 4.350 -0.000 0.000 0.287 246 T C -0.597 174.115 174.700 0.020 0.000 1.070 246 T CA -0.386 61.764 62.100 0.083 0.000 1.010 246 T CB 2.028 70.954 68.868 0.098 0.000 1.264 246 T HN 0.433 nan 8.240 nan 0.000 0.532 247 V N 3.051 122.954 119.914 -0.017 0.000 2.763 247 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 247 V C 0.229 176.283 176.094 -0.067 0.000 1.059 247 V CA -0.031 62.248 62.300 -0.034 0.000 1.138 247 V CB 0.005 31.804 31.823 -0.040 0.000 0.940 247 V HN 0.710 nan 8.190 nan 0.000 0.489 248 L N 8.061 129.249 121.223 -0.060 0.000 2.461 248 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 248 L C -1.968 174.828 176.870 -0.123 0.000 1.197 248 L CA -1.447 53.334 54.840 -0.099 0.000 0.836 248 L CB 0.359 42.401 42.059 -0.030 0.000 1.105 248 L HN 0.554 nan 8.230 nan 0.000 0.477 249 P HA 0.073 nan 4.420 nan 0.000 0.272 249 P C -0.557 176.754 177.300 0.017 0.000 1.223 249 P CA -0.456 62.481 63.100 -0.271 0.000 0.784 249 P CB 0.442 31.730 31.700 -0.687 0.000 0.923 250 T N -0.791 113.801 114.554 0.063 0.000 2.868 250 T HA 0.454 4.804 4.350 -0.000 0.000 0.292 250 T C -0.646 174.244 174.700 0.317 0.000 1.028 250 T CA -0.266 61.922 62.100 0.147 0.000 1.059 250 T CB 0.121 69.013 68.868 0.040 0.000 0.991 250 T HN 0.212 nan 8.240 nan 0.000 0.531 251 F N 2.000 121.975 119.950 0.041 0.000 2.536 251 F HA 0.434 4.961 4.527 -0.000 0.000 0.322 251 F C 0.430 176.157 175.800 -0.121 0.000 1.144 251 F CA -1.353 56.586 58.000 -0.102 0.000 0.924 251 F CB 1.157 39.993 39.000 -0.275 0.000 1.181 251 F HN 0.855 nan 8.300 nan 0.000 0.438 252 K N 4.496 124.441 120.400 -0.757 0.000 3.077 252 K HA -0.226 4.094 4.320 -0.000 0.000 0.264 252 K C 0.932 177.370 176.600 -0.271 0.000 1.008 252 K CA 0.863 56.807 56.287 -0.572 0.000 0.740 252 K CB -1.923 30.131 32.500 -0.743 0.000 1.273 252 K HN 1.458 nan 8.250 nan 0.000 0.477 253 G N -0.328 108.373 108.800 -0.165 0.000 2.205 253 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.261 253 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.261 253 G C 0.013 174.876 174.900 -0.062 0.000 0.980 253 G CA 0.886 45.930 45.100 -0.092 0.000 0.632 253 G HN 0.471 nan 8.290 nan 0.000 0.533 254 Q N 1.098 120.862 119.800 -0.061 0.000 2.235 254 Q HA 0.546 4.886 4.340 -0.000 0.000 0.256 254 Q C -2.338 173.673 176.000 0.018 0.000 0.951 254 Q CA -2.054 53.734 55.803 -0.025 0.000 0.890 254 Q CB 2.291 31.010 28.738 -0.031 0.000 1.279 254 Q HN 0.249 nan 8.270 nan 0.000 0.444 255 P HA 0.029 nan 4.420 nan 0.000 0.275 255 P C -0.799 176.528 177.300 0.045 0.000 1.228 255 P CA -0.211 62.907 63.100 0.031 0.000 0.786 255 P CB 0.918 32.623 31.700 0.009 0.000 0.927 256 S N 1.872 117.620 115.700 0.079 0.000 2.549 256 S HA 0.072 4.542 4.470 -0.000 0.000 0.286 256 S C 0.436 175.039 174.600 0.004 0.000 1.314 256 S CA -0.071 58.169 58.200 0.066 0.000 1.062 256 S CB -0.158 63.137 63.200 0.158 0.000 0.865 256 S HN 0.289 nan 8.310 nan 0.000 0.498 257 K N 3.671 124.036 120.400 -0.057 0.000 2.499 257 K HA 0.265 4.585 4.320 -0.000 0.000 0.215 257 K C -2.637 173.934 176.600 -0.048 0.000 1.041 257 K CA -1.741 54.510 56.287 -0.060 0.000 1.031 257 K CB 0.961 33.400 32.500 -0.103 0.000 1.479 257 K HN 0.397 nan 8.250 nan 0.000 0.518 258 P HA 0.057 nan 4.420 nan 0.000 0.275 258 P C -0.485 176.917 177.300 0.170 0.000 1.227 258 P CA -0.373 62.766 63.100 0.065 0.000 0.781 258 P CB 0.509 32.221 31.700 0.020 0.000 0.906 259 F N 1.839 121.964 119.950 0.290 0.000 2.543 259 F HA 0.002 4.529 4.527 -0.000 0.000 0.375 259 F C 0.822 176.804 175.800 0.302 0.000 1.075 259 F CA 0.219 58.417 58.000 0.330 0.000 1.225 259 F CB 0.111 39.359 39.000 0.414 0.000 1.099 259 F HN 0.028 nan 8.300 nan 0.000 0.561 260 V N 4.436 124.685 119.914 0.557 0.000 2.488 260 V HA 0.450 4.570 4.120 -0.000 0.000 0.277 260 V C 0.683 177.091 176.094 0.524 0.000 1.046 260 V CA -0.452 62.120 62.300 0.454 0.000 0.986 260 V CB 0.557 32.625 31.823 0.407 0.000 0.989 260 V HN 0.870 nan 8.190 nan 0.000 0.475 261 G N 3.356 112.432 108.800 0.461 0.000 2.420 261 G HA2 0.595 4.555 3.960 -0.000 0.000 0.331 261 G HA3 0.595 4.555 3.960 -0.000 0.000 0.331 261 G C -1.083 174.024 174.900 0.344 0.000 1.168 261 G CA -0.502 44.862 45.100 0.440 0.000 0.936 261 G HN 0.547 nan 8.290 nan 0.000 0.479 262 V N 3.146 123.295 119.914 0.392 0.000 2.326 262 V HA 0.203 4.323 4.120 -0.000 0.000 0.281 262 V C 0.118 176.293 176.094 0.135 0.000 1.015 262 V CA -0.766 61.626 62.300 0.153 0.000 0.823 262 V CB 1.058 32.822 31.823 -0.098 0.000 1.009 262 V HN 0.721 nan 8.190 nan 0.000 0.436 263 L N 5.708 126.985 121.223 0.090 0.000 2.584 263 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 263 L C 0.396 177.291 176.870 0.041 0.000 1.195 263 L CA 1.408 56.293 54.840 0.074 0.000 0.920 263 L CB 0.362 42.478 42.059 0.095 0.000 1.173 263 L HN 0.735 nan 8.230 nan 0.000 0.489 264 S N 3.347 119.038 115.700 -0.015 0.000 2.599 264 S HA 0.902 5.372 4.470 -0.000 0.000 0.294 264 S C -0.778 173.608 174.600 -0.357 0.000 1.094 264 S CA -0.346 57.693 58.200 -0.268 0.000 0.931 264 S CB 1.891 64.719 63.200 -0.621 0.000 1.093 264 S HN 0.890 nan 8.310 nan 0.000 0.488 265 A N 1.261 123.798 122.820 -0.472 0.000 2.340 265 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 265 A C 0.134 177.588 177.584 -0.216 0.000 1.195 265 A CA -0.602 51.055 52.037 -0.634 0.000 0.769 265 A CB 0.457 18.848 19.000 -1.014 0.000 1.163 265 A HN 0.901 nan 8.150 nan 0.000 0.472 266 G N 1.204 110.020 108.800 0.025 0.000 2.410 266 G HA2 0.578 4.538 3.960 -0.000 0.000 0.330 266 G HA3 0.578 4.538 3.960 -0.000 0.000 0.330 266 G C -0.481 174.468 174.900 0.082 0.000 1.142 266 G CA -0.618 44.590 45.100 0.180 0.000 0.902 266 G HN 0.680 nan 8.290 nan 0.000 0.491 267 I N 1.767 122.401 120.570 0.107 0.000 2.336 267 I HA 0.107 4.277 4.170 -0.000 0.000 0.292 267 I C 0.157 176.330 176.117 0.093 0.000 0.991 267 I CA -0.941 60.408 61.300 0.081 0.000 1.227 267 I CB 1.418 39.479 38.000 0.101 0.000 1.366 267 I HN 0.345 nan 8.210 nan 0.000 0.466 268 N N 4.584 123.334 118.700 0.083 0.000 2.412 268 N HA -0.005 4.735 4.740 -0.000 0.000 0.258 268 N C 0.870 176.415 175.510 0.058 0.000 1.236 268 N CA 0.367 53.489 53.050 0.121 0.000 0.882 268 N CB 1.448 39.977 38.487 0.070 0.000 1.066 268 N HN 0.791 nan 8.380 nan 0.000 0.465 269 A N 3.984 126.835 122.820 0.052 0.000 2.019 269 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 269 A C 1.837 179.416 177.584 -0.008 0.000 1.164 269 A CA 1.797 53.848 52.037 0.023 0.000 0.644 269 A CB -0.489 18.521 19.000 0.018 0.000 0.805 269 A HN 0.756 nan 8.150 nan 0.000 0.449 270 A N -0.745 122.054 122.820 -0.036 0.000 2.251 270 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 270 A C 1.361 178.919 177.584 -0.044 0.000 1.187 270 A CA 0.690 52.695 52.037 -0.053 0.000 0.823 270 A CB -0.502 18.443 19.000 -0.091 0.000 0.846 270 A HN 0.443 nan 8.150 nan 0.000 0.486 271 S N 1.102 116.784 115.700 -0.031 0.000 2.533 271 S HA 0.264 4.734 4.470 -0.000 0.000 0.282 271 S C -1.353 173.237 174.600 -0.017 0.000 1.304 271 S CA -0.864 57.319 58.200 -0.028 0.000 1.063 271 S CB 0.737 63.927 63.200 -0.017 0.000 0.881 271 S HN 0.299 nan 8.310 nan 0.000 0.493 272 P HA 0.183 nan 4.420 nan 0.000 0.257 272 P C -0.366 176.934 177.300 -0.000 0.000 1.281 272 P CA 0.160 63.254 63.100 -0.009 0.000 0.826 272 P CB 0.014 31.705 31.700 -0.014 0.000 1.237 273 N N 0.279 118.979 118.700 -0.001 0.000 2.480 273 N HA 0.127 4.867 4.740 -0.000 0.000 0.281 273 N C 0.892 176.414 175.510 0.020 0.000 1.381 273 N CA -0.215 52.841 53.050 0.009 0.000 0.903 273 N CB 0.565 39.050 38.487 -0.004 0.000 1.274 273 N HN 0.176 nan 8.380 nan 0.000 0.505 274 K N 0.649 121.065 120.400 0.026 0.000 2.211 274 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 274 K C 0.990 177.623 176.600 0.055 0.000 1.050 274 K CA 1.150 57.461 56.287 0.041 0.000 0.945 274 K CB 0.380 32.904 32.500 0.040 0.000 0.732 274 K HN 0.158 nan 8.250 nan 0.000 0.451 275 E N 1.001 121.234 120.200 0.054 0.000 2.051 275 E HA -0.068 4.282 4.350 -0.000 0.000 0.189 275 E C 1.906 178.561 176.600 0.091 0.000 0.979 275 E CA 0.713 57.153 56.400 0.066 0.000 0.803 275 E CB -0.129 29.606 29.700 0.059 0.000 0.761 275 E HN 0.130 nan 8.360 nan 0.000 0.451 276 L N 0.538 121.821 121.223 0.100 0.000 2.079 276 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 276 L C 2.433 179.347 176.870 0.074 0.000 1.081 276 L CA 1.132 56.068 54.840 0.160 0.000 0.752 276 L CB -0.615 41.534 42.059 0.151 0.000 0.896 276 L HN 0.171 nan 8.230 nan 0.000 0.433 277 A N 0.367 123.202 122.820 0.024 0.000 1.898 277 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 277 A C 2.422 180.022 177.584 0.025 0.000 1.181 277 A CA 1.954 53.992 52.037 0.003 0.000 0.620 277 A CB -0.428 18.584 19.000 0.019 0.000 0.819 277 A HN 0.355 nan 8.150 nan 0.000 0.442 278 K N -0.549 119.877 120.400 0.044 0.000 2.057 278 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 278 K C 1.984 178.550 176.600 -0.058 0.000 1.049 278 K CA 1.520 57.808 56.287 0.001 0.000 0.931 278 K CB -0.152 32.394 32.500 0.077 0.000 0.714 278 K HN 0.385 nan 8.250 nan 0.000 0.440 279 E N 0.210 120.449 120.200 0.065 0.000 2.038 279 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 279 E C 1.838 178.565 176.600 0.211 0.000 1.000 279 E CA 1.296 57.803 56.400 0.177 0.000 0.803 279 E CB -0.336 29.563 29.700 0.331 0.000 0.750 279 E HN 0.357 nan 8.360 nan 0.000 0.448 280 F N 1.302 121.169 119.950 -0.138 0.000 2.095 280 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 280 F C 2.220 177.933 175.800 -0.144 0.000 1.104 280 F CA 1.335 59.087 58.000 -0.413 0.000 1.232 280 F CB -0.322 38.141 39.000 -0.895 0.000 0.987 280 F HN -0.060 nan 8.300 nan 0.000 0.475 281 L N -0.177 120.911 121.223 -0.226 0.000 2.044 281 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 281 L C 2.482 179.108 176.870 -0.407 0.000 1.075 281 L CA 1.621 56.223 54.840 -0.397 0.000 0.747 281 L CB -0.748 40.956 42.059 -0.591 0.000 0.903 281 L HN 0.139 nan 8.230 nan 0.000 0.435 282 E N 0.021 119.933 120.200 -0.479 0.000 2.028 282 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 282 E C 1.510 178.070 176.600 -0.066 0.000 0.984 282 E CA 1.059 57.171 56.400 -0.480 0.000 0.800 282 E CB -0.009 29.198 29.700 -0.822 0.000 0.758 282 E HN 0.427 nan 8.360 nan 0.000 0.448 283 N N -1.009 117.679 118.700 -0.020 0.000 2.299 283 N HA 0.024 4.764 4.740 -0.000 0.000 0.187 283 N C 0.587 176.031 175.510 -0.111 0.000 1.099 283 N CA 0.581 53.643 53.050 0.020 0.000 0.867 283 N CB 0.382 38.926 38.487 0.094 0.000 0.974 283 N HN 0.191 nan 8.380 nan 0.000 0.477 284 Y N -0.685 119.531 120.300 -0.140 0.000 2.817 284 Y HA 0.220 4.770 4.550 -0.000 0.000 0.257 284 Y C 1.692 177.409 175.900 -0.306 0.000 1.055 284 Y CA -0.272 57.715 58.100 -0.189 0.000 1.319 284 Y CB -0.345 38.008 38.460 -0.179 0.000 1.481 284 Y HN -0.136 nan 8.280 nan 0.000 0.471 285 L N 0.421 121.430 121.223 -0.357 0.000 2.007 285 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 285 L C 0.824 177.622 176.870 -0.120 0.000 1.073 285 L CA 1.844 56.506 54.840 -0.297 0.000 0.744 285 L CB -0.756 41.087 42.059 -0.360 0.000 0.898 285 L HN 0.127 nan 8.230 nan 0.000 0.435 286 L N 1.489 122.679 121.223 -0.055 0.000 2.650 286 L HA 0.158 4.498 4.340 -0.000 0.000 0.239 286 L C -0.087 176.803 176.870 0.034 0.000 1.412 286 L CA -0.073 54.794 54.840 0.045 0.000 1.219 286 L CB -1.440 40.751 42.059 0.220 0.000 1.534 286 L HN 0.439 nan 8.230 nan 0.000 0.430 287 T N -6.344 108.179 114.554 -0.051 0.000 2.887 287 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 287 T C 0.613 175.217 174.700 -0.160 0.000 1.087 287 T CA -0.891 61.164 62.100 -0.076 0.000 1.009 287 T CB 1.930 70.740 68.868 -0.096 0.000 1.203 287 T HN -0.032 nan 8.240 nan 0.000 0.518 288 D N 0.636 120.942 120.400 -0.157 0.000 2.123 288 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 288 D C 1.748 177.783 176.300 -0.442 0.000 0.992 288 D CA 1.573 55.393 54.000 -0.300 0.000 0.833 288 D CB -0.041 40.715 40.800 -0.073 0.000 0.954 288 D HN 0.725 nan 8.370 nan 0.000 0.455 289 E N 0.288 120.349 120.200 -0.232 0.000 2.072 289 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 289 E C 2.201 178.696 176.600 -0.174 0.000 0.985 289 E CA 1.104 57.399 56.400 -0.175 0.000 0.801 289 E CB -0.560 29.080 29.700 -0.100 0.000 0.750 289 E HN 0.294 nan 8.360 nan 0.000 0.452 290 G N 0.852 109.552 108.800 -0.166 0.000 2.414 290 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 290 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 290 G C 1.534 176.348 174.900 -0.143 0.000 1.188 290 G CA 0.520 45.546 45.100 -0.124 0.000 0.783 290 G HN 0.128 nan 8.290 nan 0.000 0.537 291 L N 0.290 121.381 121.223 -0.220 0.000 2.131 291 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 291 L C 2.729 179.466 176.870 -0.222 0.000 1.092 291 L CA 1.341 56.068 54.840 -0.188 0.000 0.759 291 L CB -0.324 41.636 42.059 -0.166 0.000 0.903 291 L HN 0.391 nan 8.230 nan 0.000 0.435 292 E N 0.628 120.548 120.200 -0.466 0.000 2.077 292 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 292 E C 2.247 178.829 176.600 -0.029 0.000 0.989 292 E CA 1.209 57.479 56.400 -0.216 0.000 0.800 292 E CB 0.019 29.576 29.700 -0.239 0.000 0.746 292 E HN 0.440 nan 8.360 nan 0.000 0.452 293 A N 0.500 123.288 122.820 -0.055 0.000 1.902 293 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 293 A C 2.387 179.974 177.584 0.004 0.000 1.181 293 A CA 1.639 53.671 52.037 -0.008 0.000 0.623 293 A CB -0.637 18.362 19.000 -0.002 0.000 0.818 293 A HN 0.237 nan 8.150 nan 0.000 0.443 294 V N 0.335 120.248 119.914 -0.002 0.000 2.323 294 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 294 V C 2.353 178.466 176.094 0.031 0.000 1.041 294 V CA 2.186 64.486 62.300 0.001 0.000 1.025 294 V CB -1.107 30.713 31.823 -0.005 0.000 0.656 294 V HN 0.727 nan 8.190 nan 0.000 0.451 295 N N 0.263 119.010 118.700 0.078 0.000 2.166 295 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 295 N C 1.798 177.380 175.510 0.121 0.000 1.019 295 N CA 1.329 54.459 53.050 0.134 0.000 0.856 295 N CB -0.145 38.493 38.487 0.252 0.000 0.993 295 N HN 0.400 nan 8.380 nan 0.000 0.426 296 K N -0.182 120.280 120.400 0.102 0.000 2.097 296 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 296 K C 1.331 177.964 176.600 0.055 0.000 1.049 296 K CA 1.360 57.698 56.287 0.084 0.000 0.933 296 K CB -0.145 32.395 32.500 0.067 0.000 0.717 296 K HN 0.296 nan 8.250 nan 0.000 0.442 297 D N 0.535 120.948 120.400 0.022 0.000 2.077 297 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 297 D C -0.067 176.228 176.300 -0.009 0.000 0.983 297 D CA 1.360 55.346 54.000 -0.023 0.000 0.841 297 D CB 0.394 41.144 40.800 -0.083 0.000 0.992 297 D HN -0.162 nan 8.370 nan 0.000 0.450 298 K N 0.423 120.824 120.400 0.002 0.000 2.541 298 K HA 0.388 4.708 4.320 -0.000 0.000 0.250 298 K C -2.654 173.983 176.600 0.062 0.000 0.950 298 K CA -2.167 54.144 56.287 0.039 0.000 0.805 298 K CB 1.952 34.467 32.500 0.026 0.000 1.166 298 K HN -0.018 nan 8.250 nan 0.000 0.430 299 P HA 0.074 nan 4.420 nan 0.000 0.262 299 P C 0.605 177.904 177.300 -0.002 0.000 1.182 299 P CA 0.081 63.215 63.100 0.058 0.000 0.761 299 P CB 0.553 32.296 31.700 0.070 0.000 0.795 300 L N 1.970 123.230 121.223 0.062 0.000 2.418 300 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 300 L C 1.567 178.469 176.870 0.053 0.000 1.125 300 L CA 1.073 55.960 54.840 0.079 0.000 0.835 300 L CB -0.701 41.429 42.059 0.118 0.000 0.953 300 L HN 0.750 nan 8.230 nan 0.000 0.454 301 G N 0.053 108.857 108.800 0.006 0.000 2.513 301 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 301 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 301 G C -0.189 174.763 174.900 0.086 0.000 1.176 301 G CA -0.278 44.831 45.100 0.015 0.000 0.967 301 G HN 0.352 nan 8.290 nan 0.000 0.587 302 A N 0.832 123.697 122.820 0.075 0.000 2.506 302 A HA 0.711 5.031 4.320 -0.000 0.000 0.320 302 A C 0.918 178.559 177.584 0.094 0.000 1.424 302 A CA 0.586 52.660 52.037 0.062 0.000 1.044 302 A CB -0.370 18.634 19.000 0.008 0.000 1.140 302 A HN 2.278 nan 8.150 nan 0.000 0.538 303 V N 0.582 120.574 119.914 0.131 0.000 2.872 303 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 303 V C 1.301 177.512 176.094 0.195 0.000 1.072 303 V CA 0.419 62.819 62.300 0.166 0.000 1.148 303 V CB 0.275 32.236 31.823 0.231 0.000 0.954 303 V HN 1.027 nan 8.190 nan 0.000 0.490 304 A N 3.566 126.471 122.820 0.142 0.000 2.014 304 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 304 A C 1.221 178.849 177.584 0.073 0.000 1.163 304 A CA 0.723 52.841 52.037 0.135 0.000 0.652 304 A CB -0.477 18.491 19.000 -0.054 0.000 0.808 304 A HN 1.028 nan 8.150 nan 0.000 0.449 305 L N 0.902 122.142 121.223 0.028 0.000 2.433 305 L HA 0.135 4.475 4.340 -0.000 0.000 0.275 305 L C 1.106 177.947 176.870 -0.048 0.000 1.128 305 L CA 0.305 55.113 54.840 -0.053 0.000 0.875 305 L CB 0.240 42.299 42.059 0.001 0.000 1.171 305 L HN 0.277 nan 8.230 nan 0.000 0.463 306 K N 1.646 121.873 120.400 -0.288 0.000 2.044 306 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 306 K C 2.025 178.587 176.600 -0.062 0.000 1.049 306 K CA 1.901 57.971 56.287 -0.361 0.000 0.927 306 K CB -0.153 32.045 32.500 -0.503 0.000 0.713 306 K HN 0.917 nan 8.250 nan 0.000 0.443 307 S N 0.273 115.953 115.700 -0.032 0.000 2.356 307 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 307 S C 2.069 176.740 174.600 0.117 0.000 1.032 307 S CA 1.131 59.352 58.200 0.035 0.000 1.005 307 S CB -0.659 62.559 63.200 0.031 0.000 0.867 307 S HN 0.359 nan 8.310 nan 0.000 0.449 308 Y N 2.112 122.413 120.300 0.003 0.000 2.420 308 Y HA 0.192 4.742 4.550 -0.000 0.000 0.292 308 Y C 2.614 178.547 175.900 0.055 0.000 1.119 308 Y CA 0.979 59.095 58.100 0.026 0.000 1.229 308 Y CB -0.287 38.188 38.460 0.024 0.000 1.026 308 Y HN 0.269 nan 8.280 nan 0.000 0.554 309 E N 0.829 121.081 120.200 0.086 0.000 2.077 309 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 309 E C 1.699 178.307 176.600 0.013 0.000 0.989 309 E CA 1.506 57.945 56.400 0.065 0.000 0.800 309 E CB 0.030 29.890 29.700 0.266 0.000 0.746 309 E HN 0.659 nan 8.360 nan 0.000 0.452 310 E N 0.341 120.567 120.200 0.043 0.000 2.110 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 310 E C 2.048 178.626 176.600 -0.036 0.000 0.988 310 E CA 1.004 57.416 56.400 0.020 0.000 0.804 310 E CB -0.089 29.632 29.700 0.036 0.000 0.745 310 E HN 0.320 nan 8.360 nan 0.000 0.458 311 E N 0.222 120.374 120.200 -0.080 0.000 2.150 311 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 311 E C 1.330 177.824 176.600 -0.177 0.000 0.985 311 E CA 0.690 57.018 56.400 -0.119 0.000 0.814 311 E CB 0.244 29.869 29.700 -0.125 0.000 0.752 311 E HN 0.088 nan 8.360 nan 0.000 0.466 312 L N -0.305 120.772 121.223 -0.244 0.000 2.616 312 L HA 0.252 4.592 4.340 -0.000 0.000 0.229 312 L C 1.806 178.620 176.870 -0.094 0.000 1.110 312 L CA 0.647 55.367 54.840 -0.200 0.000 0.884 312 L CB 0.201 42.091 42.059 -0.281 0.000 1.115 312 L HN 0.096 nan 8.230 nan 0.000 0.481 313 A N -0.591 122.187 122.820 -0.070 0.000 2.121 313 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 313 A C 2.224 179.784 177.584 -0.041 0.000 1.154 313 A CA 1.073 53.086 52.037 -0.040 0.000 0.679 313 A CB -0.322 18.663 19.000 -0.025 0.000 0.795 313 A HN 0.346 nan 8.150 nan 0.000 0.458 314 K N 0.243 120.614 120.400 -0.048 0.000 2.097 314 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 314 K C 0.329 176.893 176.600 -0.060 0.000 1.049 314 K CA 0.669 56.927 56.287 -0.049 0.000 0.933 314 K CB -0.193 32.278 32.500 -0.048 0.000 0.717 314 K HN 0.407 nan 8.250 nan 0.000 0.442 315 D N 1.576 121.937 120.400 -0.064 0.000 2.570 315 D HA -0.054 4.586 4.640 -0.000 0.000 0.243 315 D C -1.596 174.646 176.300 -0.096 0.000 1.171 315 D CA -1.213 52.736 54.000 -0.085 0.000 0.879 315 D CB 1.096 41.857 40.800 -0.064 0.000 1.143 315 D HN 0.025 nan 8.370 nan 0.000 0.511 316 P HA -0.077 nan 4.420 nan 0.000 0.223 316 P C 1.119 178.330 177.300 -0.149 0.000 1.151 316 P CA 0.715 63.742 63.100 -0.121 0.000 0.787 316 P CB 0.384 32.007 31.700 -0.130 0.000 0.788 317 R N -0.367 119.976 120.500 -0.262 0.000 2.066 317 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 317 R C 2.329 178.593 176.300 -0.060 0.000 1.131 317 R CA 1.066 56.926 56.100 -0.399 0.000 0.955 317 R CB -0.738 28.887 30.300 -1.125 0.000 0.851 317 R HN 0.147 nan 8.270 nan 0.000 0.432 318 I N 1.111 121.704 120.570 0.038 0.000 2.286 318 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 318 I C 2.537 178.695 176.117 0.068 0.000 1.115 318 I CA 1.240 62.639 61.300 0.165 0.000 1.392 318 I CB -1.425 36.643 38.000 0.113 0.000 1.065 318 I HN 0.149 nan 8.210 nan 0.000 0.418 319 A N 1.073 123.896 122.820 0.006 0.000 1.902 319 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 319 A C 2.591 180.173 177.584 -0.002 0.000 1.181 319 A CA 2.059 54.088 52.037 -0.013 0.000 0.623 319 A CB -0.728 18.251 19.000 -0.034 0.000 0.818 319 A HN 0.416 nan 8.150 nan 0.000 0.443 320 A N -1.051 121.773 122.820 0.007 0.000 1.898 320 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 320 A C 2.295 179.910 177.584 0.052 0.000 1.181 320 A CA 2.218 54.268 52.037 0.021 0.000 0.620 320 A CB -1.293 17.720 19.000 0.021 0.000 0.819 320 A HN 0.430 nan 8.150 nan 0.000 0.442 321 T N 0.248 114.865 114.554 0.104 0.000 2.665 321 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 321 T C 1.900 176.629 174.700 0.049 0.000 1.035 321 T CA 1.795 63.960 62.100 0.108 0.000 1.151 321 T CB -0.264 68.701 68.868 0.162 0.000 0.862 321 T HN 0.286 nan 8.240 nan 0.000 0.438 322 M N 0.830 120.443 119.600 0.022 0.000 2.254 322 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 322 M C 2.249 178.530 176.300 -0.032 0.000 1.066 322 M CA 1.026 56.311 55.300 -0.026 0.000 1.123 322 M CB -1.033 31.534 32.600 -0.056 0.000 1.388 322 M HN 0.385 nan 8.290 nan 0.000 0.425 323 E N 0.602 120.792 120.200 -0.017 0.000 2.051 323 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 323 E C 1.760 178.354 176.600 -0.011 0.000 0.991 323 E CA 1.178 57.566 56.400 -0.020 0.000 0.799 323 E CB 0.174 29.864 29.700 -0.016 0.000 0.748 323 E HN 0.421 nan 8.360 nan 0.000 0.449 324 N N 0.325 119.027 118.700 0.004 0.000 2.142 324 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 324 N C 1.723 177.246 175.510 0.023 0.000 1.023 324 N CA 1.192 54.249 53.050 0.012 0.000 0.852 324 N CB -0.341 38.157 38.487 0.019 0.000 0.998 324 N HN 0.238 nan 8.380 nan 0.000 0.424 325 A N 1.029 123.864 122.820 0.025 0.000 1.908 325 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 325 A C 2.250 179.840 177.584 0.011 0.000 1.181 325 A CA 1.494 53.554 52.037 0.037 0.000 0.627 325 A CB -0.613 18.396 19.000 0.015 0.000 0.818 325 A HN 0.198 nan 8.150 nan 0.000 0.445 326 Q N -0.128 119.656 119.800 -0.027 0.000 2.050 326 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 326 Q C 1.912 177.907 176.000 -0.007 0.000 0.980 326 Q CA 2.088 57.867 55.803 -0.040 0.000 0.840 326 Q CB -0.213 28.495 28.738 -0.051 0.000 0.898 326 Q HN 0.703 nan 8.270 nan 0.000 0.424 327 K N -0.815 119.585 120.400 0.001 0.000 2.366 327 K HA 0.086 4.406 4.320 -0.000 0.000 0.198 327 K C 0.926 177.538 176.600 0.020 0.000 1.044 327 K CA 0.524 56.815 56.287 0.007 0.000 0.973 327 K CB 0.141 32.642 32.500 0.002 0.000 0.767 327 K HN 0.215 nan 8.250 nan 0.000 0.475 328 G N 0.649 109.474 108.800 0.041 0.000 2.543 328 G HA2 0.226 4.186 3.960 -0.000 0.000 0.267 328 G HA3 0.226 4.186 3.960 -0.000 0.000 0.267 328 G C -1.015 173.948 174.900 0.106 0.000 1.406 328 G CA -0.267 44.870 45.100 0.063 0.000 1.048 328 G HN -0.012 nan 8.290 nan 0.000 0.548 329 E N -1.336 118.962 120.200 0.164 0.000 2.266 329 E HA 0.458 4.808 4.350 -0.000 0.000 0.268 329 E C -0.577 176.288 176.600 0.443 0.000 0.879 329 E CA -0.738 55.816 56.400 0.257 0.000 0.762 329 E CB 2.157 31.998 29.700 0.235 0.000 1.199 329 E HN 0.384 nan 8.360 nan 0.000 0.422 330 I N 3.740 124.567 120.570 0.429 0.000 2.588 330 I HA 0.116 4.286 4.170 -0.000 0.000 0.283 330 I C -0.031 176.392 176.117 0.509 0.000 1.119 330 I CA -0.214 61.371 61.300 0.476 0.000 1.419 330 I CB 0.381 38.595 38.000 0.358 0.000 1.394 330 I HN 0.579 nan 8.210 nan 0.000 0.562 331 M N 8.844 128.720 119.600 0.460 0.000 2.248 331 M HA 0.182 4.662 4.480 -0.000 0.000 0.345 331 M C -2.140 174.221 176.300 0.101 0.000 1.243 331 M CA -1.252 54.061 55.300 0.022 0.000 1.090 331 M CB -0.032 32.430 32.600 -0.231 0.000 1.683 331 M HN 0.360 nan 8.290 nan 0.000 0.450 332 P HA 0.028 nan 4.420 nan 0.000 0.270 332 P C -0.388 176.827 177.300 -0.141 0.000 1.223 332 P CA -0.045 62.934 63.100 -0.201 0.000 0.785 332 P CB 0.343 31.611 31.700 -0.720 0.000 0.923 333 N N 1.136 119.834 118.700 -0.003 0.000 2.204 333 N HA 0.045 4.785 4.740 -0.000 0.000 0.219 333 N C 0.311 175.797 175.510 -0.040 0.000 1.151 333 N CA -0.285 52.764 53.050 -0.001 0.000 0.867 333 N CB -0.785 37.799 38.487 0.163 0.000 1.043 333 N HN 0.399 nan 8.380 nan 0.000 0.516 334 I N -2.490 118.038 120.570 -0.069 0.000 2.754 334 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 334 I C -1.515 174.515 176.117 -0.146 0.000 1.166 334 I CA -1.573 59.700 61.300 -0.046 0.000 1.417 334 I CB 0.406 38.325 38.000 -0.135 0.000 1.382 334 I HN -0.293 nan 8.210 nan 0.000 0.588 335 P HA -0.179 nan 4.420 nan 0.000 0.218 335 P C 0.997 178.228 177.300 -0.115 0.000 1.146 335 P CA 1.436 64.452 63.100 -0.141 0.000 0.813 335 P CB 0.018 31.665 31.700 -0.088 0.000 0.778 336 Q N -2.049 117.655 119.800 -0.160 0.000 2.515 336 Q HA 0.034 4.374 4.340 -0.000 0.000 0.212 336 Q C 1.844 177.853 176.000 0.015 0.000 0.970 336 Q CA 0.767 56.491 55.803 -0.132 0.000 0.941 336 Q CB -0.712 27.815 28.738 -0.352 0.000 0.998 336 Q HN 0.227 nan 8.270 nan 0.000 0.518 337 M N -0.335 119.252 119.600 -0.021 0.000 2.175 337 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 337 M C 2.011 178.432 176.300 0.202 0.000 1.063 337 M CA 1.683 57.019 55.300 0.061 0.000 1.119 337 M CB -1.015 31.556 32.600 -0.048 0.000 1.377 337 M HN 0.328 nan 8.290 nan 0.000 0.415 338 S N 0.529 116.338 115.700 0.182 0.000 2.382 338 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 338 S C 2.114 176.858 174.600 0.239 0.000 1.027 338 S CA 1.148 59.491 58.200 0.238 0.000 0.991 338 S CB -0.720 62.536 63.200 0.094 0.000 0.823 338 S HN 0.436 nan 8.310 nan 0.000 0.469 339 A N 1.540 124.474 122.820 0.189 0.000 1.902 339 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 339 A C 1.948 179.684 177.584 0.254 0.000 1.181 339 A CA 1.427 53.589 52.037 0.208 0.000 0.623 339 A CB -1.097 18.005 19.000 0.169 0.000 0.818 339 A HN 0.594 nan 8.150 nan 0.000 0.443 340 F N -0.751 119.251 119.950 0.088 0.000 2.095 340 F HA -0.205 4.322 4.527 0.000 0.000 0.298 340 F C 2.009 177.725 175.800 -0.140 0.000 1.104 340 F CA 1.779 59.707 58.000 -0.120 0.000 1.232 340 F CB -0.564 38.240 39.000 -0.327 0.000 0.987 340 F HN 0.395 nan 8.300 nan 0.000 0.475 341 W N -1.060 120.147 121.300 -0.155 0.000 2.381 341 W HA -0.206 4.454 4.660 -0.000 0.000 0.301 341 W C 2.527 178.951 176.519 -0.158 0.000 1.205 341 W CA 1.284 58.475 57.345 -0.257 0.000 1.285 341 W CB -1.012 28.438 29.460 -0.016 0.000 1.133 341 W HN 0.221 nan 8.180 nan 0.000 0.521 342 Y N 1.361 121.732 120.300 0.119 0.000 2.128 342 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 342 Y C 2.287 178.186 175.900 -0.001 0.000 1.154 342 Y CA 2.270 60.402 58.100 0.054 0.000 1.149 342 Y CB -0.918 37.567 38.460 0.043 0.000 0.976 342 Y HN -0.084 nan 8.280 nan 0.000 0.505 343 A N -0.301 122.477 122.820 -0.070 0.000 1.865 343 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 343 A C 2.324 179.758 177.584 -0.249 0.000 1.191 343 A CA 2.441 54.382 52.037 -0.160 0.000 0.623 343 A CB -1.373 17.605 19.000 -0.038 0.000 0.826 343 A HN 0.361 nan 8.150 nan 0.000 0.444 344 V N 0.031 119.765 119.914 -0.300 0.000 2.379 344 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 344 V C 2.618 178.663 176.094 -0.082 0.000 1.044 344 V CA 2.003 64.183 62.300 -0.201 0.000 1.036 344 V CB -0.869 30.754 31.823 -0.333 0.000 0.664 344 V HN 0.612 nan 8.190 nan 0.000 0.453 345 R N 0.297 120.752 120.500 -0.074 0.000 2.094 345 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 345 R C 2.358 178.588 176.300 -0.116 0.000 1.137 345 R CA 2.460 58.539 56.100 -0.036 0.000 0.943 345 R CB -0.684 29.599 30.300 -0.027 0.000 0.850 345 R HN 0.550 nan 8.270 nan 0.000 0.433 346 T N 0.805 115.192 114.554 -0.278 0.000 2.746 346 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 346 T C 1.868 176.483 174.700 -0.142 0.000 1.039 346 T CA 1.419 63.355 62.100 -0.273 0.000 1.142 346 T CB -0.366 68.197 68.868 -0.509 0.000 0.866 346 T HN 0.476 nan 8.240 nan 0.000 0.444 347 A N 1.138 123.882 122.820 -0.126 0.000 1.865 347 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 347 A C 2.620 180.185 177.584 -0.031 0.000 1.191 347 A CA 1.664 53.664 52.037 -0.062 0.000 0.623 347 A CB -1.141 17.831 19.000 -0.046 0.000 0.826 347 A HN 0.351 nan 8.150 nan 0.000 0.444 348 V N 0.156 120.062 119.914 -0.013 0.000 2.343 348 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 348 V C 2.435 178.526 176.094 -0.005 0.000 1.051 348 V CA 2.017 64.324 62.300 0.011 0.000 1.036 348 V CB -0.716 31.142 31.823 0.059 0.000 0.654 348 V HN 0.563 nan 8.190 nan 0.000 0.451 349 I N 0.496 121.057 120.570 -0.015 0.000 2.179 349 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 349 I C 2.380 178.483 176.117 -0.023 0.000 1.088 349 I CA 1.591 62.879 61.300 -0.020 0.000 1.357 349 I CB -0.478 37.507 38.000 -0.025 0.000 1.051 349 I HN 0.363 nan 8.210 nan 0.000 0.409 350 N N 0.998 119.682 118.700 -0.027 0.000 2.188 350 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 350 N C 1.845 177.343 175.510 -0.020 0.000 1.018 350 N CA 1.522 54.559 53.050 -0.022 0.000 0.858 350 N CB -0.396 38.078 38.487 -0.021 0.000 0.989 350 N HN 0.349 nan 8.380 nan 0.000 0.426 351 A N 0.959 123.767 122.820 -0.020 0.000 1.873 351 A HA 0.076 4.396 4.320 -0.000 0.000 0.215 351 A C 2.327 179.898 177.584 -0.023 0.000 1.186 351 A CA 1.849 53.875 52.037 -0.019 0.000 0.616 351 A CB -0.923 18.067 19.000 -0.016 0.000 0.823 351 A HN 0.289 nan 8.150 nan 0.000 0.442 352 A N 0.309 123.115 122.820 -0.024 0.000 1.972 352 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 352 A C 2.385 179.950 177.584 -0.032 0.000 1.169 352 A CA 2.241 54.259 52.037 -0.031 0.000 0.635 352 A CB -0.840 18.141 19.000 -0.032 0.000 0.810 352 A HN 1.016 nan 8.150 nan 0.000 0.446 353 S N -1.968 113.716 115.700 -0.028 0.000 2.527 353 S HA 0.340 4.810 4.470 -0.000 0.000 0.222 353 S C 1.497 176.082 174.600 -0.025 0.000 0.985 353 S CA 1.075 59.260 58.200 -0.027 0.000 0.921 353 S CB -0.404 62.782 63.200 -0.023 0.000 0.772 353 S HN 1.915 nan 8.310 nan 0.000 0.529 354 G N 1.712 110.497 108.800 -0.024 0.000 2.155 354 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 354 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 354 G C 0.753 175.642 174.900 -0.020 0.000 0.983 354 G CA 0.471 45.557 45.100 -0.023 0.000 0.676 354 G HN 0.569 nan 8.290 nan 0.000 0.528 355 R N -0.642 119.847 120.500 -0.018 0.000 2.193 355 R HA 0.208 4.548 4.340 -0.000 0.000 0.213 355 R C 1.062 177.352 176.300 -0.016 0.000 1.055 355 R CA 1.702 57.792 56.100 -0.016 0.000 0.995 355 R CB 0.082 30.374 30.300 -0.013 0.000 0.893 355 R HN 0.470 nan 8.270 nan 0.000 0.459 356 Q N -0.579 119.211 119.800 -0.015 0.000 2.456 356 Q HA 0.184 4.524 4.340 -0.000 0.000 0.284 356 Q C -1.201 174.791 176.000 -0.013 0.000 1.061 356 Q CA -0.722 55.073 55.803 -0.014 0.000 0.799 356 Q CB 2.048 30.779 28.738 -0.011 0.000 1.445 356 Q HN 0.132 nan 8.270 nan 0.000 0.411 357 T N -1.436 113.112 114.554 -0.011 0.000 2.813 357 T HA 0.242 4.592 4.350 -0.000 0.000 0.297 357 T C 1.039 175.735 174.700 -0.006 0.000 1.036 357 T CA -0.169 61.926 62.100 -0.008 0.000 1.044 357 T CB 0.526 69.391 68.868 -0.005 0.000 0.993 357 T HN 0.369 nan 8.240 nan 0.000 0.535 358 V N 0.994 120.905 119.914 -0.005 0.000 2.343 358 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 358 V C 2.691 178.785 176.094 -0.000 0.000 1.051 358 V CA 2.131 64.428 62.300 -0.005 0.000 1.036 358 V CB -0.835 30.986 31.823 -0.004 0.000 0.654 358 V HN 1.036 nan 8.190 nan 0.000 0.451 359 D N 0.229 120.631 120.400 0.004 0.000 2.097 359 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 359 D C 2.163 178.469 176.300 0.009 0.000 0.989 359 D CA 1.704 55.709 54.000 0.008 0.000 0.827 359 D CB 0.207 41.013 40.800 0.010 0.000 0.966 359 D HN 0.402 nan 8.370 nan 0.000 0.456 360 A N 0.872 123.696 122.820 0.007 0.000 1.929 360 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 360 A C 2.361 179.950 177.584 0.009 0.000 1.176 360 A CA 1.902 53.945 52.037 0.009 0.000 0.628 360 A CB -0.598 18.404 19.000 0.003 0.000 0.816 360 A HN 0.315 nan 8.150 nan 0.000 0.444 361 A N -0.146 122.675 122.820 0.002 0.000 1.877 361 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 361 A C 2.146 179.729 177.584 -0.001 0.000 1.186 361 A CA 1.503 53.539 52.037 -0.003 0.000 0.620 361 A CB -0.570 18.424 19.000 -0.010 0.000 0.822 361 A HN 0.453 nan 8.150 nan 0.000 0.443 362 L N -0.992 120.232 121.223 0.003 0.000 2.156 362 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 362 L C 3.057 179.934 176.870 0.013 0.000 1.095 362 L CA 0.746 55.590 54.840 0.005 0.000 0.770 362 L CB -0.509 41.553 42.059 0.004 0.000 0.914 362 L HN 0.447 nan 8.230 nan 0.000 0.439 363 A N 0.336 123.168 122.820 0.019 0.000 1.908 363 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 363 A C 2.499 180.108 177.584 0.041 0.000 1.181 363 A CA 1.834 53.890 52.037 0.032 0.000 0.627 363 A CB -0.598 18.423 19.000 0.036 0.000 0.818 363 A HN 0.394 nan 8.150 nan 0.000 0.445 364 A N -0.431 122.411 122.820 0.036 0.000 1.968 364 A HA 0.278 4.598 4.320 -0.000 0.000 0.217 364 A C 2.437 180.047 177.584 0.042 0.000 1.169 364 A CA 1.682 53.746 52.037 0.045 0.000 0.638 364 A CB -0.832 18.193 19.000 0.041 0.000 0.812 364 A HN 0.994 nan 8.150 nan 0.000 0.446 365 A N -0.201 122.631 122.820 0.020 0.000 1.902 365 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 365 A C 2.146 179.746 177.584 0.026 0.000 1.181 365 A CA 2.125 54.164 52.037 0.004 0.000 0.623 365 A CB -0.550 18.435 19.000 -0.025 0.000 0.818 365 A HN 0.605 nan 8.150 nan 0.000 0.443 366 Q N -0.026 119.792 119.800 0.030 0.000 2.045 366 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 366 Q C 1.887 177.928 176.000 0.068 0.000 0.991 366 Q CA 3.001 58.829 55.803 0.042 0.000 0.851 366 Q CB -1.151 27.611 28.738 0.040 0.000 0.911 366 Q HN 0.506 nan 8.270 nan 0.000 0.418 367 T N 0.979 115.573 114.554 0.067 0.000 2.737 367 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 367 T C 1.595 176.338 174.700 0.073 0.000 1.038 367 T CA 1.200 63.337 62.100 0.062 0.000 1.144 367 T CB -0.409 68.491 68.868 0.054 0.000 0.866 367 T HN 0.335 nan 8.240 nan 0.000 0.434 368 N N 1.418 120.174 118.700 0.093 0.000 2.069 368 N HA -0.037 4.703 4.740 -0.000 0.000 0.191 368 N C 2.096 177.697 175.510 0.151 0.000 1.031 368 N CA 1.519 54.650 53.050 0.136 0.000 0.852 368 N CB -0.620 37.988 38.487 0.200 0.000 1.018 368 N HN 0.431 nan 8.380 nan 0.000 0.423 369 A N 0.389 123.299 122.820 0.150 0.000 1.930 369 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 369 A C 2.267 180.010 177.584 0.265 0.000 1.175 369 A CA 1.920 54.087 52.037 0.216 0.000 0.627 369 A CB -0.651 18.452 19.000 0.171 0.000 0.815 369 A HN 0.343 nan 8.150 nan 0.000 0.443 370 A N -1.242 121.697 122.820 0.199 0.000 1.935 370 A HA 0.451 4.771 4.320 -0.000 0.000 0.214 370 A C 2.083 179.728 177.584 0.102 0.000 1.178 370 A CA 1.700 53.848 52.037 0.186 0.000 0.640 370 A CB -0.351 18.738 19.000 0.148 0.000 0.825 370 A HN 1.124 nan 8.150 nan 0.000 0.447 371 A N -1.654 121.205 122.820 0.065 0.000 2.498 371 A HA 0.561 4.881 4.320 -0.000 0.000 0.238 371 A C 0.132 177.725 177.584 0.015 0.000 1.225 371 A CA 0.225 52.270 52.037 0.013 0.000 0.978 371 A CB 0.596 19.569 19.000 -0.046 0.000 1.142 371 A HN 0.277 nan 8.150 nan 0.000 0.552 372 V N 0.270 120.207 119.914 0.040 0.000 2.680 372 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 372 V C -0.513 175.582 176.094 0.000 0.000 1.052 372 V CA -0.715 61.597 62.300 0.021 0.000 0.908 372 V CB 1.919 33.760 31.823 0.030 0.000 1.001 372 V HN 0.318 nan 8.190 nan 0.000 0.431 373 K N 2.587 122.962 120.400 -0.041 0.000 2.545 373 K HA 0.704 5.024 4.320 -0.000 0.000 0.252 373 K C -1.684 174.826 176.600 -0.150 0.000 0.948 373 K CA -0.405 55.832 56.287 -0.083 0.000 0.827 373 K CB 1.986 34.461 32.500 -0.041 0.000 1.128 373 K HN 0.506 nan 8.250 nan 0.000 0.429 374 V N 3.488 123.224 119.914 -0.296 0.000 2.398 374 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 374 V C -0.444 175.513 176.094 -0.228 0.000 1.026 374 V CA -0.636 61.464 62.300 -0.333 0.000 0.868 374 V CB 1.439 32.858 31.823 -0.673 0.000 0.982 374 V HN 0.776 nan 8.190 nan 0.000 0.443 375 E N 3.349 123.469 120.200 -0.134 0.000 2.216 375 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 375 E C -1.473 175.092 176.600 -0.058 0.000 0.880 375 E CA -0.513 55.834 56.400 -0.088 0.000 0.765 375 E CB 1.390 31.055 29.700 -0.057 0.000 1.174 375 E HN 0.757 nan 8.360 nan 0.000 0.417 376 c N 6.122 124.688 118.600 -0.058 0.000 2.265 376 c HA 0.507 5.077 4.570 -0.000 0.000 0.332 376 c C 0.202 174.329 174.090 0.061 0.000 1.248 376 c CA -0.652 55.672 56.329 -0.008 0.000 1.727 376 c CB -1.096 41.331 42.510 -0.139 0.000 2.348 376 c HN 0.643 nan 8.230 nan 0.000 0.519 377 L N 1.790 123.076 121.223 0.105 0.000 2.341 377 L HA 0.454 4.794 4.340 -0.000 0.000 0.267 377 L C 1.581 178.511 176.870 0.100 0.000 1.022 377 L CA -0.699 54.192 54.840 0.085 0.000 0.844 377 L CB 0.344 42.414 42.059 0.020 0.000 1.436 377 L HN 0.597 nan 8.230 nan 0.000 0.483 378 E N 0.628 120.836 120.200 0.014 0.000 2.028 378 E HA -0.273 4.077 4.350 -0.000 0.000 0.217 378 E C 1.151 177.618 176.600 -0.221 0.000 1.039 378 E CA 2.147 58.497 56.400 -0.083 0.000 0.882 378 E CB -0.113 29.542 29.700 -0.075 0.000 0.794 378 E HN 0.682 nan 8.360 nan 0.000 0.488 379 A N 0.120 122.841 122.820 -0.165 0.000 2.503 379 A HA 0.163 4.483 4.320 -0.000 0.000 0.263 379 A C 0.189 177.695 177.584 -0.129 0.000 1.258 379 A CA -0.194 51.724 52.037 -0.199 0.000 0.936 379 A CB 0.450 19.361 19.000 -0.149 0.000 1.070 379 A HN 0.146 nan 8.150 nan 0.000 0.522 380 E N -0.530 119.624 120.200 -0.076 0.000 2.369 380 E HA 0.605 4.955 4.350 -0.000 0.000 0.270 380 E C -2.079 174.521 176.600 0.000 0.000 0.909 380 E CA -0.750 55.630 56.400 -0.034 0.000 0.775 380 E CB 2.017 31.702 29.700 -0.025 0.000 1.270 380 E HN 0.207 nan 8.360 nan 0.000 0.445 381 L N 2.532 123.756 121.223 0.002 0.000 2.408 381 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 381 L C -1.881 174.994 176.870 0.009 0.000 0.986 381 L CA -0.655 54.190 54.840 0.007 0.000 0.820 381 L CB 1.939 44.000 42.059 0.004 0.000 1.303 381 L HN 0.284 nan 8.230 nan 0.000 0.411 382 V N 5.266 125.180 119.914 -0.001 0.000 2.444 382 V HA 0.607 4.727 4.120 -0.000 0.000 0.294 382 V C -0.643 175.454 176.094 0.004 0.000 1.022 382 V CA -0.671 61.638 62.300 0.014 0.000 0.850 382 V CB 1.799 33.621 31.823 -0.001 0.000 0.992 382 V HN 0.535 nan 8.190 nan 0.000 0.426 383 V N 3.699 123.651 119.914 0.063 0.000 2.409 383 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 383 V C 0.157 176.333 176.094 0.136 0.000 1.020 383 V CA -0.284 62.047 62.300 0.053 0.000 0.848 383 V CB 1.950 33.776 31.823 0.006 0.000 0.990 383 V HN 0.927 nan 8.190 nan 0.000 0.430 384 T N 4.700 119.290 114.554 0.060 0.000 2.758 384 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 384 T C -0.278 174.457 174.700 0.058 0.000 0.981 384 T CA -0.378 61.760 62.100 0.062 0.000 0.965 384 T CB 1.461 70.337 68.868 0.014 0.000 0.927 384 T HN 0.352 nan 8.240 nan 0.000 0.448 385 V N 2.741 122.709 119.914 0.090 0.000 2.459 385 V HA 0.479 4.599 4.120 -0.000 0.000 0.295 385 V C 0.531 176.632 176.094 0.012 0.000 1.029 385 V CA -0.946 61.389 62.300 0.058 0.000 0.874 385 V CB 1.857 33.748 31.823 0.113 0.000 0.985 385 V HN 0.917 nan 8.190 nan 0.000 0.438 386 S N 3.890 119.578 115.700 -0.020 0.000 2.510 386 S HA 0.201 4.671 4.470 -0.000 0.000 0.279 386 S C 1.308 175.863 174.600 -0.075 0.000 1.284 386 S CA -0.287 57.890 58.200 -0.038 0.000 1.059 386 S CB 0.268 63.446 63.200 -0.036 0.000 0.901 386 S HN 0.704 nan 8.310 nan 0.000 0.491 387 R N 2.763 123.229 120.500 -0.057 0.000 2.115 387 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 387 R C 0.323 176.565 176.300 -0.095 0.000 1.111 387 R CA 1.088 57.146 56.100 -0.070 0.000 0.976 387 R CB -0.189 30.093 30.300 -0.030 0.000 0.870 387 R HN 0.622 nan 8.270 nan 0.000 0.445 388 D N 1.092 121.452 120.400 -0.067 0.000 2.600 388 D HA -0.024 4.616 4.640 -0.000 0.000 0.226 388 D C 0.835 177.057 176.300 -0.129 0.000 1.119 388 D CA -0.089 53.879 54.000 -0.053 0.000 1.051 388 D CB 0.327 41.124 40.800 -0.006 0.000 1.106 388 D HN -0.063 nan 8.370 nan 0.000 0.491 389 L N 2.037 123.065 121.223 -0.324 0.000 2.109 389 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 389 L C 1.031 177.579 176.870 -0.537 0.000 1.086 389 L CA 1.708 56.210 54.840 -0.563 0.000 0.760 389 L CB -0.347 41.100 42.059 -1.020 0.000 0.910 389 L HN 0.314 nan 8.230 nan 0.000 0.437 390 F N -0.993 118.953 119.950 -0.006 0.000 2.656 390 F HA 0.435 4.962 4.527 -0.000 0.000 0.291 390 F C 1.968 177.787 175.800 0.032 0.000 1.122 390 F CA 0.459 58.470 58.000 0.019 0.000 1.427 390 F CB -0.421 38.591 39.000 0.021 0.000 1.125 390 F HN 0.090 nan 8.300 nan 0.000 0.583 391 G N -0.331 108.567 108.800 0.163 0.000 2.179 391 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 391 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 391 G C 1.073 176.045 174.900 0.120 0.000 0.990 391 G CA 0.508 45.681 45.100 0.121 0.000 0.646 391 G HN 0.238 nan 8.290 nan 0.000 0.517 392 T N 0.158 114.808 114.554 0.159 0.000 2.915 392 T HA 0.316 4.666 4.350 -0.000 0.000 0.269 392 T C 2.437 177.190 174.700 0.087 0.000 1.071 392 T CA 2.269 64.441 62.100 0.119 0.000 1.132 392 T CB -0.251 68.697 68.868 0.134 0.000 0.878 392 T HN 2.058 nan 8.240 nan 0.000 0.479 393 G N 1.323 110.174 108.800 0.086 0.000 2.194 393 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.236 393 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.236 393 G C 0.144 175.083 174.900 0.065 0.000 0.987 393 G CA 0.111 45.247 45.100 0.061 0.000 0.635 393 G HN 0.581 nan 8.290 nan 0.000 0.520 394 K N 1.236 121.693 120.400 0.095 0.000 2.316 394 K HA 0.572 4.892 4.320 -0.000 0.000 0.289 394 K C 0.565 177.227 176.600 0.103 0.000 1.070 394 K CA -0.617 55.731 56.287 0.102 0.000 0.928 394 K CB 0.096 32.671 32.500 0.126 0.000 1.039 394 K HN 0.245 nan 8.250 nan 0.000 0.480 395 L N 5.694 126.959 121.223 0.069 0.000 2.305 395 L HA 0.205 4.545 4.340 -0.000 0.000 0.281 395 L C 0.470 177.375 176.870 0.059 0.000 1.085 395 L CA -1.017 53.847 54.840 0.041 0.000 0.813 395 L CB 1.054 43.130 42.059 0.027 0.000 1.157 395 L HN 0.452 nan 8.230 nan 0.000 0.436 396 V N 1.214 121.139 119.914 0.019 0.000 2.924 396 V HA 0.189 4.309 4.120 -0.000 0.000 0.305 396 V C 0.083 176.232 176.094 0.091 0.000 1.073 396 V CA -0.680 61.658 62.300 0.062 0.000 1.098 396 V CB 0.669 32.415 31.823 -0.128 0.000 1.000 396 V HN 0.816 nan 8.190 nan 0.000 0.484 397 Q N 4.036 123.929 119.800 0.155 0.000 2.235 397 Q HA 0.360 4.700 4.340 -0.000 0.000 0.250 397 Q C -1.605 174.469 176.000 0.123 0.000 0.909 397 Q CA -1.808 54.062 55.803 0.111 0.000 0.910 397 Q CB 1.803 30.603 28.738 0.102 0.000 1.223 397 Q HN 0.631 nan 8.270 nan 0.000 0.432 398 P HA -0.174 nan 4.420 nan 0.000 0.218 398 P C 1.002 178.361 177.300 0.098 0.000 1.148 398 P CA 1.354 64.488 63.100 0.057 0.000 0.822 398 P CB 0.118 31.801 31.700 -0.028 0.000 0.784 399 G N 0.192 109.039 108.800 0.078 0.000 2.470 399 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 399 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 399 G C 1.033 175.989 174.900 0.094 0.000 1.121 399 G CA 0.542 45.688 45.100 0.077 0.000 0.766 399 G HN 0.201 nan 8.290 nan 0.000 0.553 400 D N -0.179 120.292 120.400 0.119 0.000 2.349 400 D HA 0.129 4.769 4.640 -0.000 0.000 0.215 400 D C 0.786 177.176 176.300 0.151 0.000 1.016 400 D CA 0.102 54.151 54.000 0.081 0.000 0.870 400 D CB 0.486 41.315 40.800 0.048 0.000 0.917 400 D HN 0.235 nan 8.370 nan 0.000 0.524 401 L N 0.417 121.792 121.223 0.253 0.000 2.295 401 L HA 0.376 4.716 4.340 -0.000 0.000 0.285 401 L C -0.033 176.998 176.870 0.270 0.000 1.035 401 L CA -0.087 54.937 54.840 0.307 0.000 0.806 401 L CB 1.952 44.280 42.059 0.448 0.000 1.214 401 L HN -0.310 nan 8.230 nan 0.000 0.426 402 T N 3.711 118.334 114.554 0.116 0.000 2.921 402 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 402 T C -0.983 173.605 174.700 -0.185 0.000 1.013 402 T CA -0.424 61.696 62.100 0.034 0.000 0.990 402 T CB 1.973 70.881 68.868 0.068 0.000 1.023 402 T HN 0.206 nan 8.240 nan 0.000 0.447 403 L N 3.671 124.697 121.223 -0.329 0.000 2.282 403 L HA 0.727 5.067 4.340 -0.000 0.000 0.288 403 L C 0.789 177.392 176.870 -0.446 0.000 1.033 403 L CA 1.083 55.631 54.840 -0.486 0.000 0.807 403 L CB 0.146 41.840 42.059 -0.608 0.000 1.209 403 L HN 0.997 nan 8.230 nan 0.000 0.423 404 G N 3.354 111.662 108.800 -0.820 0.000 2.601 404 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 404 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 404 G C -0.096 174.425 174.900 -0.631 0.000 1.294 404 G CA 0.017 44.501 45.100 -1.027 0.000 0.912 404 G HN 1.247 nan 8.290 nan 0.000 0.574 405 S N -1.074 114.477 115.700 -0.249 0.000 2.666 405 S HA 0.599 5.069 4.470 -0.000 0.000 0.279 405 S C 1.203 175.801 174.600 -0.003 0.000 1.149 405 S CA 0.805 59.017 58.200 0.019 0.000 1.020 405 S CB 1.385 64.640 63.200 0.090 0.000 1.127 405 S HN 0.786 nan 8.310 nan 0.000 0.537 406 E N 0.676 120.896 120.200 0.034 0.000 2.153 406 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 406 E C 2.025 178.633 176.600 0.014 0.000 0.988 406 E CA 1.358 57.774 56.400 0.027 0.000 0.811 406 E CB -0.975 28.746 29.700 0.034 0.000 0.746 406 E HN 0.801 nan 8.360 nan 0.000 0.466 407 G N -0.066 108.738 108.800 0.007 0.000 2.471 407 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 407 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 407 G C 0.492 175.390 174.900 -0.004 0.000 1.125 407 G CA 0.394 45.497 45.100 0.004 0.000 0.775 407 G HN 0.393 nan 8.290 nan 0.000 0.548 408 c N 1.686 120.271 118.600 -0.024 0.000 2.520 408 c HA 0.522 5.092 4.570 -0.000 0.000 0.369 408 c C 0.397 174.486 174.090 -0.003 0.000 1.244 408 c CA -0.651 55.657 56.329 -0.034 0.000 1.677 408 c CB -1.080 41.373 42.510 -0.096 0.000 2.324 408 c HN 0.485 nan 8.230 nan 0.000 0.557 409 Q N 6.806 126.616 119.800 0.017 0.000 2.849 409 Q HA 0.299 4.639 4.340 -0.000 0.000 0.289 409 Q C -2.046 173.982 176.000 0.046 0.000 1.012 409 Q CA -1.155 54.668 55.803 0.033 0.000 0.899 409 Q CB 1.043 29.796 28.738 0.026 0.000 1.235 409 Q HN 0.695 nan 8.270 nan 0.000 0.457 410 P HA 0.089 nan 4.420 nan 0.000 0.274 410 P C -0.523 176.815 177.300 0.064 0.000 1.246 410 P CA -0.529 62.629 63.100 0.098 0.000 0.795 410 P CB 1.002 32.830 31.700 0.213 0.000 1.006 411 R N 0.691 121.209 120.500 0.029 0.000 2.389 411 R HA 0.335 4.675 4.340 -0.000 0.000 0.295 411 R C -0.978 175.271 176.300 -0.086 0.000 1.075 411 R CA -0.311 55.777 56.100 -0.021 0.000 1.005 411 R CB 0.259 30.544 30.300 -0.024 0.000 0.987 411 R HN 0.274 nan 8.270 nan 0.000 0.452 412 V N 3.393 123.215 119.914 -0.153 0.000 2.444 412 V HA 0.292 4.412 4.120 -0.000 0.000 0.294 412 V C -0.485 175.467 176.094 -0.237 0.000 1.022 412 V CA -0.579 61.522 62.300 -0.331 0.000 0.850 412 V CB 1.867 33.447 31.823 -0.404 0.000 0.992 412 V HN 0.780 nan 8.190 nan 0.000 0.426 413 S N 3.443 118.994 115.700 -0.248 0.000 2.503 413 S HA 0.808 5.278 4.470 -0.000 0.000 0.301 413 S C -0.553 173.951 174.600 -0.160 0.000 1.087 413 S CA -0.673 57.432 58.200 -0.158 0.000 1.042 413 S CB 2.128 65.260 63.200 -0.112 0.000 1.043 413 S HN 0.465 nan 8.310 nan 0.000 0.489 414 V N 2.737 122.585 119.914 -0.109 0.000 2.588 414 V HA 0.512 4.632 4.120 -0.000 0.000 0.304 414 V C -0.785 175.275 176.094 -0.058 0.000 1.042 414 V CA -0.864 61.383 62.300 -0.088 0.000 0.877 414 V CB 1.932 33.710 31.823 -0.074 0.000 0.996 414 V HN 0.767 nan 8.190 nan 0.000 0.425 415 D N 1.336 121.707 120.400 -0.048 0.000 2.569 415 D HA 0.357 4.997 4.640 -0.000 0.000 0.266 415 D C 1.436 177.721 176.300 -0.025 0.000 1.164 415 D CA 0.114 54.094 54.000 -0.033 0.000 1.071 415 D CB 1.458 42.240 40.800 -0.030 0.000 1.183 415 D HN 0.652 nan 8.370 nan 0.000 0.613 416 T N -2.174 112.369 114.554 -0.018 0.000 2.788 416 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 416 T C 0.888 175.581 174.700 -0.011 0.000 1.044 416 T CA 1.602 63.695 62.100 -0.011 0.000 1.139 416 T CB -0.134 68.730 68.868 -0.008 0.000 0.867 416 T HN 0.450 nan 8.240 nan 0.000 0.454 417 D N 1.051 121.443 120.400 -0.013 0.000 2.454 417 D HA 0.164 4.804 4.640 -0.000 0.000 0.214 417 D C 0.728 177.017 176.300 -0.018 0.000 1.088 417 D CA 0.100 54.092 54.000 -0.013 0.000 0.855 417 D CB -0.032 40.762 40.800 -0.010 0.000 1.025 417 D HN 0.594 nan 8.370 nan 0.000 0.502 418 V N -2.172 117.729 119.914 -0.021 0.000 3.007 418 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 418 V C -0.681 175.392 176.094 -0.034 0.000 1.120 418 V CA -1.109 61.179 62.300 -0.021 0.000 0.980 418 V CB 2.351 34.164 31.823 -0.016 0.000 1.033 418 V HN -0.161 nan 8.190 nan 0.000 0.429 419 V N 3.024 122.922 119.914 -0.027 0.000 2.459 419 V HA 0.638 4.758 4.120 -0.000 0.000 0.295 419 V C 0.038 176.081 176.094 -0.084 0.000 1.029 419 V CA -0.531 61.717 62.300 -0.088 0.000 0.874 419 V CB 1.559 33.336 31.823 -0.076 0.000 0.985 419 V HN 1.031 nan 8.190 nan 0.000 0.438 420 R N 3.694 124.077 120.500 -0.195 0.000 2.393 420 R HA 0.561 4.901 4.340 -0.000 0.000 0.315 420 R C -1.767 174.376 176.300 -0.260 0.000 0.952 420 R CA -0.504 55.530 56.100 -0.110 0.000 0.842 420 R CB 1.037 31.294 30.300 -0.072 0.000 1.163 420 R HN 0.537 nan 8.270 nan 0.000 0.450 421 F N 2.923 122.855 119.950 -0.030 0.000 2.404 421 F HA 0.353 4.880 4.527 -0.000 0.000 0.354 421 F C -0.053 175.726 175.800 -0.034 0.000 1.122 421 F CA -0.696 57.286 58.000 -0.030 0.000 1.080 421 F CB 1.616 40.596 39.000 -0.034 0.000 1.131 421 F HN 0.461 nan 8.300 nan 0.000 0.471 422 N N 2.656 121.412 118.700 0.093 0.000 2.501 422 N HA 0.623 5.363 4.740 -0.000 0.000 0.245 422 N C -0.950 174.596 175.510 0.059 0.000 0.974 422 N CA -0.313 52.769 53.050 0.053 0.000 0.941 422 N CB 1.310 39.802 38.487 0.008 0.000 1.122 422 N HN 0.642 nan 8.380 nan 0.000 0.507 423 A N 1.704 124.556 122.820 0.053 0.000 2.355 423 A HA 0.528 4.848 4.320 -0.000 0.000 0.324 423 A C -0.685 176.905 177.584 0.010 0.000 1.117 423 A CA -0.814 51.246 52.037 0.037 0.000 0.785 423 A CB 0.966 19.983 19.000 0.028 0.000 1.254 423 A HN 0.379 nan 8.150 nan 0.000 0.453 424 Q N 1.560 121.365 119.800 0.008 0.000 2.288 424 Q HA 0.188 4.528 4.340 -0.000 0.000 0.258 424 Q C 0.676 176.675 176.000 -0.001 0.000 0.957 424 Q CA -0.478 55.326 55.803 0.001 0.000 0.919 424 Q CB 1.411 30.160 28.738 0.017 0.000 1.185 424 Q HN 0.729 nan 8.270 nan 0.000 0.408 425 L N 2.993 124.196 121.223 -0.033 0.000 2.042 425 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 425 L C 2.150 179.018 176.870 -0.003 0.000 1.076 425 L CA 2.114 56.916 54.840 -0.063 0.000 0.749 425 L CB -0.707 41.216 42.059 -0.227 0.000 0.893 425 L HN 0.833 nan 8.230 nan 0.000 0.432 426 H N -0.142 118.891 119.070 -0.062 0.000 2.293 426 H HA -0.208 4.348 4.556 -0.000 0.000 0.300 426 H C 2.120 177.457 175.328 0.016 0.000 1.082 426 H CA 2.195 58.241 56.048 -0.004 0.000 1.308 426 H CB 0.015 29.767 29.762 -0.017 0.000 1.375 426 H HN 0.617 nan 8.280 nan 0.000 0.495 427 E N -1.202 119.017 120.200 0.031 0.000 2.285 427 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 427 E C 1.362 177.928 176.600 -0.057 0.000 0.997 427 E CA 1.064 57.449 56.400 -0.024 0.000 0.845 427 E CB -0.255 29.479 29.700 0.055 0.000 0.782 427 E HN 0.423 nan 8.360 nan 0.000 0.491 428 c N 0.857 119.428 118.600 -0.048 0.000 2.926 428 c HA 0.281 4.851 4.570 -0.000 0.000 0.272 428 c C 0.712 174.762 174.090 -0.067 0.000 1.249 428 c CA -0.449 55.837 56.329 -0.073 0.000 1.691 428 c CB -0.497 41.970 42.510 -0.071 0.000 1.983 428 c HN 0.224 nan 8.230 nan 0.000 0.615 429 S N 1.780 117.468 115.700 -0.021 0.000 2.443 429 S HA 0.083 4.553 4.470 -0.000 0.000 0.284 429 S C 1.148 175.754 174.600 0.009 0.000 1.206 429 S CA -0.039 58.187 58.200 0.043 0.000 1.074 429 S CB 0.862 64.160 63.200 0.163 0.000 0.963 429 S HN 0.568 nan 8.310 nan 0.000 0.501 430 S N 2.966 118.683 115.700 0.028 0.000 2.414 430 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 430 S C 0.906 175.545 174.600 0.065 0.000 1.022 430 S CA 0.595 58.838 58.200 0.070 0.000 0.958 430 S CB 0.082 63.395 63.200 0.189 0.000 0.797 430 S HN 0.735 nan 8.310 nan 0.000 0.493 431 R N 0.680 121.216 120.500 0.059 0.000 2.651 431 R HA 0.518 4.858 4.340 -0.000 0.000 0.278 431 R C -1.755 174.543 176.300 -0.004 0.000 1.010 431 R CA -0.579 55.539 56.100 0.031 0.000 0.896 431 R CB 1.626 31.953 30.300 0.045 0.000 1.211 431 R HN 0.075 nan 8.270 nan 0.000 0.456 432 V N 1.066 120.945 119.914 -0.058 0.000 2.789 432 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 432 V C -1.127 174.884 176.094 -0.138 0.000 1.073 432 V CA -0.591 61.607 62.300 -0.170 0.000 0.921 432 V CB 1.659 33.343 31.823 -0.231 0.000 1.009 432 V HN 1.007 nan 8.190 nan 0.000 0.426 433 Q N 3.727 123.425 119.800 -0.170 0.000 2.630 433 Q HA 0.678 5.018 4.340 -0.000 0.000 0.295 433 Q C -1.939 173.998 176.000 -0.105 0.000 0.944 433 Q CA -1.139 54.601 55.803 -0.105 0.000 0.766 433 Q CB 2.697 31.398 28.738 -0.061 0.000 1.471 433 Q HN 0.749 nan 8.270 nan 0.000 0.416 434 M N 2.064 121.627 119.600 -0.063 0.000 2.253 434 M HA 0.394 4.874 4.480 -0.000 0.000 0.314 434 M C -0.329 175.957 176.300 -0.023 0.000 1.019 434 M CA -0.714 54.562 55.300 -0.041 0.000 0.932 434 M CB 2.275 34.857 32.600 -0.031 0.000 1.606 434 M HN 0.945 nan 8.290 nan 0.000 0.430 435 T N -1.568 112.979 114.554 -0.011 0.000 2.852 435 T HA 0.347 4.697 4.350 -0.000 0.000 0.281 435 T C 0.988 175.690 174.700 0.002 0.000 0.993 435 T CA -0.732 61.365 62.100 -0.005 0.000 0.933 435 T CB 1.520 70.388 68.868 0.000 0.000 1.187 435 T HN 0.798 nan 8.240 nan 0.000 0.559 436 K N -0.073 120.330 120.400 0.004 0.000 2.063 436 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 436 K C 1.032 177.643 176.600 0.017 0.000 1.048 436 K CA 2.041 58.333 56.287 0.010 0.000 0.928 436 K CB -0.264 32.242 32.500 0.010 0.000 0.713 436 K HN 0.570 nan 8.250 nan 0.000 0.442 437 D N -0.879 119.533 120.400 0.021 0.000 2.366 437 D HA 0.190 4.830 4.640 -0.000 0.000 0.205 437 D C -0.452 175.870 176.300 0.037 0.000 1.022 437 D CA 0.450 54.467 54.000 0.028 0.000 0.868 437 D CB 1.041 41.859 40.800 0.029 0.000 0.953 437 D HN 0.298 nan 8.370 nan 0.000 0.514 438 A N -0.038 122.804 122.820 0.037 0.000 2.515 438 A HA 0.690 5.010 4.320 -0.000 0.000 0.296 438 A C -1.345 176.271 177.584 0.054 0.000 1.094 438 A CA -0.640 51.432 52.037 0.059 0.000 0.718 438 A CB 1.117 20.148 19.000 0.052 0.000 1.307 438 A HN 0.038 nan 8.150 nan 0.000 0.408 439 L N 1.326 122.612 121.223 0.105 0.000 2.282 439 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 439 L C -0.866 176.049 176.870 0.074 0.000 1.033 439 L CA -0.885 53.983 54.840 0.047 0.000 0.807 439 L CB 1.498 43.615 42.059 0.095 0.000 1.209 439 L HN 0.412 nan 8.230 nan 0.000 0.423 440 V N 3.120 122.973 119.914 -0.102 0.000 2.448 440 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 440 V C -0.941 175.048 176.094 -0.175 0.000 1.025 440 V CA -0.659 61.630 62.300 -0.019 0.000 0.859 440 V CB 1.354 33.174 31.823 -0.004 0.000 0.988 440 V HN 0.393 nan 8.190 nan 0.000 0.431 441 Y N 1.895 122.271 120.300 0.126 0.000 2.328 441 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 441 Y C 0.576 176.526 175.900 0.084 0.000 0.966 441 Y CA -0.444 57.719 58.100 0.106 0.000 1.136 441 Y CB 2.083 40.629 38.460 0.144 0.000 1.170 441 Y HN 0.580 nan 8.280 nan 0.000 0.470 442 S N 1.657 117.459 115.700 0.170 0.000 2.526 442 S HA 0.768 5.238 4.470 -0.000 0.000 0.293 442 S C -0.337 174.331 174.600 0.112 0.000 1.092 442 S CA -0.687 57.592 58.200 0.132 0.000 0.980 442 S CB 2.356 65.615 63.200 0.100 0.000 1.048 442 S HN 0.692 nan 8.310 nan 0.000 0.483 443 T N 1.202 115.812 114.554 0.094 0.000 2.598 443 T HA 0.810 5.160 4.350 -0.000 0.000 0.289 443 T C -2.028 172.742 174.700 0.116 0.000 1.056 443 T CA -0.665 61.457 62.100 0.037 0.000 1.088 443 T CB 0.530 69.297 68.868 -0.169 0.000 1.519 443 T HN 0.518 nan 8.240 nan 0.000 0.488 444 F N 0.784 120.728 119.950 -0.010 0.000 2.588 444 F HA 0.863 5.390 4.527 -0.000 0.000 0.310 444 F C -1.507 174.254 175.800 -0.064 0.000 1.082 444 F CA -1.439 56.550 58.000 -0.018 0.000 0.929 444 F CB 1.002 39.998 39.000 -0.007 0.000 1.254 444 F HN 0.432 nan 8.300 nan 0.000 0.455 445 L N 3.992 125.265 121.223 0.083 0.000 2.296 445 L HA 0.743 5.083 4.340 -0.000 0.000 0.286 445 L C -1.561 175.381 176.870 0.120 0.000 1.023 445 L CA -0.757 54.064 54.840 -0.032 0.000 0.812 445 L CB 1.409 43.403 42.059 -0.108 0.000 1.223 445 L HN 0.815 nan 8.230 nan 0.000 0.421 446 L N 5.193 126.493 121.223 0.127 0.000 2.341 446 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 446 L C -1.112 175.861 176.870 0.172 0.000 1.005 446 L CA -0.180 54.763 54.840 0.172 0.000 0.818 446 L CB 1.302 43.489 42.059 0.212 0.000 1.259 446 L HN 0.704 nan 8.230 nan 0.000 0.418 447 H N 3.932 123.057 119.070 0.091 0.000 2.541 447 H HA 0.395 4.951 4.556 -0.000 0.000 0.316 447 H C -1.545 173.858 175.328 0.124 0.000 1.043 447 H CA -0.436 55.676 56.048 0.107 0.000 1.232 447 H CB 1.370 31.195 29.762 0.104 0.000 1.406 447 H HN 0.643 nan 8.280 nan 0.000 0.469 448 D N 7.503 127.720 120.400 -0.306 0.000 2.336 448 D HA 0.146 4.786 4.640 -0.000 0.000 0.248 448 D C -2.184 173.963 176.300 -0.256 0.000 1.326 448 D CA -1.734 52.133 54.000 -0.222 0.000 0.973 448 D CB 1.783 42.550 40.800 -0.055 0.000 1.255 448 D HN 0.362 nan 8.370 nan 0.000 0.558 449 P HA 0.093 nan 4.420 nan 0.000 0.256 449 P C 0.054 177.323 177.300 -0.051 0.000 1.335 449 P CA -0.146 62.868 63.100 -0.143 0.000 0.808 449 P CB 0.057 31.716 31.700 -0.068 0.000 1.305 450 R N 1.986 122.458 120.500 -0.047 0.000 2.543 450 R HA 0.295 4.635 4.340 -0.000 0.000 0.277 450 R C -1.616 174.680 176.300 -0.007 0.000 1.074 450 R CA -1.310 54.779 56.100 -0.018 0.000 1.076 450 R CB -0.265 30.026 30.300 -0.014 0.000 0.993 450 R HN 0.153 nan 8.270 nan 0.000 0.459 451 P HA 0.059 nan 4.420 nan 0.000 0.281 451 P C -0.575 176.727 177.300 0.003 0.000 1.286 451 P CA -0.231 62.869 63.100 0.001 0.000 0.772 451 P CB 1.078 32.781 31.700 0.004 0.000 0.862 452 V N 3.055 122.970 119.914 0.001 0.000 2.732 452 V HA 0.065 4.185 4.120 -0.000 0.000 0.297 452 V C 1.425 177.522 176.094 0.005 0.000 1.060 452 V CA 0.331 62.634 62.300 0.006 0.000 1.038 452 V CB 1.341 33.166 31.823 0.004 0.000 1.003 452 V HN 0.672 nan 8.190 nan 0.000 0.481 453 S N 3.631 119.335 115.700 0.008 0.000 2.335 453 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 453 S C 0.820 175.422 174.600 0.004 0.000 1.032 453 S CA 0.932 59.136 58.200 0.007 0.000 0.985 453 S CB -0.275 62.931 63.200 0.009 0.000 0.896 453 S HN 1.063 nan 8.310 nan 0.000 0.445 454 G N 0.634 109.435 108.800 0.003 0.000 2.702 454 G HA2 0.575 4.535 3.960 -0.000 0.000 0.254 454 G HA3 0.575 4.535 3.960 -0.000 0.000 0.254 454 G C -0.618 174.280 174.900 -0.004 0.000 1.380 454 G CA -0.734 44.366 45.100 -0.000 0.000 1.042 454 G HN 0.174 nan 8.290 nan 0.000 0.557 455 L N -0.210 121.010 121.223 -0.006 0.000 2.479 455 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 455 L C 0.733 177.594 176.870 -0.015 0.000 1.236 455 L CA 0.656 55.491 54.840 -0.009 0.000 0.823 455 L CB 1.157 43.212 42.059 -0.008 0.000 1.098 455 L HN 0.260 nan 8.230 nan 0.000 0.500 456 S N 0.955 116.645 115.700 -0.017 0.000 2.733 456 S HA 0.516 4.986 4.470 -0.000 0.000 0.307 456 S C 0.228 174.814 174.600 -0.024 0.000 1.127 456 S CA -0.449 57.736 58.200 -0.025 0.000 1.097 456 S CB 0.985 64.172 63.200 -0.022 0.000 1.003 456 S HN 0.349 nan 8.310 nan 0.000 0.477 457 I N 2.047 122.598 120.570 -0.032 0.000 5.146 457 I HA 0.298 4.468 4.170 -0.000 0.000 0.233 457 I C 1.868 177.970 176.117 -0.026 0.000 0.965 457 I CA 0.295 61.581 61.300 -0.024 0.000 1.750 457 I CB -0.561 37.426 38.000 -0.021 0.000 1.492 457 I HN 0.488 nan 8.210 nan 0.000 0.465 458 L N -0.071 121.132 121.223 -0.032 0.000 2.034 458 L HA 0.052 4.392 4.340 -0.000 0.000 0.203 458 L C 0.920 177.772 176.870 -0.031 0.000 1.074 458 L CA 1.062 55.887 54.840 -0.024 0.000 0.748 458 L CB -0.275 41.773 42.059 -0.019 0.000 0.905 458 L HN 0.132 nan 8.230 nan 0.000 0.439 459 R N -0.405 120.053 120.500 -0.069 0.000 2.598 459 R HA 0.283 4.623 4.340 -0.000 0.000 0.279 459 R C -0.248 175.990 176.300 -0.103 0.000 0.984 459 R CA -0.395 55.655 56.100 -0.085 0.000 0.999 459 R CB 1.590 31.796 30.300 -0.157 0.000 1.114 459 R HN -0.096 nan 8.270 nan 0.000 0.493 460 T N 0.578 115.101 114.554 -0.052 0.000 2.869 460 T HA 0.067 4.417 4.350 -0.000 0.000 0.295 460 T C 0.952 175.621 174.700 -0.051 0.000 0.987 460 T CA -0.476 61.605 62.100 -0.032 0.000 1.109 460 T CB 0.427 69.308 68.868 0.021 0.000 0.932 460 T HN 0.400 nan 8.240 nan 0.000 0.518 461 N N 3.111 121.779 118.700 -0.054 0.000 2.494 461 N HA 0.012 4.752 4.740 -0.000 0.000 0.182 461 N C 0.706 176.427 175.510 0.352 0.000 1.076 461 N CA 0.304 53.392 53.050 0.064 0.000 0.908 461 N CB -0.087 38.441 38.487 0.068 0.000 0.967 461 N HN 0.562 nan 8.380 nan 0.000 0.449 462 R N 1.212 121.823 120.500 0.185 0.000 2.288 462 R HA 0.243 4.583 4.340 -0.000 0.000 0.330 462 R C -1.082 175.348 176.300 0.216 0.000 1.069 462 R CA 0.020 56.221 56.100 0.168 0.000 0.941 462 R CB 0.312 30.657 30.300 0.076 0.000 0.998 462 R HN -0.227 nan 8.270 nan 0.000 0.452 463 V N 3.941 124.012 119.914 0.262 0.000 2.656 463 V HA 0.385 4.505 4.120 -0.000 0.000 0.307 463 V C -0.501 175.687 176.094 0.156 0.000 1.051 463 V CA -0.793 61.635 62.300 0.212 0.000 0.893 463 V CB 1.872 33.830 31.823 0.224 0.000 0.999 463 V HN 0.759 nan 8.190 nan 0.000 0.426 464 E N 2.686 122.954 120.200 0.114 0.000 2.263 464 E HA 0.697 5.047 4.350 -0.000 0.000 0.268 464 E C -1.646 175.012 176.600 0.096 0.000 0.884 464 E CA -0.525 55.938 56.400 0.105 0.000 0.766 464 E CB 2.419 32.154 29.700 0.059 0.000 1.196 464 E HN 0.665 nan 8.360 nan 0.000 0.416 465 V N 1.284 121.266 119.914 0.115 0.000 2.823 465 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 465 V C -2.713 173.465 176.094 0.140 0.000 1.072 465 V CA -2.479 59.887 62.300 0.109 0.000 0.937 465 V CB 1.577 33.460 31.823 0.099 0.000 1.013 465 V HN 0.544 nan 8.190 nan 0.000 0.430 466 P HA 0.421 nan 4.420 nan 0.000 0.282 466 P C -1.041 176.387 177.300 0.213 0.000 1.262 466 P CA 0.001 63.192 63.100 0.153 0.000 0.773 466 P CB 1.017 32.772 31.700 0.092 0.000 0.879 467 I N 3.186 123.864 120.570 0.180 0.000 2.362 467 I HA 0.437 4.607 4.170 -0.000 0.000 0.289 467 I C 0.458 176.682 176.117 0.178 0.000 0.994 467 I CA -0.510 60.890 61.300 0.166 0.000 1.158 467 I CB 1.040 39.051 38.000 0.019 0.000 1.315 467 I HN 0.476 nan 8.210 nan 0.000 0.451 468 E N 5.179 125.539 120.200 0.267 0.000 2.321 468 E HA 0.539 4.888 4.350 -0.000 0.000 0.278 468 E C -1.919 174.811 176.600 0.216 0.000 0.902 468 E CA -0.390 56.150 56.400 0.233 0.000 0.758 468 E CB 2.188 32.011 29.700 0.204 0.000 1.213 468 E HN 0.622 nan 8.360 nan 0.000 0.426 469 c N 3.316 122.018 118.600 0.170 0.000 2.498 469 c HA 0.609 5.179 4.570 -0.000 0.000 0.316 469 c C -0.655 173.456 174.090 0.036 0.000 1.209 469 c CA -0.645 55.712 56.329 0.046 0.000 1.518 469 c CB 0.906 43.457 42.510 0.069 0.000 2.147 469 c HN 0.688 nan 8.230 nan 0.000 0.483 470 R N 2.058 122.436 120.500 -0.202 0.000 2.480 470 R HA 0.566 4.906 4.340 -0.000 0.000 0.306 470 R C -1.860 174.242 176.300 -0.331 0.000 0.958 470 R CA -0.424 55.610 56.100 -0.110 0.000 0.861 470 R CB 1.546 31.823 30.300 -0.037 0.000 1.171 470 R HN 0.664 nan 8.270 nan 0.000 0.445 471 Y N 2.298 122.680 120.300 0.136 0.000 2.350 471 Y HA 0.322 4.872 4.550 0.000 0.000 0.338 471 Y C -2.050 173.893 175.900 0.071 0.000 0.961 471 Y CA -2.932 55.228 58.100 0.100 0.000 1.100 471 Y CB 1.662 40.202 38.460 0.134 0.000 1.179 471 Y HN 0.412 nan 8.280 nan 0.000 0.454 472 P HA 0.046 nan 4.420 nan 0.000 0.262 472 P C -0.055 177.307 177.300 0.103 0.000 1.182 472 P CA 0.234 63.393 63.100 0.097 0.000 0.761 472 P CB 0.647 32.382 31.700 0.059 0.000 0.795 473 R N 0.000 120.544 120.500 0.074 0.000 2.786 473 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 473 R CA 0.000 56.135 56.100 0.058 0.000 0.921 473 R CB 0.000 30.326 30.300 0.044 0.000 0.687 473 R HN 0.000 nan 8.270 nan 0.000 0.535