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 2wxx_1_D DATA FIRST_RESID 8 DATA SEQUENCE FHLLYHNKST cAXXXXXXXX XXPESTFEPV PIQAKTSPVN EKTLHDQLVL DATA SEQUENCE AAEKLEDEDR KRAAQVAMIT NFVGFRMYKM LNEAGSGASG AILSPPALFG DATA SEQUENCE TLVSFYLGSL DPTASQLQTL LDVPVKEGDc TSRLDGHKVL AALRAVQGLL DATA SEQUENCE VTXXXXXXXX PLLQSIVVGL FTAPGFRLKH SFVQSLALFT PALFPRSLDL DATA SEQUENCE STDPVLATEK INRFIKAVTG WKMNLPLEGV STDSTLLFNT YVHFQGTMRG DATA SEQUENCE FSQLPGVHEF WVDNSISVSV PMISGTGNFQ HWSDAQNNFS VTCVPLGERA DATA SEQUENCE TLLLIQPHCI SDLDRVEALI FQXDLLTWIE NPPPRAIRLT LPQLEIRGSY DATA SEQUENCE NLQDLLAEDK LPTLLGAEAN LNNIGDTNPR VGEVLNSILL ELKAGEXXXX DATA SEQUENCE XXXXXXXXXP EALDVTLSSP FLFAIYEQDS GTLHFLGRVN NPQ 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 176.055 175.800 0.425 0.000 0.967 8 F CA 0.000 58.156 58.000 0.261 0.000 1.383 8 F CB 0.000 39.095 39.000 0.158 0.000 1.145 9 H N 0.308 119.550 119.070 0.287 0.000 2.457 9 H HA -0.026 4.529 4.556 -0.002 0.000 0.297 9 H C 1.415 176.905 175.328 0.269 0.000 1.092 9 H CA 1.600 57.803 56.048 0.258 0.000 1.309 9 H CB -0.448 29.361 29.762 0.078 0.000 1.382 9 H HN 0.485 nan 8.280 nan 0.000 0.535 10 L N 0.486 121.615 121.223 -0.158 0.000 2.622 10 L HA 0.034 4.373 4.340 -0.002 0.000 0.233 10 L C 1.801 178.668 176.870 -0.005 0.000 1.156 10 L CA 0.263 54.999 54.840 -0.174 0.000 0.866 10 L CB -0.107 41.834 42.059 -0.196 0.000 0.980 10 L HN 0.194 nan 8.230 nan 0.000 0.448 11 L N -2.213 119.054 121.223 0.073 0.000 2.616 11 L HA 0.139 4.478 4.340 -0.002 0.000 0.229 11 L C 0.270 177.057 176.870 -0.138 0.000 1.110 11 L CA -0.227 54.583 54.840 -0.050 0.000 0.884 11 L CB -0.056 41.936 42.059 -0.111 0.000 1.115 11 L HN 0.068 nan 8.230 nan 0.000 0.481 12 Y N -1.007 119.301 120.300 0.013 0.000 2.374 12 Y HA 0.295 4.843 4.550 -0.002 0.000 0.322 12 Y C 0.984 176.877 175.900 -0.012 0.000 1.275 12 Y CA -0.730 57.383 58.100 0.021 0.000 1.307 12 Y CB 0.516 39.030 38.460 0.090 0.000 1.282 12 Y HN -0.067 nan 8.280 nan 0.000 0.509 13 H N 0.452 119.679 119.070 0.261 0.000 2.848 13 H HA 0.022 4.577 4.556 -0.002 0.000 0.341 13 H C 0.173 175.587 175.328 0.143 0.000 1.060 13 H CA -0.079 56.071 56.048 0.170 0.000 1.444 13 H CB 0.543 30.396 29.762 0.152 0.000 1.446 13 H HN 0.750 nan 8.280 nan 0.000 0.583 14 N N 0.859 119.696 118.700 0.228 0.000 2.347 14 N HA 0.108 4.847 4.740 -0.002 0.000 0.253 14 N C 1.325 176.909 175.510 0.125 0.000 1.274 14 N CA -0.102 53.035 53.050 0.145 0.000 0.941 14 N CB 0.520 39.068 38.487 0.101 0.000 1.200 14 N HN 0.706 nan 8.380 nan 0.000 0.514 15 K N -1.102 119.347 120.400 0.081 0.000 2.147 15 K HA -0.032 4.287 4.320 -0.002 0.000 0.205 15 K C 2.781 179.410 176.600 0.048 0.000 1.049 15 K CA 2.028 58.349 56.287 0.057 0.000 0.936 15 K CB -1.811 30.713 32.500 0.041 0.000 0.722 15 K HN 0.945 nan 8.250 nan 0.000 0.446 16 S N 0.300 116.032 115.700 0.053 0.000 2.387 16 S HA 0.106 4.575 4.470 -0.002 0.000 0.226 16 S C 2.565 177.196 174.600 0.053 0.000 1.026 16 S CA 2.082 60.309 58.200 0.044 0.000 0.972 16 S CB -0.939 62.286 63.200 0.041 0.000 0.814 16 S HN 0.752 nan 8.310 nan 0.000 0.477 17 T N -1.068 113.544 114.554 0.096 0.000 3.098 17 T HA 0.203 4.552 4.350 -0.002 0.000 0.266 17 T C 0.924 175.638 174.700 0.023 0.000 1.145 17 T CA 0.982 63.168 62.100 0.144 0.000 1.092 17 T CB -0.743 68.341 68.868 0.359 0.000 0.908 17 T HN 0.416 nan 8.240 nan 0.000 0.526 18 c N 2.920 121.521 118.600 0.002 0.000 2.328 18 c HA 0.769 5.338 4.570 -0.002 0.000 0.446 18 c C 1.509 175.580 174.090 -0.031 0.000 1.090 18 c CA -1.617 54.679 56.329 -0.055 0.000 1.510 18 c CB -1.890 40.609 42.510 -0.019 0.000 1.543 18 c HN 0.734 nan 8.230 nan 0.000 0.533 31 E N 0.988 121.200 120.200 0.020 0.000 2.299 31 E HA 0.313 4.662 4.350 -0.002 0.000 0.272 31 E C 0.339 176.970 176.600 0.052 0.000 1.043 31 E CA 0.110 56.533 56.400 0.038 0.000 0.895 31 E CB 1.090 30.806 29.700 0.027 0.000 1.011 31 E HN 0.514 nan 8.360 nan 0.000 0.432 32 S N 2.521 118.283 115.700 0.104 0.000 2.565 32 S HA 0.355 4.824 4.470 -0.002 0.000 0.276 32 S C 0.316 175.010 174.600 0.157 0.000 1.326 32 S CA -0.531 57.763 58.200 0.157 0.000 1.045 32 S CB 1.163 64.505 63.200 0.237 0.000 0.918 32 S HN 0.511 nan 8.310 nan 0.000 0.505 33 T N -0.292 114.301 114.554 0.065 0.000 2.858 33 T HA 0.847 5.196 4.350 -0.002 0.000 0.285 33 T C -0.744 173.916 174.700 -0.066 0.000 1.052 33 T CA -0.927 61.114 62.100 -0.098 0.000 1.009 33 T CB 1.144 69.908 68.868 -0.173 0.000 1.241 33 T HN 1.363 nan 8.240 nan 0.000 0.542 34 F N -1.707 118.035 119.950 -0.347 0.000 2.693 34 F HA 0.736 5.262 4.527 -0.002 0.000 0.309 34 F C -1.026 174.691 175.800 -0.138 0.000 1.129 34 F CA -1.223 56.650 58.000 -0.212 0.000 0.948 34 F CB 1.472 40.332 39.000 -0.234 0.000 1.315 34 F HN 0.821 nan 8.300 nan 0.000 0.447 35 E N 3.349 123.520 120.200 -0.047 0.000 2.115 35 E HA 0.448 4.797 4.350 -0.002 0.000 0.282 35 E C -2.564 174.087 176.600 0.085 0.000 0.987 35 E CA -2.178 54.166 56.400 -0.093 0.000 0.797 35 E CB 1.023 30.714 29.700 -0.015 0.000 1.086 35 E HN 0.397 nan 8.360 nan 0.000 0.397 36 P HA -0.103 nan 4.420 nan 0.000 0.265 36 P C -0.482 176.902 177.300 0.139 0.000 1.187 36 P CA -0.165 63.053 63.100 0.196 0.000 0.766 36 P CB 0.413 32.168 31.700 0.092 0.000 0.820 37 V N 1.425 121.426 119.914 0.146 0.000 2.999 37 V HA 0.222 4.341 4.120 -0.002 0.000 0.307 37 V C -2.286 173.839 176.094 0.052 0.000 1.084 37 V CA -1.788 60.566 62.300 0.091 0.000 1.155 37 V CB -0.784 31.090 31.823 0.085 0.000 0.975 37 V HN 0.410 nan 8.190 nan 0.000 0.490 38 P HA 0.132 nan 4.420 nan 0.000 0.266 38 P C 0.877 178.169 177.300 -0.014 0.000 1.193 38 P CA 0.182 63.291 63.100 0.014 0.000 0.770 38 P CB 0.434 32.144 31.700 0.017 0.000 0.836 39 I N 1.813 122.352 120.570 -0.052 0.000 2.567 39 I HA -0.325 3.844 4.170 -0.002 0.000 0.257 39 I C 1.646 177.728 176.117 -0.059 0.000 1.184 39 I CA 1.567 62.781 61.300 -0.143 0.000 1.451 39 I CB 0.048 37.939 38.000 -0.182 0.000 1.089 39 I HN 0.329 nan 8.210 nan 0.000 0.441 40 Q N 1.419 121.212 119.800 -0.012 0.000 2.181 40 Q HA -0.017 4.322 4.340 -0.002 0.000 0.205 40 Q C 1.131 177.157 176.000 0.042 0.000 0.980 40 Q CA 1.071 56.885 55.803 0.019 0.000 0.862 40 Q CB -0.624 28.122 28.738 0.013 0.000 0.905 40 Q HN 0.595 nan 8.270 nan 0.000 0.429 41 A N 1.657 124.502 122.820 0.042 0.000 2.573 41 A HA -0.064 4.255 4.320 -0.002 0.000 0.250 41 A C -0.054 177.583 177.584 0.088 0.000 1.049 41 A CA 0.134 52.207 52.037 0.059 0.000 0.767 41 A CB -0.211 18.826 19.000 0.062 0.000 0.965 41 A HN 0.191 nan 8.150 nan 0.000 0.514 42 K N 1.654 122.095 120.400 0.068 0.000 2.524 42 K HA 0.194 4.513 4.320 -0.002 0.000 0.279 42 K C -0.425 176.226 176.600 0.085 0.000 0.993 42 K CA 0.960 57.285 56.287 0.063 0.000 1.030 42 K CB 0.195 32.717 32.500 0.037 0.000 0.891 42 K HN 0.731 nan 8.250 nan 0.000 0.488 43 T N 2.048 116.650 114.554 0.080 0.000 3.071 43 T HA 0.154 4.503 4.350 -0.002 0.000 0.311 43 T C -1.091 173.628 174.700 0.032 0.000 1.042 43 T CA -0.839 61.323 62.100 0.103 0.000 1.028 43 T CB 1.554 70.538 68.868 0.194 0.000 1.068 43 T HN 0.478 nan 8.240 nan 0.000 0.451 44 S N 5.021 120.750 115.700 0.049 0.000 2.549 44 S HA 0.332 4.801 4.470 -0.002 0.000 0.283 44 S C -1.794 172.800 174.600 -0.010 0.000 1.320 44 S CA -0.943 57.264 58.200 0.012 0.000 1.058 44 S CB -0.107 63.109 63.200 0.025 0.000 0.882 44 S HN 0.551 nan 8.310 nan 0.000 0.498 45 P HA 0.208 nan 4.420 nan 0.000 0.274 45 P C -0.393 176.865 177.300 -0.071 0.000 1.246 45 P CA -0.536 62.474 63.100 -0.151 0.000 0.795 45 P CB 0.398 31.989 31.700 -0.181 0.000 1.006 46 V N 2.110 121.958 119.914 -0.110 0.000 2.811 46 V HA 0.046 4.165 4.120 -0.002 0.000 0.302 46 V C 1.072 177.143 176.094 -0.037 0.000 1.063 46 V CA -0.050 62.234 62.300 -0.026 0.000 1.088 46 V CB 0.143 31.932 31.823 -0.056 0.000 0.982 46 V HN 0.637 nan 8.190 nan 0.000 0.485 47 N N 3.172 121.880 118.700 0.013 0.000 2.469 47 N HA 0.189 4.928 4.740 -0.002 0.000 0.253 47 N C 0.804 176.360 175.510 0.078 0.000 0.970 47 N CA -0.454 52.615 53.050 0.031 0.000 0.940 47 N CB 1.150 39.652 38.487 0.025 0.000 1.128 47 N HN 0.706 nan 8.380 nan 0.000 0.503 48 E N 2.380 122.653 120.200 0.122 0.000 2.097 48 E HA -0.241 4.108 4.350 -0.002 0.000 0.196 48 E C 1.093 177.779 176.600 0.143 0.000 1.000 48 E CA 1.326 57.838 56.400 0.186 0.000 0.804 48 E CB 0.204 30.059 29.700 0.259 0.000 0.740 48 E HN 0.572 nan 8.360 nan 0.000 0.454 49 K N 0.052 120.506 120.400 0.089 0.000 2.432 49 K HA -0.031 4.288 4.320 -0.002 0.000 0.196 49 K C 1.734 178.390 176.600 0.093 0.000 1.038 49 K CA 0.889 57.215 56.287 0.064 0.000 0.986 49 K CB 0.283 32.786 32.500 0.005 0.000 0.782 49 K HN -0.024 nan 8.250 nan 0.000 0.485 50 T N 0.683 115.285 114.554 0.079 0.000 2.976 50 T HA -0.008 4.341 4.350 -0.002 0.000 0.257 50 T C 1.366 176.109 174.700 0.071 0.000 1.051 50 T CA 0.467 62.605 62.100 0.064 0.000 1.141 50 T CB 0.068 68.959 68.868 0.039 0.000 0.881 50 T HN 0.019 nan 8.240 nan 0.000 0.461 51 L N 0.923 122.198 121.223 0.087 0.000 2.056 51 L HA -0.035 4.304 4.340 -0.002 0.000 0.207 51 L C 2.363 179.284 176.870 0.084 0.000 1.078 51 L CA 1.583 56.469 54.840 0.076 0.000 0.749 51 L CB -1.077 41.040 42.059 0.096 0.000 0.901 51 L HN 0.393 nan 8.230 nan 0.000 0.433 52 H N 0.339 119.429 119.070 0.032 0.000 2.267 52 H HA -0.185 4.370 4.556 -0.002 0.000 0.297 52 H C 1.192 176.527 175.328 0.012 0.000 1.080 52 H CA 2.097 58.156 56.048 0.020 0.000 1.278 52 H CB 0.120 29.890 29.762 0.013 0.000 1.365 52 H HN 0.287 nan 8.280 nan 0.000 0.489 53 D N 0.294 120.802 120.400 0.179 0.000 2.378 53 D HA -0.069 4.570 4.640 -0.002 0.000 0.222 53 D C 2.128 178.439 176.300 0.019 0.000 0.980 53 D CA 0.536 54.599 54.000 0.104 0.000 0.907 53 D CB -0.111 40.760 40.800 0.117 0.000 0.899 53 D HN 0.583 nan 8.370 nan 0.000 0.527 54 Q N -0.422 119.380 119.800 0.004 0.000 2.259 54 Q HA 0.149 4.488 4.340 -0.002 0.000 0.201 54 Q C 2.168 178.143 176.000 -0.043 0.000 0.938 54 Q CA 0.063 55.858 55.803 -0.014 0.000 0.872 54 Q CB 0.336 29.072 28.738 -0.004 0.000 0.971 54 Q HN 0.239 nan 8.270 nan 0.000 0.494 55 L N 0.365 121.542 121.223 -0.078 0.000 2.141 55 L HA -0.156 4.183 4.340 -0.002 0.000 0.209 55 L C 2.061 178.850 176.870 -0.135 0.000 1.094 55 L CA 0.653 55.430 54.840 -0.105 0.000 0.763 55 L CB 0.010 41.989 42.059 -0.135 0.000 0.908 55 L HN 0.103 nan 8.230 nan 0.000 0.437 56 V N -0.021 119.779 119.914 -0.191 0.000 2.343 56 V HA -0.323 3.796 4.120 -0.002 0.000 0.247 56 V C 2.378 178.434 176.094 -0.064 0.000 1.051 56 V CA 1.666 63.879 62.300 -0.145 0.000 1.036 56 V CB -0.422 31.326 31.823 -0.125 0.000 0.654 56 V HN 0.370 nan 8.190 nan 0.000 0.451 57 L N 0.205 121.401 121.223 -0.044 0.000 2.042 57 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 57 L C 2.734 179.593 176.870 -0.019 0.000 1.076 57 L CA 1.772 56.599 54.840 -0.022 0.000 0.749 57 L CB -0.796 41.255 42.059 -0.013 0.000 0.893 57 L HN 0.387 nan 8.230 nan 0.000 0.432 58 A N -0.296 122.510 122.820 -0.023 0.000 1.972 58 A HA -0.133 4.186 4.320 -0.002 0.000 0.219 58 A C 2.479 180.056 177.584 -0.011 0.000 1.169 58 A CA 1.648 53.677 52.037 -0.013 0.000 0.635 58 A CB -0.561 18.433 19.000 -0.010 0.000 0.810 58 A HN 0.431 nan 8.150 nan 0.000 0.446 59 A N -0.471 122.335 122.820 -0.023 0.000 1.929 59 A HA -0.089 4.230 4.320 -0.002 0.000 0.216 59 A C 1.917 179.495 177.584 -0.009 0.000 1.176 59 A CA 1.361 53.387 52.037 -0.017 0.000 0.628 59 A CB -0.360 18.620 19.000 -0.034 0.000 0.816 59 A HN 0.561 nan 8.150 nan 0.000 0.444 60 E N -0.128 120.065 120.200 -0.011 0.000 2.285 60 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 60 E C 1.321 177.921 176.600 0.001 0.000 0.997 60 E CA 1.125 57.522 56.400 -0.004 0.000 0.845 60 E CB -0.057 29.641 29.700 -0.003 0.000 0.782 60 E HN 0.841 nan 8.360 nan 0.000 0.491 61 K N 0.612 121.012 120.400 0.000 0.000 2.437 61 K HA 0.151 4.470 4.320 -0.002 0.000 0.198 61 K C 0.366 176.970 176.600 0.006 0.000 1.024 61 K CA -0.078 56.211 56.287 0.003 0.000 1.148 61 K CB 0.025 32.527 32.500 0.002 0.000 0.860 61 K HN -0.055 nan 8.250 nan 0.000 0.515 62 L N 1.952 123.179 121.223 0.006 0.000 2.397 62 L HA 0.185 4.524 4.340 -0.002 0.000 0.271 62 L C 0.530 177.406 176.870 0.010 0.000 1.148 62 L CA -0.344 54.501 54.840 0.009 0.000 0.825 62 L CB 0.773 42.837 42.059 0.010 0.000 1.117 62 L HN 0.214 nan 8.230 nan 0.000 0.456 63 E N 0.690 120.897 120.200 0.011 0.000 2.803 63 E HA 0.106 4.455 4.350 -0.002 0.000 0.250 63 E C 0.385 176.993 176.600 0.014 0.000 1.102 63 E CA -0.375 56.032 56.400 0.012 0.000 1.017 63 E CB 0.716 30.423 29.700 0.012 0.000 1.346 63 E HN 0.489 nan 8.360 nan 0.000 0.532 64 D N 0.154 120.564 120.400 0.016 0.000 2.097 64 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 64 D C 1.425 177.737 176.300 0.020 0.000 0.984 64 D CA 0.907 54.919 54.000 0.019 0.000 0.826 64 D CB 0.154 40.967 40.800 0.021 0.000 0.973 64 D HN 0.366 nan 8.370 nan 0.000 0.460 65 E N 1.065 121.275 120.200 0.016 0.000 2.070 65 E HA -0.173 4.176 4.350 -0.002 0.000 0.197 65 E C 1.660 178.265 176.600 0.009 0.000 1.004 65 E CA 0.945 57.351 56.400 0.010 0.000 0.805 65 E CB -0.179 29.524 29.700 0.005 0.000 0.744 65 E HN 0.392 nan 8.360 nan 0.000 0.451 66 D N 0.023 120.430 120.400 0.011 0.000 2.144 66 D HA -0.111 4.528 4.640 -0.002 0.000 0.200 66 D C 2.051 178.360 176.300 0.015 0.000 0.978 66 D CA 0.706 54.713 54.000 0.012 0.000 0.833 66 D CB -0.198 40.610 40.800 0.014 0.000 0.961 66 D HN 0.134 nan 8.370 nan 0.000 0.470 67 R N 0.697 121.207 120.500 0.017 0.000 2.115 67 R HA -0.003 4.336 4.340 -0.002 0.000 0.226 67 R C 2.246 178.561 176.300 0.025 0.000 1.100 67 R CA 0.658 56.770 56.100 0.019 0.000 0.980 67 R CB 0.114 30.426 30.300 0.019 0.000 0.875 67 R HN 0.149 nan 8.270 nan 0.000 0.445 68 K N 0.162 120.580 120.400 0.031 0.000 2.057 68 K HA -0.115 4.204 4.320 -0.002 0.000 0.207 68 K C 2.159 178.786 176.600 0.046 0.000 1.049 68 K CA 1.130 57.444 56.287 0.046 0.000 0.931 68 K CB -0.055 32.477 32.500 0.054 0.000 0.714 68 K HN 0.094 nan 8.250 nan 0.000 0.440 69 R N 0.492 121.007 120.500 0.025 0.000 2.080 69 R HA -0.140 4.199 4.340 -0.002 0.000 0.236 69 R C 2.441 178.749 176.300 0.014 0.000 1.137 69 R CA 1.388 57.499 56.100 0.018 0.000 0.943 69 R CB -0.499 29.805 30.300 0.006 0.000 0.846 69 R HN 0.208 nan 8.270 nan 0.000 0.431 70 A N 1.212 124.039 122.820 0.011 0.000 1.915 70 A HA -0.281 4.038 4.320 -0.002 0.000 0.220 70 A C 2.367 179.944 177.584 -0.013 0.000 1.198 70 A CA 2.236 54.273 52.037 0.000 0.000 0.647 70 A CB -0.861 18.144 19.000 0.008 0.000 0.825 70 A HN 0.491 nan 8.150 nan 0.000 0.456 71 A N -1.140 121.686 122.820 0.010 0.000 1.877 71 A HA -0.223 4.096 4.320 -0.002 0.000 0.216 71 A C 2.157 179.753 177.584 0.020 0.000 1.186 71 A CA 1.748 53.797 52.037 0.019 0.000 0.620 71 A CB -0.629 18.399 19.000 0.047 0.000 0.822 71 A HN 0.682 nan 8.150 nan 0.000 0.443 72 Q N -0.960 118.870 119.800 0.050 0.000 2.050 72 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 72 Q C 2.149 178.093 176.000 -0.093 0.000 0.980 72 Q CA 1.528 57.383 55.803 0.087 0.000 0.840 72 Q CB -0.445 28.404 28.738 0.186 0.000 0.898 72 Q HN 0.486 nan 8.270 nan 0.000 0.424 73 V N 0.738 120.583 119.914 -0.115 0.000 2.626 73 V HA -0.199 3.920 4.120 -0.002 0.000 0.252 73 V C 2.017 177.909 176.094 -0.338 0.000 1.067 73 V CA 1.736 63.902 62.300 -0.223 0.000 1.081 73 V CB -0.487 31.278 31.823 -0.097 0.000 0.686 73 V HN 0.402 nan 8.190 nan 0.000 0.468 74 A N -0.570 122.119 122.820 -0.218 0.000 1.933 74 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 74 A C 2.190 179.642 177.584 -0.221 0.000 1.175 74 A CA 2.223 54.125 52.037 -0.225 0.000 0.628 74 A CB -0.460 18.462 19.000 -0.130 0.000 0.814 74 A HN 0.565 nan 8.150 nan 0.000 0.444 75 M N -0.712 118.791 119.600 -0.161 0.000 2.175 75 M HA -0.034 4.445 4.480 -0.002 0.000 0.264 75 M C 1.986 178.176 176.300 -0.184 0.000 1.063 75 M CA 1.313 56.558 55.300 -0.092 0.000 1.119 75 M CB -0.403 32.214 32.600 0.029 0.000 1.377 75 M HN 0.396 nan 8.290 nan 0.000 0.415 76 I N -0.597 119.723 120.570 -0.418 0.000 2.252 76 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 76 I C 2.224 178.018 176.117 -0.538 0.000 1.102 76 I CA 1.210 62.217 61.300 -0.489 0.000 1.385 76 I CB -0.833 36.783 38.000 -0.639 0.000 1.064 76 I HN 0.284 nan 8.210 nan 0.000 0.414 77 T N 1.044 115.095 114.554 -0.838 0.000 2.684 77 T HA -0.154 4.195 4.350 -0.002 0.000 0.267 77 T C 1.728 176.183 174.700 -0.409 0.000 1.036 77 T CA 1.586 63.194 62.100 -0.820 0.000 1.148 77 T CB -0.340 68.111 68.868 -0.695 0.000 0.863 77 T HN 0.296 nan 8.240 nan 0.000 0.436 78 N N 0.794 119.316 118.700 -0.297 0.000 2.084 78 N HA -0.029 4.710 4.740 -0.002 0.000 0.190 78 N C 1.543 176.997 175.510 -0.093 0.000 1.030 78 N CA 0.869 53.771 53.050 -0.246 0.000 0.849 78 N CB -0.715 37.733 38.487 -0.065 0.000 1.012 78 N HN 0.392 nan 8.380 nan 0.000 0.423 79 F N 1.630 121.553 119.950 -0.045 0.000 2.069 79 F HA -0.173 4.353 4.527 -0.002 0.000 0.298 79 F C 2.331 178.154 175.800 0.038 0.000 1.113 79 F CA 1.104 59.154 58.000 0.082 0.000 1.214 79 F CB -0.612 38.402 39.000 0.023 0.000 0.978 79 F HN -0.129 nan 8.300 nan 0.000 0.474 80 V N 0.543 120.543 119.914 0.143 0.000 2.490 80 V HA -0.145 3.974 4.120 -0.002 0.000 0.250 80 V C 2.369 178.411 176.094 -0.087 0.000 1.061 80 V CA 2.123 64.466 62.300 0.071 0.000 1.064 80 V CB -1.146 30.800 31.823 0.204 0.000 0.670 80 V HN 0.559 nan 8.190 nan 0.000 0.461 81 G N -0.887 107.794 108.800 -0.198 0.000 2.414 81 G HA2 -0.221 3.739 3.960 -0.002 0.000 0.215 81 G HA3 -0.221 3.739 3.960 -0.002 0.000 0.215 81 G C 1.381 176.109 174.900 -0.287 0.000 1.188 81 G CA 1.049 45.967 45.100 -0.304 0.000 0.783 81 G HN 0.507 nan 8.290 nan 0.000 0.537 82 F N 0.840 120.682 119.950 -0.179 0.000 2.134 82 F HA 0.042 4.568 4.527 -0.001 0.000 0.299 82 F C 2.718 178.431 175.800 -0.146 0.000 1.097 82 F CA 1.259 59.173 58.000 -0.143 0.000 1.264 82 F CB -0.556 38.357 39.000 -0.145 0.000 1.001 82 F HN 0.002 nan 8.300 nan 0.000 0.479 83 R N 0.040 120.478 120.500 -0.104 0.000 2.094 83 R HA -0.189 4.150 4.340 -0.002 0.000 0.239 83 R C 2.073 178.332 176.300 -0.068 0.000 1.137 83 R CA 1.822 57.820 56.100 -0.171 0.000 0.943 83 R CB -0.314 29.810 30.300 -0.294 0.000 0.850 83 R HN 0.114 nan 8.270 nan 0.000 0.433 84 M N -1.529 118.039 119.600 -0.053 0.000 2.388 84 M HA -0.043 4.436 4.480 -0.002 0.000 0.265 84 M C 1.790 178.048 176.300 -0.071 0.000 1.088 84 M CA 0.951 56.219 55.300 -0.052 0.000 1.134 84 M CB -0.637 31.943 32.600 -0.032 0.000 1.384 84 M HN 0.175 nan 8.290 nan 0.000 0.447 85 Y N 1.727 121.931 120.300 -0.160 0.000 2.242 85 Y HA -0.207 4.342 4.550 -0.002 0.000 0.291 85 Y C 2.539 178.375 175.900 -0.108 0.000 1.137 85 Y CA 1.882 59.875 58.100 -0.178 0.000 1.181 85 Y CB -0.153 38.182 38.460 -0.207 0.000 0.989 85 Y HN 0.155 nan 8.280 nan 0.000 0.527 86 K N -0.513 119.889 120.400 0.003 0.000 2.032 86 K HA -0.207 4.112 4.320 -0.002 0.000 0.209 86 K C 1.912 178.430 176.600 -0.135 0.000 1.048 86 K CA 1.896 58.151 56.287 -0.052 0.000 0.927 86 K CB -0.167 32.337 32.500 0.006 0.000 0.712 86 K HN 0.256 nan 8.250 nan 0.000 0.441 87 M N 0.753 120.282 119.600 -0.119 0.000 2.279 87 M HA -0.136 4.343 4.480 -0.002 0.000 0.264 87 M C 2.154 178.348 176.300 -0.177 0.000 1.062 87 M CA 0.901 56.129 55.300 -0.121 0.000 1.099 87 M CB -0.919 31.628 32.600 -0.088 0.000 1.394 87 M HN 0.230 nan 8.290 nan 0.000 0.426 88 L N 1.272 122.329 121.223 -0.277 0.000 2.093 88 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 88 L C 1.821 178.497 176.870 -0.323 0.000 1.085 88 L CA 1.826 56.450 54.840 -0.360 0.000 0.755 88 L CB -0.871 40.855 42.059 -0.555 0.000 0.904 88 L HN 0.261 nan 8.230 nan 0.000 0.435 89 N N -0.388 118.094 118.700 -0.363 0.000 2.409 89 N HA -0.102 4.637 4.740 -0.002 0.000 0.179 89 N C 1.612 177.028 175.510 -0.158 0.000 1.032 89 N CA 0.871 53.761 53.050 -0.268 0.000 0.898 89 N CB 0.077 38.391 38.487 -0.288 0.000 0.971 89 N HN 0.564 nan 8.380 nan 0.000 0.441 90 E N 0.741 120.857 120.200 -0.139 0.000 2.112 90 E HA 0.057 4.406 4.350 -0.002 0.000 0.190 90 E C 1.813 178.366 176.600 -0.078 0.000 0.979 90 E CA 0.647 56.993 56.400 -0.090 0.000 0.814 90 E CB 0.059 29.715 29.700 -0.075 0.000 0.762 90 E HN 0.274 nan 8.360 nan 0.000 0.460 91 A N 0.986 123.752 122.820 -0.091 0.000 1.968 91 A HA 0.186 4.505 4.320 -0.002 0.000 0.217 91 A C 1.157 178.703 177.584 -0.063 0.000 1.169 91 A CA 1.191 53.186 52.037 -0.069 0.000 0.638 91 A CB -0.306 18.652 19.000 -0.069 0.000 0.812 91 A HN 0.302 nan 8.150 nan 0.000 0.446 92 G N -1.767 106.981 108.800 -0.087 0.000 2.906 92 G HA2 0.195 4.154 3.960 -0.002 0.000 0.686 92 G HA3 0.195 4.154 3.960 -0.002 0.000 0.686 92 G C 0.092 174.948 174.900 -0.073 0.000 1.170 92 G CA 0.267 45.325 45.100 -0.070 0.000 0.775 92 G HN 1.346 nan 8.290 nan 0.000 0.630 93 S N 0.379 116.036 115.700 -0.071 0.000 2.733 93 S HA 0.654 5.123 4.470 -0.002 0.000 0.247 93 S C 1.353 175.951 174.600 -0.004 0.000 1.043 93 S CA 0.780 58.948 58.200 -0.054 0.000 1.066 93 S CB 0.833 63.966 63.200 -0.112 0.000 1.045 93 S HN 2.870 nan 8.310 nan 0.000 0.586 94 G N 0.771 109.569 108.800 -0.004 0.000 2.692 94 G HA2 0.265 4.224 3.960 -0.002 0.000 0.686 94 G HA3 0.265 4.224 3.960 -0.002 0.000 0.686 94 G C 0.654 175.559 174.900 0.008 0.000 1.243 94 G CA -0.463 44.643 45.100 0.010 0.000 0.782 94 G HN 1.042 nan 8.290 nan 0.000 0.625 95 A N 1.030 123.855 122.820 0.009 0.000 1.883 95 A HA 0.065 4.384 4.320 -0.002 0.000 0.217 95 A C 2.946 180.536 177.584 0.010 0.000 1.186 95 A CA 3.387 55.430 52.037 0.010 0.000 0.624 95 A CB -1.015 17.992 19.000 0.010 0.000 0.822 95 A HN 2.492 nan 8.150 nan 0.000 0.444 96 S N -1.592 114.111 115.700 0.006 0.000 2.387 96 S HA 0.262 4.731 4.470 -0.002 0.000 0.230 96 S C 1.320 175.918 174.600 -0.004 0.000 1.035 96 S CA 1.851 60.047 58.200 -0.006 0.000 1.014 96 S CB -0.638 62.559 63.200 -0.005 0.000 0.836 96 S HN 1.913 nan 8.310 nan 0.000 0.466 97 G N 0.530 109.339 108.800 0.016 0.000 2.480 97 G HA2 0.531 4.490 3.960 -0.002 0.000 0.109 97 G HA3 0.531 4.490 3.960 -0.002 0.000 0.109 97 G C -1.077 173.851 174.900 0.046 0.000 1.172 97 G CA -0.169 44.949 45.100 0.030 0.000 1.091 97 G HN 1.456 nan 8.290 nan 0.000 0.464 98 A N -0.973 121.903 122.820 0.093 0.000 2.599 98 A HA 0.822 5.141 4.320 -0.002 0.000 0.294 98 A C -1.643 176.063 177.584 0.203 0.000 1.055 98 A CA 0.343 52.444 52.037 0.107 0.000 0.683 98 A CB 1.227 20.230 19.000 0.005 0.000 1.278 98 A HN 2.196 nan 8.150 nan 0.000 0.412 99 I N 1.142 121.854 120.570 0.237 0.000 2.710 99 I HA 0.688 4.857 4.170 -0.002 0.000 0.290 99 I C -2.151 174.162 176.117 0.327 0.000 1.318 99 I CA -0.695 60.768 61.300 0.271 0.000 1.045 99 I CB 1.647 39.841 38.000 0.323 0.000 1.307 99 I HN 0.871 nan 8.210 nan 0.000 0.424 100 L N 6.059 127.422 121.223 0.233 0.000 2.431 100 L HA 0.588 4.927 4.340 -0.002 0.000 0.266 100 L C -1.133 175.776 176.870 0.065 0.000 0.978 100 L CA -0.251 54.716 54.840 0.211 0.000 0.822 100 L CB 2.214 44.339 42.059 0.109 0.000 1.310 100 L HN 0.604 nan 8.230 nan 0.000 0.409 101 S N 5.042 120.749 115.700 0.011 0.000 2.474 101 S HA 0.459 4.928 4.470 -0.002 0.000 0.320 101 S C -1.961 172.518 174.600 -0.201 0.000 1.067 101 S CA -1.552 56.444 58.200 -0.340 0.000 1.127 101 S CB 1.093 64.041 63.200 -0.420 0.000 0.971 101 S HN 0.530 nan 8.310 nan 0.000 0.472 102 P HA -0.027 nan 4.420 nan 0.000 0.216 102 P C -1.736 175.491 177.300 -0.122 0.000 1.150 102 P CA 0.987 63.960 63.100 -0.213 0.000 0.837 102 P CB -0.617 30.874 31.700 -0.347 0.000 0.786 103 P HA -0.135 nan 4.420 nan 0.000 0.215 103 P C 1.541 178.926 177.300 0.141 0.000 1.157 103 P CA 1.858 64.957 63.100 -0.002 0.000 0.863 103 P CB -0.644 31.046 31.700 -0.016 0.000 0.787 104 A N 0.056 122.954 122.820 0.129 0.000 1.892 104 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 104 A C 2.191 179.872 177.584 0.161 0.000 1.188 104 A CA 1.498 53.693 52.037 0.263 0.000 0.631 104 A CB -1.783 17.336 19.000 0.198 0.000 0.822 104 A HN 0.111 nan 8.150 nan 0.000 0.447 105 L N -1.495 119.789 121.223 0.102 0.000 2.017 105 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 105 L C 2.322 179.218 176.870 0.043 0.000 1.073 105 L CA 2.278 57.170 54.840 0.086 0.000 0.745 105 L CB -1.277 40.838 42.059 0.093 0.000 0.894 105 L HN 0.527 nan 8.230 nan 0.000 0.432 106 F N 0.448 120.328 119.950 -0.116 0.000 2.102 106 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 106 F C 2.294 177.934 175.800 -0.266 0.000 1.105 106 F CA 1.687 59.591 58.000 -0.160 0.000 1.239 106 F CB -0.361 38.548 39.000 -0.151 0.000 0.991 106 F HN 0.178 nan 8.300 nan 0.000 0.474 107 G N -1.258 107.341 108.800 -0.334 0.000 2.448 107 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 107 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 107 G C 1.539 175.756 174.900 -1.139 0.000 1.127 107 G CA 1.319 45.803 45.100 -1.028 0.000 0.766 107 G HN 0.377 nan 8.290 nan 0.000 0.552 108 T N 1.172 115.380 114.554 -0.577 0.000 2.812 108 T HA 0.031 4.380 4.350 -0.002 0.000 0.264 108 T C 2.411 176.926 174.700 -0.309 0.000 1.042 108 T CA 0.669 62.572 62.100 -0.328 0.000 1.140 108 T CB -0.142 68.700 68.868 -0.043 0.000 0.870 108 T HN 0.149 nan 8.240 nan 0.000 0.445 109 L N 0.765 121.837 121.223 -0.251 0.000 1.976 109 L HA -0.075 4.264 4.340 -0.002 0.000 0.209 109 L C 2.695 179.440 176.870 -0.208 0.000 1.071 109 L CA 1.026 55.757 54.840 -0.182 0.000 0.746 109 L CB -0.795 41.141 42.059 -0.205 0.000 0.890 109 L HN 0.115 nan 8.230 nan 0.000 0.432 110 V N -0.656 118.994 119.914 -0.441 0.000 2.453 110 V HA -0.299 3.820 4.120 -0.002 0.000 0.252 110 V C 2.603 178.592 176.094 -0.175 0.000 1.068 110 V CA 1.919 63.991 62.300 -0.379 0.000 1.070 110 V CB -0.469 30.973 31.823 -0.636 0.000 0.664 110 V HN 0.380 nan 8.190 nan 0.000 0.461 111 S N -0.402 115.139 115.700 -0.265 0.000 2.348 111 S HA -0.158 4.311 4.470 -0.002 0.000 0.221 111 S C 1.754 176.327 174.600 -0.046 0.000 1.033 111 S CA 1.647 59.734 58.200 -0.189 0.000 1.010 111 S CB -0.446 62.609 63.200 -0.242 0.000 0.891 111 S HN 0.533 nan 8.310 nan 0.000 0.442 112 F N 0.431 120.295 119.950 -0.144 0.000 2.202 112 F HA -0.100 4.426 4.527 -0.001 0.000 0.301 112 F C 2.168 177.971 175.800 0.004 0.000 1.082 112 F CA 1.085 59.045 58.000 -0.067 0.000 1.313 112 F CB -0.591 38.307 39.000 -0.170 0.000 1.024 112 F HN 0.259 nan 8.300 nan 0.000 0.495 113 Y N 0.400 120.727 120.300 0.044 0.000 2.114 113 Y HA -0.223 4.326 4.550 -0.001 0.000 0.284 113 Y C 2.127 178.042 175.900 0.026 0.000 1.143 113 Y CA 1.546 59.646 58.100 -0.000 0.000 1.135 113 Y CB -0.769 37.639 38.460 -0.087 0.000 0.980 113 Y HN -0.012 nan 8.280 nan 0.000 0.499 114 L N -0.128 121.065 121.223 -0.050 0.000 2.081 114 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 114 L C 2.386 179.255 176.870 -0.002 0.000 1.080 114 L CA 1.560 56.342 54.840 -0.098 0.000 0.754 114 L CB -0.929 41.101 42.059 -0.050 0.000 0.893 114 L HN 0.475 nan 8.230 nan 0.000 0.433 115 G N -1.466 107.401 108.800 0.110 0.000 3.088 115 G HA2 0.011 3.970 3.960 -0.002 0.000 0.212 115 G HA3 0.011 3.970 3.960 -0.002 0.000 0.212 115 G C 0.456 175.287 174.900 -0.115 0.000 1.173 115 G CA 0.513 45.583 45.100 -0.051 0.000 0.779 115 G HN 0.394 nan 8.290 nan 0.000 0.540 116 S N -0.546 115.084 115.700 -0.116 0.000 2.568 116 S HA 0.804 5.273 4.470 -0.002 0.000 0.302 116 S C -0.613 173.911 174.600 -0.126 0.000 1.082 116 S CA -0.824 57.320 58.200 -0.093 0.000 1.009 116 S CB 2.207 65.388 63.200 -0.031 0.000 1.069 116 S HN 0.016 nan 8.310 nan 0.000 0.500 117 L N 1.077 122.260 121.223 -0.066 0.000 2.303 117 L HA 0.566 4.905 4.340 -0.002 0.000 0.266 117 L C -0.542 176.321 176.870 -0.012 0.000 1.011 117 L CA -1.221 53.591 54.840 -0.047 0.000 0.818 117 L CB 1.104 43.144 42.059 -0.032 0.000 1.326 117 L HN 0.596 nan 8.230 nan 0.000 0.435 118 D N 1.569 121.973 120.400 0.006 0.000 2.423 118 D HA 0.057 4.696 4.640 -0.002 0.000 0.238 118 D C -1.385 174.925 176.300 0.017 0.000 1.142 118 D CA -0.696 53.320 54.000 0.027 0.000 0.884 118 D CB 0.633 41.455 40.800 0.036 0.000 1.199 118 D HN 0.321 nan 8.370 nan 0.000 0.438 119 P HA -0.081 nan 4.420 nan 0.000 0.222 119 P C 1.006 178.330 177.300 0.040 0.000 1.153 119 P CA 0.792 63.910 63.100 0.031 0.000 0.798 119 P CB 0.199 31.913 31.700 0.023 0.000 0.796 120 T N 0.751 115.325 114.554 0.033 0.000 2.653 120 T HA -0.197 4.152 4.350 -0.002 0.000 0.268 120 T C 2.055 176.804 174.700 0.081 0.000 1.035 120 T CA 2.027 64.151 62.100 0.040 0.000 1.154 120 T CB -0.909 67.976 68.868 0.028 0.000 0.862 120 T HN 0.140 nan 8.240 nan 0.000 0.441 121 A N 1.990 124.863 122.820 0.089 0.000 1.877 121 A HA -0.133 4.186 4.320 -0.002 0.000 0.216 121 A C 2.631 180.377 177.584 0.269 0.000 1.186 121 A CA 2.351 54.499 52.037 0.185 0.000 0.620 121 A CB -1.011 18.019 19.000 0.050 0.000 0.822 121 A HN 0.636 nan 8.150 nan 0.000 0.443 122 S N -0.345 115.454 115.700 0.164 0.000 2.382 122 S HA -0.256 4.213 4.470 -0.002 0.000 0.228 122 S C 1.966 176.622 174.600 0.094 0.000 1.027 122 S CA 1.466 59.745 58.200 0.132 0.000 0.991 122 S CB -0.568 62.690 63.200 0.096 0.000 0.823 122 S HN 0.691 nan 8.310 nan 0.000 0.469 123 Q N 0.903 120.750 119.800 0.080 0.000 2.046 123 Q HA 0.103 4.442 4.340 -0.002 0.000 0.200 123 Q C 2.324 178.353 176.000 0.048 0.000 0.975 123 Q CA 1.364 57.199 55.803 0.054 0.000 0.836 123 Q CB -0.453 28.308 28.738 0.039 0.000 0.896 123 Q HN 0.511 nan 8.270 nan 0.000 0.428 124 L N 0.534 121.799 121.223 0.071 0.000 2.079 124 L HA -0.259 4.080 4.340 -0.002 0.000 0.210 124 L C 2.618 179.467 176.870 -0.035 0.000 1.081 124 L CA 1.283 56.150 54.840 0.045 0.000 0.752 124 L CB -0.287 41.856 42.059 0.139 0.000 0.896 124 L HN 0.337 nan 8.230 nan 0.000 0.433 125 Q N -0.712 119.064 119.800 -0.040 0.000 2.079 125 Q HA -0.177 4.162 4.340 -0.002 0.000 0.200 125 Q C 2.035 178.005 176.000 -0.051 0.000 0.974 125 Q CA 1.957 57.676 55.803 -0.139 0.000 0.840 125 Q CB 0.105 28.794 28.738 -0.081 0.000 0.898 125 Q HN 0.436 nan 8.270 nan 0.000 0.430 126 T N 1.236 115.794 114.554 0.007 0.000 2.833 126 T HA -0.141 4.208 4.350 -0.002 0.000 0.269 126 T C 1.560 176.285 174.700 0.042 0.000 1.054 126 T CA 0.855 62.971 62.100 0.028 0.000 1.135 126 T CB -0.152 68.741 68.868 0.042 0.000 0.869 126 T HN 0.186 nan 8.240 nan 0.000 0.466 127 L N 0.703 121.951 121.223 0.042 0.000 2.275 127 L HA 0.189 4.529 4.340 -0.002 0.000 0.215 127 L C 1.441 178.392 176.870 0.135 0.000 1.119 127 L CA 1.389 56.278 54.840 0.082 0.000 0.790 127 L CB -0.449 41.637 42.059 0.046 0.000 0.919 127 L HN 0.261 nan 8.230 nan 0.000 0.443 128 L N -0.742 120.519 121.223 0.063 0.000 2.728 128 L HA 0.168 4.507 4.340 -0.002 0.000 0.235 128 L C 0.506 177.325 176.870 -0.085 0.000 1.197 128 L CA 0.053 54.941 54.840 0.079 0.000 0.992 128 L CB -0.501 41.583 42.059 0.041 0.000 1.263 128 L HN 0.179 nan 8.230 nan 0.000 0.484 129 D N 0.593 120.929 120.400 -0.108 0.000 2.870 129 D HA -0.165 4.474 4.640 -0.002 0.000 0.228 129 D C -0.611 175.627 176.300 -0.103 0.000 1.147 129 D CA 0.495 54.329 54.000 -0.277 0.000 0.757 129 D CB -0.793 39.402 40.800 -1.007 0.000 1.091 129 D HN 0.049 nan 8.370 nan 0.000 0.429 130 V N 1.927 121.827 119.914 -0.023 0.000 2.325 130 V HA 0.419 4.538 4.120 -0.002 0.000 0.280 130 V C -1.878 174.269 176.094 0.088 0.000 1.016 130 V CA -1.242 61.104 62.300 0.076 0.000 0.818 130 V CB 1.763 33.592 31.823 0.010 0.000 1.019 130 V HN 0.045 nan 8.190 nan 0.000 0.434 131 P HA 0.166 nan 4.420 nan 0.000 0.271 131 P C -0.463 176.908 177.300 0.119 0.000 1.216 131 P CA 0.050 63.203 63.100 0.090 0.000 0.771 131 P CB 1.358 33.099 31.700 0.068 0.000 0.864 132 V N 4.860 124.832 119.914 0.098 0.000 2.385 132 V HA 0.156 4.275 4.120 -0.002 0.000 0.269 132 V C 0.857 177.001 176.094 0.083 0.000 1.043 132 V CA -0.320 62.046 62.300 0.110 0.000 0.906 132 V CB 0.376 32.261 31.823 0.103 0.000 0.995 132 V HN 0.411 nan 8.190 nan 0.000 0.467 133 K N 4.659 125.108 120.400 0.081 0.000 2.250 133 K HA 0.289 4.608 4.320 -0.002 0.000 0.285 133 K C 0.112 176.741 176.600 0.049 0.000 1.097 133 K CA -0.241 56.077 56.287 0.052 0.000 0.913 133 K CB 0.766 33.287 32.500 0.034 0.000 1.179 133 K HN 0.660 nan 8.250 nan 0.000 0.462 134 E N 1.153 121.378 120.200 0.042 0.000 2.652 134 E HA -0.111 4.238 4.350 -0.002 0.000 0.255 134 E C 0.736 177.355 176.600 0.033 0.000 0.952 134 E CA 0.710 57.133 56.400 0.038 0.000 0.947 134 E CB 0.148 29.866 29.700 0.030 0.000 0.912 134 E HN 0.869 nan 8.360 nan 0.000 0.489 135 G N 3.452 112.273 108.800 0.035 0.000 2.291 135 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.271 135 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.271 135 G C -0.644 174.275 174.900 0.031 0.000 1.099 135 G CA 0.178 45.295 45.100 0.028 0.000 0.919 135 G HN 0.605 nan 8.290 nan 0.000 0.496 136 D N -1.620 118.807 120.400 0.044 0.000 2.764 136 D HA 0.428 5.067 4.640 -0.002 0.000 0.227 136 D C 0.933 177.278 176.300 0.074 0.000 1.347 136 D CA 0.303 54.333 54.000 0.049 0.000 0.953 136 D CB 0.672 41.498 40.800 0.045 0.000 1.476 136 D HN 0.213 nan 8.370 nan 0.000 0.585 137 c N 2.334 120.973 118.600 0.066 0.000 2.475 137 c HA -0.012 4.557 4.570 -0.002 0.000 0.279 137 c C 2.309 176.490 174.090 0.151 0.000 1.322 137 c CA 1.603 57.980 56.329 0.080 0.000 1.734 137 c CB -0.946 41.580 42.510 0.027 0.000 2.005 137 c HN 0.778 nan 8.230 nan 0.000 0.495 138 T N -1.173 113.456 114.554 0.125 0.000 3.194 138 T HA 0.026 4.375 4.350 -0.002 0.000 0.251 138 T C 0.993 175.768 174.700 0.126 0.000 1.132 138 T CA 1.049 63.237 62.100 0.147 0.000 1.028 138 T CB -0.550 68.360 68.868 0.070 0.000 0.976 138 T HN 0.663 nan 8.240 nan 0.000 0.535 139 S N 0.364 116.166 115.700 0.169 0.000 2.588 139 S HA 0.424 4.893 4.470 -0.002 0.000 0.245 139 S C 0.192 175.082 174.600 0.483 0.000 1.021 139 S CA -0.991 57.346 58.200 0.229 0.000 1.006 139 S CB 0.092 63.355 63.200 0.104 0.000 0.830 139 S HN 0.195 nan 8.310 nan 0.000 0.468 140 R N 1.121 121.921 120.500 0.500 0.000 2.494 140 R HA 0.457 4.796 4.340 -0.002 0.000 0.305 140 R C -0.529 175.953 176.300 0.303 0.000 0.959 140 R CA -0.799 55.540 56.100 0.397 0.000 0.864 140 R CB 1.335 31.870 30.300 0.392 0.000 1.159 140 R HN 0.350 nan 8.270 nan 0.000 0.446 141 L N 2.184 123.419 121.223 0.020 0.000 2.525 141 L HA -0.047 4.292 4.340 -0.002 0.000 0.278 141 L C 0.812 177.642 176.870 -0.067 0.000 1.218 141 L CA 0.466 55.170 54.840 -0.228 0.000 0.878 141 L CB 0.257 42.046 42.059 -0.451 0.000 1.127 141 L HN 0.400 nan 8.230 nan 0.000 0.492 142 D N 2.994 123.199 120.400 -0.324 0.000 2.422 142 D HA 0.087 4.726 4.640 -0.002 0.000 0.227 142 D C 1.103 177.337 176.300 -0.109 0.000 1.190 142 D CA 0.092 53.779 54.000 -0.521 0.000 0.905 142 D CB 1.521 41.953 40.800 -0.615 0.000 1.034 142 D HN 0.657 nan 8.370 nan 0.000 0.507 143 G N 2.835 111.689 108.800 0.089 0.000 2.469 143 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.220 143 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.220 143 G C 1.247 176.111 174.900 -0.060 0.000 1.136 143 G CA 0.947 46.081 45.100 0.058 0.000 0.759 143 G HN 0.576 nan 8.290 nan 0.000 0.562 144 H N 0.232 119.316 119.070 0.023 0.000 2.326 144 H HA 0.088 4.643 4.556 -0.002 0.000 0.301 144 H C 2.641 177.970 175.328 0.003 0.000 1.081 144 H CA 1.544 57.604 56.048 0.020 0.000 1.334 144 H CB 0.049 29.834 29.762 0.038 0.000 1.385 144 H HN 0.293 nan 8.280 nan 0.000 0.504 145 K N 0.039 120.496 120.400 0.094 0.000 2.147 145 K HA -0.094 4.225 4.320 -0.002 0.000 0.205 145 K C 2.068 178.678 176.600 0.016 0.000 1.049 145 K CA 1.110 57.418 56.287 0.034 0.000 0.936 145 K CB 0.042 32.535 32.500 -0.012 0.000 0.722 145 K HN 0.079 nan 8.250 nan 0.000 0.446 146 V N 1.756 121.667 119.914 -0.006 0.000 2.283 146 V HA -0.210 3.909 4.120 -0.002 0.000 0.243 146 V C 2.160 178.279 176.094 0.043 0.000 1.039 146 V CA 1.513 63.817 62.300 0.005 0.000 1.016 146 V CB -0.383 31.413 31.823 -0.044 0.000 0.650 146 V HN 0.275 nan 8.190 nan 0.000 0.449 147 L N 0.193 121.427 121.223 0.018 0.000 2.191 147 L HA -0.149 4.190 4.340 -0.002 0.000 0.212 147 L C 2.702 179.628 176.870 0.092 0.000 1.103 147 L CA 1.298 56.175 54.840 0.062 0.000 0.769 147 L CB -0.861 41.220 42.059 0.037 0.000 0.908 147 L HN 0.383 nan 8.230 nan 0.000 0.438 148 A N 0.350 123.212 122.820 0.071 0.000 1.902 148 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 148 A C 2.547 180.167 177.584 0.059 0.000 1.181 148 A CA 1.812 53.888 52.037 0.065 0.000 0.623 148 A CB -0.559 18.475 19.000 0.057 0.000 0.818 148 A HN 0.396 nan 8.150 nan 0.000 0.443 149 A N -0.996 121.856 122.820 0.054 0.000 1.929 149 A HA 0.089 4.408 4.320 -0.002 0.000 0.216 149 A C 2.045 179.666 177.584 0.061 0.000 1.176 149 A CA 1.481 53.545 52.037 0.045 0.000 0.628 149 A CB -0.494 18.523 19.000 0.028 0.000 0.816 149 A HN 0.550 nan 8.150 nan 0.000 0.444 150 L N -0.397 120.885 121.223 0.099 0.000 2.275 150 L HA 0.007 4.346 4.340 -0.002 0.000 0.215 150 L C 2.310 179.270 176.870 0.150 0.000 1.119 150 L CA 1.845 56.768 54.840 0.138 0.000 0.790 150 L CB -0.453 41.737 42.059 0.219 0.000 0.919 150 L HN 0.459 nan 8.230 nan 0.000 0.443 151 R N -1.053 119.524 120.500 0.129 0.000 2.119 151 R HA 0.020 4.359 4.340 -0.002 0.000 0.222 151 R C 2.192 178.534 176.300 0.070 0.000 1.088 151 R CA 1.025 57.187 56.100 0.103 0.000 0.984 151 R CB -0.212 30.138 30.300 0.083 0.000 0.884 151 R HN 0.379 nan 8.270 nan 0.000 0.447 152 A N 0.627 123.482 122.820 0.058 0.000 1.933 152 A HA -0.114 4.205 4.320 -0.002 0.000 0.218 152 A C 2.177 179.790 177.584 0.049 0.000 1.175 152 A CA 1.569 53.630 52.037 0.041 0.000 0.628 152 A CB -0.721 18.298 19.000 0.032 0.000 0.814 152 A HN 0.320 nan 8.150 nan 0.000 0.444 153 V N -2.289 117.664 119.914 0.066 0.000 2.515 153 V HA -0.278 3.841 4.120 -0.002 0.000 0.250 153 V C 2.007 178.210 176.094 0.180 0.000 1.058 153 V CA 2.215 64.572 62.300 0.096 0.000 1.064 153 V CB -1.150 30.702 31.823 0.048 0.000 0.675 153 V HN 0.618 nan 8.190 nan 0.000 0.461 154 Q N 1.114 121.003 119.800 0.148 0.000 2.172 154 Q HA 0.053 4.392 4.340 -0.002 0.000 0.200 154 Q C 2.402 178.418 176.000 0.027 0.000 0.964 154 Q CA 1.455 57.327 55.803 0.114 0.000 0.855 154 Q CB -0.536 28.263 28.738 0.102 0.000 0.918 154 Q HN 0.756 nan 8.270 nan 0.000 0.444 155 G N 1.235 110.043 108.800 0.013 0.000 2.421 155 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 155 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 155 G C 1.398 176.282 174.900 -0.028 0.000 1.171 155 G CA 0.557 45.639 45.100 -0.030 0.000 0.775 155 G HN 0.178 nan 8.290 nan 0.000 0.543 156 L N -0.246 120.978 121.223 0.001 0.000 2.083 156 L HA -0.040 4.299 4.340 -0.002 0.000 0.209 156 L C 2.708 179.567 176.870 -0.018 0.000 1.083 156 L CA 0.412 55.252 54.840 0.001 0.000 0.752 156 L CB -0.482 41.588 42.059 0.018 0.000 0.899 156 L HN 0.209 nan 8.230 nan 0.000 0.433 157 L N 0.526 121.721 121.223 -0.048 0.000 2.089 157 L HA -0.134 4.205 4.340 -0.002 0.000 0.213 157 L C 0.980 177.820 176.870 -0.051 0.000 1.079 157 L CA 1.471 56.224 54.840 -0.145 0.000 0.758 157 L CB -0.142 41.699 42.059 -0.364 0.000 0.891 157 L HN 0.155 nan 8.230 nan 0.000 0.433 158 V N -2.026 117.871 119.914 -0.029 0.000 2.276 158 V HA 0.701 4.820 4.120 -0.002 0.000 0.268 158 V C -0.420 175.676 176.094 0.005 0.000 1.032 158 V CA 0.214 62.524 62.300 0.017 0.000 0.810 158 V CB 0.068 31.939 31.823 0.079 0.000 1.060 158 V HN 0.331 nan 8.190 nan 0.000 0.446 169 L N 1.124 122.273 121.223 -0.123 0.000 2.334 169 L HA 0.620 4.959 4.340 -0.002 0.000 0.276 169 L C -0.405 176.313 176.870 -0.253 0.000 1.014 169 L CA -0.500 54.192 54.840 -0.247 0.000 0.815 169 L CB 1.864 43.855 42.059 -0.113 0.000 1.268 169 L HN -0.034 nan 8.230 nan 0.000 0.428 170 L N 2.757 123.703 121.223 -0.461 0.000 2.464 170 L HA 0.601 4.940 4.340 -0.002 0.000 0.266 170 L C -0.864 175.785 176.870 -0.368 0.000 0.965 170 L CA -0.360 54.312 54.840 -0.280 0.000 0.833 170 L CB 2.164 44.067 42.059 -0.259 0.000 1.296 170 L HN 0.555 nan 8.230 nan 0.000 0.405 171 Q N 1.790 121.546 119.800 -0.073 0.000 2.289 171 Q HA 0.632 4.971 4.340 -0.002 0.000 0.270 171 Q C -1.711 174.359 176.000 0.117 0.000 1.038 171 Q CA -0.393 55.436 55.803 0.043 0.000 0.812 171 Q CB 2.555 31.444 28.738 0.251 0.000 1.300 171 Q HN 0.674 nan 8.270 nan 0.000 0.427 172 S N 3.437 119.225 115.700 0.147 0.000 2.542 172 S HA 0.657 5.126 4.470 -0.002 0.000 0.293 172 S C -0.742 174.028 174.600 0.284 0.000 1.089 172 S CA -0.562 57.791 58.200 0.256 0.000 0.961 172 S CB 1.095 64.572 63.200 0.462 0.000 1.062 172 S HN 0.553 nan 8.310 nan 0.000 0.483 173 I N 2.783 123.490 120.570 0.229 0.000 2.493 173 I HA 0.319 4.488 4.170 -0.002 0.000 0.279 173 I C -0.584 175.623 176.117 0.149 0.000 1.045 173 I CA -0.836 60.569 61.300 0.176 0.000 1.106 173 I CB 1.491 39.459 38.000 -0.053 0.000 1.216 173 I HN 0.424 nan 8.210 nan 0.000 0.459 174 V N 5.246 125.356 119.914 0.328 0.000 2.483 174 V HA 0.675 4.794 4.120 -0.002 0.000 0.295 174 V C -0.437 175.839 176.094 0.302 0.000 1.035 174 V CA -0.396 62.057 62.300 0.254 0.000 0.896 174 V CB 1.864 33.824 31.823 0.227 0.000 0.986 174 V HN 0.338 nan 8.190 nan 0.000 0.447 175 V N 4.700 124.722 119.914 0.179 0.000 2.459 175 V HA 0.790 4.909 4.120 -0.002 0.000 0.295 175 V C 0.884 177.016 176.094 0.064 0.000 1.029 175 V CA 0.185 62.550 62.300 0.109 0.000 0.874 175 V CB 1.568 33.346 31.823 -0.074 0.000 0.985 175 V HN 1.229 nan 8.190 nan 0.000 0.438 176 G N 4.213 113.056 108.800 0.072 0.000 2.370 176 G HA2 0.602 4.561 3.960 -0.002 0.000 0.317 176 G HA3 0.602 4.561 3.960 -0.002 0.000 0.317 176 G C -1.187 173.308 174.900 -0.675 0.000 1.162 176 G CA -0.418 44.532 45.100 -0.249 0.000 0.922 176 G HN 0.447 nan 8.290 nan 0.000 0.454 177 L N 3.087 123.851 121.223 -0.764 0.000 2.283 177 L HA 0.472 4.811 4.340 -0.002 0.000 0.281 177 L C -0.917 175.614 176.870 -0.564 0.000 1.033 177 L CA -0.745 53.782 54.840 -0.523 0.000 0.848 177 L CB 0.507 42.414 42.059 -0.254 0.000 1.226 177 L HN 0.366 nan 8.230 nan 0.000 0.429 178 F N 1.501 121.460 119.950 0.015 0.000 2.332 178 F HA 0.504 5.030 4.527 -0.002 0.000 0.368 178 F C 0.919 176.695 175.800 -0.039 0.000 1.110 178 F CA -0.829 57.162 58.000 -0.014 0.000 1.087 178 F CB 1.091 40.088 39.000 -0.005 0.000 1.235 178 F HN 0.390 nan 8.300 nan 0.000 0.470 179 T N -0.028 114.576 114.554 0.084 0.000 2.943 179 T HA 0.848 5.197 4.350 -0.002 0.000 0.284 179 T C 0.154 174.862 174.700 0.014 0.000 1.015 179 T CA -0.938 61.154 62.100 -0.013 0.000 1.042 179 T CB 1.765 70.685 68.868 0.086 0.000 1.055 179 T HN 0.651 nan 8.240 nan 0.000 0.500 180 A N 2.382 125.177 122.820 -0.041 0.000 2.332 180 A HA 0.620 4.939 4.320 -0.002 0.000 0.258 180 A C -2.426 175.197 177.584 0.066 0.000 1.087 180 A CA -1.699 50.343 52.037 0.008 0.000 0.802 180 A CB -0.800 18.190 19.000 -0.016 0.000 1.042 180 A HN 0.712 nan 8.150 nan 0.000 0.489 181 P HA 0.324 nan 4.420 nan 0.000 0.267 181 P C 0.921 178.260 177.300 0.065 0.000 1.209 181 P CA 1.606 64.738 63.100 0.052 0.000 0.763 181 P CB 0.818 32.537 31.700 0.032 0.000 0.816 182 G N 2.894 111.730 108.800 0.060 0.000 2.279 182 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.223 182 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.223 182 G C 0.006 174.930 174.900 0.040 0.000 1.015 182 G CA -0.459 44.665 45.100 0.040 0.000 0.621 182 G HN 0.537 nan 8.290 nan 0.000 0.506 183 F N 3.914 123.829 119.950 -0.060 0.000 2.504 183 F HA 0.633 5.159 4.527 -0.001 0.000 0.369 183 F C 0.881 176.594 175.800 -0.144 0.000 1.082 183 F CA -0.301 57.648 58.000 -0.085 0.000 1.216 183 F CB 0.477 39.436 39.000 -0.068 0.000 1.108 183 F HN 0.124 nan 8.300 nan 0.000 0.554 184 R N 7.189 127.233 120.500 -0.759 0.000 2.445 184 R HA 0.488 4.827 4.340 -0.002 0.000 0.308 184 R C -1.085 174.730 176.300 -0.810 0.000 0.961 184 R CA -0.965 54.758 56.100 -0.629 0.000 0.862 184 R CB 1.604 31.645 30.300 -0.433 0.000 1.144 184 R HN 0.662 nan 8.270 nan 0.000 0.447 185 L N 2.851 123.613 121.223 -0.768 0.000 2.350 185 L HA 0.318 4.657 4.340 -0.002 0.000 0.275 185 L C 0.276 176.865 176.870 -0.468 0.000 1.099 185 L CA -0.519 53.978 54.840 -0.571 0.000 0.808 185 L CB 0.871 42.607 42.059 -0.539 0.000 1.149 185 L HN 0.366 nan 8.230 nan 0.000 0.442 186 K N 1.275 121.579 120.400 -0.159 0.000 2.322 186 K HA 0.095 4.414 4.320 -0.002 0.000 0.283 186 K C 0.628 177.347 176.600 0.198 0.000 1.042 186 K CA -0.171 56.115 56.287 -0.002 0.000 0.958 186 K CB 0.801 33.324 32.500 0.038 0.000 0.984 186 K HN 0.459 nan 8.250 nan 0.000 0.473 187 H N 0.546 119.804 119.070 0.313 0.000 2.390 187 H HA -0.215 4.340 4.556 -0.002 0.000 0.298 187 H C 2.207 177.645 175.328 0.184 0.000 1.106 187 H CA 2.192 58.398 56.048 0.264 0.000 1.297 187 H CB 0.213 30.051 29.762 0.127 0.000 1.375 187 H HN 0.734 nan 8.280 nan 0.000 0.509 188 S N 0.342 116.210 115.700 0.280 0.000 2.374 188 S HA -0.281 4.188 4.470 -0.002 0.000 0.227 188 S C 2.041 176.788 174.600 0.246 0.000 1.037 188 S CA 1.452 59.784 58.200 0.219 0.000 1.024 188 S CB -0.740 62.569 63.200 0.182 0.000 0.861 188 S HN 0.417 nan 8.310 nan 0.000 0.456 189 F N 2.665 122.678 119.950 0.105 0.000 2.084 189 F HA 0.023 4.549 4.527 -0.002 0.000 0.296 189 F C 2.359 178.213 175.800 0.090 0.000 1.111 189 F CA 1.280 59.323 58.000 0.073 0.000 1.224 189 F CB -0.805 38.220 39.000 0.042 0.000 0.991 189 F HN 0.083 nan 8.300 nan 0.000 0.471 190 V N 0.222 120.189 119.914 0.089 0.000 2.469 190 V HA -0.326 3.793 4.120 -0.002 0.000 0.251 190 V C 2.350 178.419 176.094 -0.041 0.000 1.064 190 V CA 2.107 64.394 62.300 -0.021 0.000 1.066 190 V CB -0.836 31.098 31.823 0.184 0.000 0.667 190 V HN 0.366 nan 8.190 nan 0.000 0.461 191 Q N 0.010 119.835 119.800 0.041 0.000 2.124 191 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 191 Q C 2.429 178.446 176.000 0.028 0.000 0.977 191 Q CA 2.143 57.971 55.803 0.041 0.000 0.850 191 Q CB -0.256 28.534 28.738 0.088 0.000 0.901 191 Q HN 0.645 nan 8.270 nan 0.000 0.429 192 S N -0.260 115.441 115.700 0.003 0.000 2.368 192 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 192 S C 1.651 176.166 174.600 -0.143 0.000 1.029 192 S CA 0.777 58.939 58.200 -0.064 0.000 0.988 192 S CB -0.255 62.842 63.200 -0.171 0.000 0.838 192 S HN 0.236 nan 8.310 nan 0.000 0.462 193 L N 2.006 123.083 121.223 -0.243 0.000 2.043 193 L HA -0.138 4.201 4.340 -0.002 0.000 0.212 193 L C 2.590 179.450 176.870 -0.017 0.000 1.075 193 L CA 1.703 56.459 54.840 -0.141 0.000 0.752 193 L CB -1.130 40.793 42.059 -0.228 0.000 0.891 193 L HN 0.319 nan 8.230 nan 0.000 0.432 194 A N -0.798 121.993 122.820 -0.049 0.000 2.009 194 A HA -0.249 4.070 4.320 -0.002 0.000 0.222 194 A C 2.282 179.867 177.584 0.003 0.000 1.175 194 A CA 2.036 54.051 52.037 -0.036 0.000 0.651 194 A CB -0.868 18.110 19.000 -0.037 0.000 0.815 194 A HN 0.467 nan 8.150 nan 0.000 0.459 195 L N -2.276 118.969 121.223 0.038 0.000 2.056 195 L HA -0.143 4.196 4.340 -0.002 0.000 0.207 195 L C 2.505 179.453 176.870 0.130 0.000 1.078 195 L CA 1.533 56.416 54.840 0.071 0.000 0.749 195 L CB -0.651 41.453 42.059 0.075 0.000 0.901 195 L HN 0.509 nan 8.230 nan 0.000 0.433 196 F N 0.440 120.379 119.950 -0.019 0.000 2.075 196 F HA -0.091 4.435 4.527 -0.002 0.000 0.297 196 F C 1.159 176.981 175.800 0.036 0.000 1.113 196 F CA 1.373 59.380 58.000 0.013 0.000 1.218 196 F CB -0.048 38.963 39.000 0.019 0.000 0.984 196 F HN -0.031 nan 8.300 nan 0.000 0.472 197 T N 0.580 115.012 114.554 -0.202 0.000 3.193 197 T HA 0.296 4.645 4.350 -0.002 0.000 0.332 197 T C -2.284 172.331 174.700 -0.141 0.000 1.208 197 T CA -1.129 60.815 62.100 -0.260 0.000 1.080 197 T CB 1.788 70.385 68.868 -0.452 0.000 1.180 197 T HN -0.144 nan 8.240 nan 0.000 0.469 198 P HA 0.166 nan 4.420 nan 0.000 0.222 198 P C 0.487 177.696 177.300 -0.151 0.000 1.153 198 P CA 0.215 63.251 63.100 -0.106 0.000 0.798 198 P CB -0.107 31.549 31.700 -0.073 0.000 0.796 199 A N 0.970 123.724 122.820 -0.111 0.000 2.639 199 A HA 0.256 4.575 4.320 -0.002 0.000 0.295 199 A C -0.182 177.301 177.584 -0.169 0.000 1.443 199 A CA 0.328 52.306 52.037 -0.097 0.000 1.117 199 A CB -1.492 17.548 19.000 0.066 0.000 1.098 199 A HN 0.161 nan 8.150 nan 0.000 0.552 200 L N 2.537 123.471 121.223 -0.483 0.000 2.408 200 L HA 0.741 5.080 4.340 -0.002 0.000 0.268 200 L C -1.268 175.133 176.870 -0.781 0.000 0.986 200 L CA -0.136 54.456 54.840 -0.413 0.000 0.820 200 L CB 1.693 43.576 42.059 -0.294 0.000 1.303 200 L HN 0.509 nan 8.230 nan 0.000 0.411 201 F N 5.261 125.172 119.950 -0.065 0.000 2.959 201 F HA 0.389 4.915 4.527 -0.002 0.000 0.379 201 F C -2.262 173.432 175.800 -0.177 0.000 1.215 201 F CA -1.482 56.509 58.000 -0.015 0.000 1.190 201 F CB 1.321 40.433 39.000 0.188 0.000 1.574 201 F HN 0.247 nan 8.300 nan 0.000 0.575 202 P HA 0.357 nan 4.420 nan 0.000 0.287 202 P C -0.551 176.737 177.300 -0.021 0.000 1.294 202 P CA -0.352 62.716 63.100 -0.054 0.000 0.776 202 P CB 1.273 33.051 31.700 0.131 0.000 0.889 203 R N 1.537 121.963 120.500 -0.123 0.000 2.673 203 R HA 0.492 4.831 4.340 -0.002 0.000 0.281 203 R C -0.117 176.217 176.300 0.057 0.000 0.991 203 R CA -0.710 55.369 56.100 -0.034 0.000 0.896 203 R CB 2.189 32.398 30.300 -0.152 0.000 1.201 203 R HN 0.537 nan 8.270 nan 0.000 0.457 204 S N 2.514 118.243 115.700 0.049 0.000 2.525 204 S HA 0.866 5.335 4.470 -0.002 0.000 0.290 204 S C 0.077 174.699 174.600 0.037 0.000 1.152 204 S CA -0.706 57.528 58.200 0.057 0.000 1.072 204 S CB 1.080 64.311 63.200 0.051 0.000 1.027 204 S HN 0.554 nan 8.310 nan 0.000 0.500 205 L N -1.059 120.185 121.223 0.035 0.000 2.794 205 L HA 0.594 4.933 4.340 -0.002 0.000 0.261 205 L C -1.123 175.750 176.870 0.004 0.000 0.989 205 L CA -1.140 53.703 54.840 0.006 0.000 0.900 205 L CB 1.296 43.341 42.059 -0.023 0.000 1.473 205 L HN 0.591 nan 8.230 nan 0.000 0.414 206 D N 1.340 121.737 120.400 -0.004 0.000 2.493 206 D HA 0.190 4.829 4.640 -0.002 0.000 0.240 206 D C 0.247 176.539 176.300 -0.013 0.000 1.142 206 D CA 0.351 54.348 54.000 -0.005 0.000 0.872 206 D CB 1.255 42.052 40.800 -0.006 0.000 1.173 206 D HN 0.719 nan 8.370 nan 0.000 0.467 207 L N 2.775 123.992 121.223 -0.010 0.000 2.642 207 L HA -0.019 4.320 4.340 -0.002 0.000 0.233 207 L C 2.312 179.175 176.870 -0.011 0.000 1.077 207 L CA -0.086 54.745 54.840 -0.014 0.000 0.879 207 L CB -0.215 41.837 42.059 -0.012 0.000 1.151 207 L HN 0.363 nan 8.230 nan 0.000 0.495 208 S N -0.189 115.507 115.700 -0.007 0.000 2.315 208 S HA -0.152 4.317 4.470 -0.002 0.000 0.211 208 S C 2.101 176.698 174.600 -0.005 0.000 1.029 208 S CA 1.196 59.393 58.200 -0.005 0.000 0.956 208 S CB -1.059 62.139 63.200 -0.002 0.000 0.918 208 S HN 0.411 nan 8.310 nan 0.000 0.470 209 T N -0.616 113.936 114.554 -0.004 0.000 2.721 209 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 209 T C 0.382 175.078 174.700 -0.005 0.000 1.038 209 T CA 1.850 63.947 62.100 -0.004 0.000 1.145 209 T CB -0.663 68.204 68.868 -0.003 0.000 0.858 209 T HN 0.476 nan 8.240 nan 0.000 0.459 210 D N 0.945 121.340 120.400 -0.008 0.000 2.386 210 D HA 0.359 4.998 4.640 -0.002 0.000 0.247 210 D C -2.497 173.796 176.300 -0.013 0.000 1.336 210 D CA -2.337 51.657 54.000 -0.009 0.000 0.976 210 D CB 2.036 42.830 40.800 -0.010 0.000 1.257 210 D HN -0.065 nan 8.370 nan 0.000 0.570 211 P HA -0.053 nan 4.420 nan 0.000 0.219 211 P C 1.559 178.849 177.300 -0.017 0.000 1.150 211 P CA 0.307 63.399 63.100 -0.014 0.000 0.814 211 P CB 0.642 32.337 31.700 -0.008 0.000 0.787 212 V N -0.279 119.627 119.914 -0.013 0.000 2.270 212 V HA -0.204 3.915 4.120 -0.002 0.000 0.245 212 V C 2.398 178.480 176.094 -0.020 0.000 1.043 212 V CA 1.460 63.752 62.300 -0.013 0.000 1.014 212 V CB -1.305 30.513 31.823 -0.009 0.000 0.645 212 V HN 0.025 nan 8.190 nan 0.000 0.447 213 L N 0.721 121.932 121.223 -0.020 0.000 2.042 213 L HA -0.161 4.178 4.340 -0.002 0.000 0.210 213 L C 2.527 179.375 176.870 -0.036 0.000 1.076 213 L CA 2.254 57.080 54.840 -0.024 0.000 0.749 213 L CB -0.805 41.242 42.059 -0.019 0.000 0.893 213 L HN 0.264 nan 8.230 nan 0.000 0.432 214 A N -1.680 121.116 122.820 -0.040 0.000 1.948 214 A HA -0.276 4.043 4.320 -0.002 0.000 0.220 214 A C 2.274 179.805 177.584 -0.089 0.000 1.177 214 A CA 2.570 54.571 52.037 -0.060 0.000 0.636 214 A CB -1.203 17.768 19.000 -0.049 0.000 0.815 214 A HN 0.538 nan 8.150 nan 0.000 0.449 215 T N -0.379 114.136 114.554 -0.066 0.000 2.857 215 T HA -0.078 4.271 4.350 -0.002 0.000 0.266 215 T C 1.709 176.371 174.700 -0.064 0.000 1.048 215 T CA 1.370 63.429 62.100 -0.069 0.000 1.139 215 T CB -0.233 68.615 68.868 -0.034 0.000 0.874 215 T HN 0.666 nan 8.240 nan 0.000 0.455 216 E N 1.181 121.354 120.200 -0.045 0.000 2.118 216 E HA -0.154 4.195 4.350 -0.002 0.000 0.195 216 E C 2.237 178.811 176.600 -0.043 0.000 0.992 216 E CA 1.043 57.422 56.400 -0.035 0.000 0.804 216 E CB -0.067 29.618 29.700 -0.025 0.000 0.741 216 E HN 0.470 nan 8.360 nan 0.000 0.458 217 K N 0.321 120.685 120.400 -0.061 0.000 2.062 217 K HA -0.056 4.263 4.320 -0.002 0.000 0.205 217 K C 2.151 178.707 176.600 -0.073 0.000 1.051 217 K CA 0.852 57.104 56.287 -0.059 0.000 0.941 217 K CB -0.024 32.431 32.500 -0.075 0.000 0.719 217 K HN 0.109 nan 8.250 nan 0.000 0.440 218 I N 1.878 122.341 120.570 -0.179 0.000 2.179 218 I HA -0.294 3.875 4.170 -0.002 0.000 0.242 218 I C 1.609 177.678 176.117 -0.080 0.000 1.088 218 I CA 1.118 62.241 61.300 -0.295 0.000 1.357 218 I CB -0.356 37.313 38.000 -0.551 0.000 1.051 218 I HN 0.190 nan 8.210 nan 0.000 0.409 219 N N 0.682 119.347 118.700 -0.057 0.000 2.142 219 N HA -0.179 4.560 4.740 -0.002 0.000 0.186 219 N C 1.851 177.332 175.510 -0.049 0.000 1.023 219 N CA 1.058 54.091 53.050 -0.029 0.000 0.852 219 N CB -0.484 38.000 38.487 -0.006 0.000 0.998 219 N HN 0.289 nan 8.380 nan 0.000 0.424 220 R N -0.226 120.257 120.500 -0.029 0.000 2.081 220 R HA -0.100 4.239 4.340 -0.002 0.000 0.235 220 R C 2.060 178.335 176.300 -0.041 0.000 1.131 220 R CA 0.937 57.017 56.100 -0.034 0.000 0.960 220 R CB -0.366 29.926 30.300 -0.013 0.000 0.856 220 R HN 0.219 nan 8.270 nan 0.000 0.436 221 F N 1.362 121.225 119.950 -0.145 0.000 2.051 221 F HA -0.213 4.313 4.527 -0.002 0.000 0.296 221 F C 1.965 177.619 175.800 -0.244 0.000 1.122 221 F CA 1.411 59.315 58.000 -0.159 0.000 1.201 221 F CB -0.313 38.625 39.000 -0.103 0.000 0.978 221 F HN -0.071 nan 8.300 nan 0.000 0.472 222 I N 0.851 121.175 120.570 -0.410 0.000 2.208 222 I HA -0.273 3.896 4.170 -0.002 0.000 0.245 222 I C 2.323 178.077 176.117 -0.604 0.000 1.097 222 I CA 1.601 62.501 61.300 -0.667 0.000 1.363 222 I CB -1.360 36.275 38.000 -0.608 0.000 1.051 222 I HN 0.216 nan 8.210 nan 0.000 0.413 223 K N 1.828 122.004 120.400 -0.374 0.000 2.209 223 K HA -0.068 4.251 4.320 -0.002 0.000 0.204 223 K C 1.992 178.392 176.600 -0.333 0.000 1.048 223 K CA 1.566 57.679 56.287 -0.289 0.000 0.940 223 K CB -0.277 32.129 32.500 -0.157 0.000 0.729 223 K HN 0.244 nan 8.250 nan 0.000 0.451 224 A N 0.274 122.868 122.820 -0.377 0.000 1.872 224 A HA -0.053 4.267 4.320 -0.002 0.000 0.214 224 A C 2.241 179.545 177.584 -0.466 0.000 1.187 224 A CA 1.736 53.562 52.037 -0.352 0.000 0.614 224 A CB -0.859 17.971 19.000 -0.285 0.000 0.826 224 A HN 0.260 nan 8.150 nan 0.000 0.442 225 V N -2.126 117.353 119.914 -0.725 0.000 2.788 225 V HA -0.054 4.065 4.120 -0.002 0.000 0.251 225 V C 2.114 177.779 176.094 -0.715 0.000 1.068 225 V CA 2.311 64.148 62.300 -0.772 0.000 1.090 225 V CB -1.140 29.933 31.823 -1.251 0.000 0.710 225 V HN 0.662 nan 8.190 nan 0.000 0.467 226 T N -3.641 110.411 114.554 -0.837 0.000 3.034 226 T HA 0.385 4.734 4.350 -0.002 0.000 0.248 226 T C 1.830 175.964 174.700 -0.944 0.000 1.040 226 T CA 1.004 62.415 62.100 -1.147 0.000 1.107 226 T CB 0.178 67.999 68.868 -1.744 0.000 0.932 226 T HN 1.595 nan 8.240 nan 0.000 0.474 227 G N 1.038 109.499 108.800 -0.564 0.000 2.153 227 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.252 227 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.252 227 G C -0.266 174.576 174.900 -0.098 0.000 0.994 227 G CA 0.042 44.974 45.100 -0.280 0.000 0.698 227 G HN 0.530 nan 8.290 nan 0.000 0.521 228 W N 1.819 122.985 121.300 -0.223 0.000 2.316 228 W HA 0.521 5.181 4.660 -0.001 0.000 0.308 228 W C 0.799 177.235 176.519 -0.138 0.000 1.106 228 W CA -1.853 55.356 57.345 -0.227 0.000 1.262 228 W CB 0.464 29.762 29.460 -0.270 0.000 1.233 228 W HN 0.401 nan 8.180 nan 0.000 0.447 229 K N 3.746 124.210 120.400 0.106 0.000 2.312 229 K HA 0.605 4.924 4.320 -0.002 0.000 0.287 229 K C -0.196 176.457 176.600 0.090 0.000 1.062 229 K CA -0.026 56.300 56.287 0.064 0.000 0.934 229 K CB 0.979 33.499 32.500 0.032 0.000 1.027 229 K HN 0.447 nan 8.250 nan 0.000 0.478 230 M N 2.038 121.697 119.600 0.099 0.000 2.846 230 M HA 0.211 4.690 4.480 -0.002 0.000 0.282 230 M C -0.689 175.674 176.300 0.106 0.000 1.266 230 M CA -1.099 54.278 55.300 0.129 0.000 0.766 230 M CB 2.047 34.775 32.600 0.213 0.000 1.739 230 M HN 0.610 nan 8.290 nan 0.000 0.442 231 N N 1.404 120.174 118.700 0.118 0.000 2.411 231 N HA 0.078 4.817 4.740 -0.002 0.000 0.261 231 N C -1.281 174.294 175.510 0.107 0.000 1.248 231 N CA 0.008 53.117 53.050 0.100 0.000 0.885 231 N CB 0.345 38.892 38.487 0.100 0.000 1.062 231 N HN 0.207 nan 8.380 nan 0.000 0.471 232 L N 4.840 126.109 121.223 0.076 0.000 2.603 232 L HA 0.313 4.652 4.340 -0.002 0.000 0.242 232 L C -2.072 174.829 176.870 0.052 0.000 1.169 232 L CA -2.099 52.781 54.840 0.066 0.000 1.029 232 L CB -0.488 41.595 42.059 0.041 0.000 1.361 232 L HN 0.399 nan 8.230 nan 0.000 0.439 233 P HA 0.047 nan 4.420 nan 0.000 0.261 233 P C 0.782 178.101 177.300 0.031 0.000 1.203 233 P CA -0.004 63.123 63.100 0.045 0.000 0.767 233 P CB 0.967 32.697 31.700 0.050 0.000 0.785 234 L N 1.789 123.025 121.223 0.022 0.000 2.418 234 L HA 0.106 4.445 4.340 -0.002 0.000 0.218 234 L C 1.446 178.321 176.870 0.008 0.000 1.125 234 L CA 0.677 55.524 54.840 0.012 0.000 0.835 234 L CB -0.748 41.317 42.059 0.009 0.000 0.953 234 L HN 0.372 nan 8.230 nan 0.000 0.454 235 E N 1.335 121.543 120.200 0.013 0.000 2.328 235 E HA 0.201 4.550 4.350 -0.002 0.000 0.265 235 E C 0.531 177.136 176.600 0.008 0.000 1.057 235 E CA -0.255 56.152 56.400 0.011 0.000 0.916 235 E CB 0.492 30.201 29.700 0.015 0.000 0.993 235 E HN 0.237 nan 8.360 nan 0.000 0.446 236 G N 3.059 111.860 108.800 0.003 0.000 2.441 236 G HA2 0.219 4.178 3.960 -0.002 0.000 0.243 236 G HA3 0.219 4.178 3.960 -0.002 0.000 0.243 236 G C -0.130 174.771 174.900 0.003 0.000 1.281 236 G CA -0.646 44.453 45.100 -0.001 0.000 0.854 236 G HN 0.449 nan 8.290 nan 0.000 0.560 237 V N 1.600 121.515 119.914 0.003 0.000 2.834 237 V HA 0.166 4.285 4.120 -0.002 0.000 0.301 237 V C 0.934 177.030 176.094 0.003 0.000 1.066 237 V CA -0.584 61.721 62.300 0.009 0.000 1.052 237 V CB 1.374 33.208 31.823 0.018 0.000 1.021 237 V HN 0.895 nan 8.190 nan 0.000 0.480 238 S N 1.807 117.510 115.700 0.004 0.000 2.643 238 S HA -0.123 4.346 4.470 -0.002 0.000 0.310 238 S C 1.467 176.064 174.600 -0.004 0.000 1.253 238 S CA 0.647 58.846 58.200 -0.001 0.000 1.047 238 S CB 0.255 63.453 63.200 -0.002 0.000 0.767 238 S HN 1.006 nan 8.310 nan 0.000 0.498 239 T N 1.531 116.083 114.554 -0.004 0.000 2.803 239 T HA -0.175 4.174 4.350 -0.002 0.000 0.269 239 T C 1.155 175.850 174.700 -0.007 0.000 1.052 239 T CA 1.826 63.923 62.100 -0.005 0.000 1.136 239 T CB -0.606 68.260 68.868 -0.004 0.000 0.864 239 T HN 0.850 nan 8.240 nan 0.000 0.467 240 D N 0.149 120.544 120.400 -0.008 0.000 2.339 240 D HA 0.127 4.766 4.640 -0.002 0.000 0.217 240 D C 0.430 176.717 176.300 -0.022 0.000 1.050 240 D CA -0.132 53.862 54.000 -0.010 0.000 0.856 240 D CB -0.210 40.586 40.800 -0.007 0.000 0.922 240 D HN 0.150 nan 8.370 nan 0.000 0.518 241 S N 0.150 115.835 115.700 -0.025 0.000 2.516 241 S HA 0.186 4.655 4.470 -0.002 0.000 0.282 241 S C 1.226 175.778 174.600 -0.080 0.000 1.286 241 S CA 0.144 58.319 58.200 -0.042 0.000 1.066 241 S CB 1.011 64.200 63.200 -0.019 0.000 0.884 241 S HN 0.513 nan 8.310 nan 0.000 0.491 242 T N 0.518 114.973 114.554 -0.164 0.000 3.054 242 T HA 0.355 4.704 4.350 -0.002 0.000 0.255 242 T C 0.151 174.537 174.700 -0.524 0.000 1.035 242 T CA -0.263 61.648 62.100 -0.315 0.000 0.941 242 T CB -0.063 68.578 68.868 -0.378 0.000 1.026 242 T HN 0.456 nan 8.240 nan 0.000 0.533 243 L N 1.623 122.660 121.223 -0.309 0.000 2.543 243 L HA 0.533 4.872 4.340 -0.002 0.000 0.265 243 L C -2.056 174.841 176.870 0.045 0.000 0.945 243 L CA -0.829 53.891 54.840 -0.200 0.000 0.869 243 L CB 2.096 43.982 42.059 -0.289 0.000 1.294 243 L HN 0.218 nan 8.230 nan 0.000 0.405 244 L N 4.632 125.945 121.223 0.150 0.000 2.346 244 L HA 0.523 4.862 4.340 -0.002 0.000 0.276 244 L C -1.162 175.919 176.870 0.352 0.000 1.006 244 L CA -0.585 54.418 54.840 0.272 0.000 0.817 244 L CB 2.386 44.619 42.059 0.290 0.000 1.272 244 L HN 0.518 nan 8.230 nan 0.000 0.421 245 F N 3.304 123.409 119.950 0.258 0.000 2.434 245 F HA 0.466 4.992 4.527 -0.002 0.000 0.355 245 F C -0.539 175.400 175.800 0.230 0.000 1.115 245 F CA -0.569 57.572 58.000 0.236 0.000 1.010 245 F CB 0.987 40.163 39.000 0.293 0.000 1.234 245 F HN 0.453 nan 8.300 nan 0.000 0.439 246 N N 3.498 122.356 118.700 0.262 0.000 2.372 246 N HA 0.310 5.049 4.740 -0.002 0.000 0.285 246 N C -1.104 174.454 175.510 0.081 0.000 1.008 246 N CA -0.535 52.620 53.050 0.174 0.000 0.880 246 N CB 2.101 40.730 38.487 0.235 0.000 1.239 246 N HN 0.369 nan 8.380 nan 0.000 0.484 247 T N 2.605 117.184 114.554 0.042 0.000 2.801 247 T HA 0.298 4.647 4.350 -0.002 0.000 0.306 247 T C -0.501 174.201 174.700 0.003 0.000 1.020 247 T CA -0.255 61.949 62.100 0.173 0.000 0.948 247 T CB -0.232 68.858 68.868 0.371 0.000 0.962 247 T HN 0.228 nan 8.240 nan 0.000 0.465 248 Y N 2.493 122.967 120.300 0.289 0.000 2.518 248 Y HA 0.418 4.967 4.550 -0.001 0.000 0.344 248 Y C 0.434 176.563 175.900 0.381 0.000 0.982 248 Y CA -0.906 57.401 58.100 0.345 0.000 1.234 248 Y CB 0.358 39.073 38.460 0.426 0.000 1.114 248 Y HN 0.315 nan 8.280 nan 0.000 0.515 249 V N 3.884 124.008 119.914 0.350 0.000 2.686 249 V HA 0.201 4.320 4.120 -0.002 0.000 0.295 249 V C -0.136 176.025 176.094 0.111 0.000 1.057 249 V CA -0.604 61.856 62.300 0.267 0.000 1.012 249 V CB 1.125 33.122 31.823 0.290 0.000 1.006 249 V HN 0.715 nan 8.190 nan 0.000 0.477 250 H N 4.086 123.023 119.070 -0.222 0.000 2.877 250 H HA 0.449 5.004 4.556 -0.002 0.000 0.347 250 H C -2.204 173.033 175.328 -0.152 0.000 1.042 250 H CA -0.579 55.156 56.048 -0.522 0.000 1.276 250 H CB 1.755 30.504 29.762 -1.689 0.000 1.681 250 H HN 0.589 nan 8.280 nan 0.000 0.521 251 F N 4.220 123.800 119.950 -0.616 0.000 2.540 251 F HA 0.387 4.913 4.527 -0.001 0.000 0.317 251 F C -1.279 174.170 175.800 -0.585 0.000 1.104 251 F CA -0.334 57.387 58.000 -0.464 0.000 0.913 251 F CB 1.912 40.753 39.000 -0.265 0.000 1.170 251 F HN 0.543 nan 8.300 nan 0.000 0.450 252 Q N 3.754 122.884 119.800 -1.116 0.000 2.304 252 Q HA 0.615 4.954 4.340 -0.002 0.000 0.270 252 Q C -0.952 174.553 176.000 -0.826 0.000 1.035 252 Q CA -1.119 54.241 55.803 -0.739 0.000 0.781 252 Q CB 2.436 30.871 28.738 -0.506 0.000 1.261 252 Q HN 0.932 nan 8.270 nan 0.000 0.444 253 G N 1.109 109.654 108.800 -0.424 0.000 2.666 253 G HA2 0.488 4.447 3.960 -0.002 0.000 0.303 253 G HA3 0.488 4.447 3.960 -0.002 0.000 0.303 253 G C -0.871 173.944 174.900 -0.142 0.000 1.412 253 G CA -0.240 44.715 45.100 -0.242 0.000 0.979 253 G HN 0.341 nan 8.290 nan 0.000 0.507 254 T N 3.729 118.212 114.554 -0.119 0.000 2.795 254 T HA 0.383 4.732 4.350 -0.002 0.000 0.282 254 T C 0.560 175.220 174.700 -0.067 0.000 0.980 254 T CA -0.322 61.730 62.100 -0.079 0.000 1.012 254 T CB 0.858 69.692 68.868 -0.057 0.000 0.936 254 T HN 0.319 nan 8.240 nan 0.000 0.457 255 M N 3.925 123.470 119.600 -0.090 0.000 2.365 255 M HA 0.289 4.768 4.480 -0.002 0.000 0.350 255 M C 0.473 176.841 176.300 0.113 0.000 1.274 255 M CA -0.324 54.894 55.300 -0.137 0.000 1.252 255 M CB 0.118 32.386 32.600 -0.555 0.000 1.297 255 M HN 0.381 nan 8.290 nan 0.000 0.438 256 R N 0.784 121.370 120.500 0.144 0.000 2.522 256 R HA 0.253 4.592 4.340 -0.002 0.000 0.284 256 R C 1.120 177.597 176.300 0.295 0.000 1.032 256 R CA 1.627 57.834 56.100 0.178 0.000 1.049 256 R CB 0.429 30.802 30.300 0.121 0.000 0.956 256 R HN 0.984 nan 8.270 nan 0.000 0.422 257 G N 3.552 112.483 108.800 0.218 0.000 2.284 257 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.230 257 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.230 257 G C 0.062 175.031 174.900 0.116 0.000 1.021 257 G CA -0.215 44.978 45.100 0.156 0.000 0.619 257 G HN 0.544 nan 8.290 nan 0.000 0.510 258 F N 2.448 122.435 119.950 0.062 0.000 2.389 258 F HA 0.563 5.089 4.527 -0.002 0.000 0.337 258 F C 1.071 176.890 175.800 0.031 0.000 1.112 258 F CA 0.367 58.396 58.000 0.048 0.000 1.192 258 F CB 1.704 40.722 39.000 0.031 0.000 1.185 258 F HN 0.312 nan 8.300 nan 0.000 0.552 259 S N 1.259 117.062 115.700 0.172 0.000 2.569 259 S HA 0.299 4.768 4.470 -0.002 0.000 0.280 259 S C -1.052 173.613 174.600 0.107 0.000 1.111 259 S CA -1.160 57.106 58.200 0.111 0.000 0.887 259 S CB 1.730 64.967 63.200 0.061 0.000 1.095 259 S HN 0.666 nan 8.310 nan 0.000 0.476 260 Q N 2.039 121.891 119.800 0.086 0.000 2.348 260 Q HA 0.311 4.651 4.340 -0.002 0.000 0.251 260 Q C -0.664 175.387 176.000 0.086 0.000 1.113 260 Q CA -0.335 55.519 55.803 0.084 0.000 0.902 260 Q CB 0.001 28.778 28.738 0.064 0.000 1.333 260 Q HN 0.686 nan 8.270 nan 0.000 0.457 261 L N 5.680 126.965 121.223 0.104 0.000 2.499 261 L HA 0.086 4.425 4.340 -0.002 0.000 0.281 261 L C -1.785 175.174 176.870 0.148 0.000 1.234 261 L CA -1.511 53.401 54.840 0.121 0.000 0.839 261 L CB -0.032 42.102 42.059 0.125 0.000 1.104 261 L HN 0.586 nan 8.230 nan 0.000 0.500 262 P HA -0.009 nan 4.420 nan 0.000 0.261 262 P C 0.298 177.625 177.300 0.046 0.000 1.173 262 P CA 1.017 64.169 63.100 0.087 0.000 0.760 262 P CB 0.247 31.995 31.700 0.081 0.000 0.783 263 G N 1.596 110.392 108.800 -0.006 0.000 2.682 263 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.256 263 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.256 263 G C 0.078 174.930 174.900 -0.081 0.000 1.333 263 G CA -0.230 44.828 45.100 -0.070 0.000 0.904 263 G HN 0.668 nan 8.290 nan 0.000 0.569 264 V N -2.738 117.104 119.914 -0.121 0.000 3.336 264 V HA 0.840 4.959 4.120 -0.002 0.000 0.304 264 V C 0.481 176.422 176.094 -0.256 0.000 1.073 264 V CA -0.279 61.976 62.300 -0.076 0.000 1.074 264 V CB 1.630 33.434 31.823 -0.031 0.000 1.161 264 V HN 1.102 nan 8.190 nan 0.000 0.460 265 H N -0.317 118.798 119.070 0.074 0.000 2.930 265 H HA 0.405 4.960 4.556 -0.002 0.000 0.371 265 H C -1.066 174.336 175.328 0.124 0.000 1.169 265 H CA -0.549 55.557 56.048 0.098 0.000 1.157 265 H CB 2.142 31.970 29.762 0.110 0.000 1.789 265 H HN 0.915 nan 8.280 nan 0.000 0.547 266 E N 2.934 123.283 120.200 0.249 0.000 2.081 266 E HA 0.041 4.390 4.350 -0.002 0.000 0.270 266 E C -0.839 175.902 176.600 0.235 0.000 1.180 266 E CA -0.262 56.230 56.400 0.154 0.000 0.926 266 E CB 0.117 29.893 29.700 0.127 0.000 1.035 266 E HN 0.246 nan 8.360 nan 0.000 0.418 267 F N 5.001 124.986 119.950 0.058 0.000 2.445 267 F HA 0.236 4.762 4.527 -0.001 0.000 0.359 267 F C -0.856 174.962 175.800 0.030 0.000 1.101 267 F CA -0.648 57.424 58.000 0.120 0.000 1.177 267 F CB 0.471 39.531 39.000 0.100 0.000 1.110 267 F HN 0.447 nan 8.300 nan 0.000 0.522 268 W N 7.511 128.576 121.300 -0.391 0.000 2.367 268 W HA 0.358 5.018 4.660 -0.000 0.000 0.329 268 W C 0.581 176.954 176.519 -0.242 0.000 1.066 268 W CA -0.611 56.607 57.345 -0.210 0.000 1.435 268 W CB 0.896 30.254 29.460 -0.169 0.000 1.296 268 W HN 0.351 nan 8.180 nan 0.000 0.401 269 V N 2.109 122.112 119.914 0.147 0.000 2.261 269 V HA -0.190 3.929 4.120 -0.002 0.000 0.246 269 V C 0.595 176.786 176.094 0.163 0.000 1.047 269 V CA 2.182 64.617 62.300 0.224 0.000 1.015 269 V CB -0.689 31.252 31.823 0.197 0.000 0.642 269 V HN 0.620 nan 8.190 nan 0.000 0.446 270 D N -4.320 116.187 120.400 0.178 0.000 2.692 270 D HA 0.182 4.821 4.640 -0.002 0.000 0.303 270 D C 0.215 176.680 176.300 0.274 0.000 1.278 270 D CA -0.627 53.481 54.000 0.179 0.000 0.852 270 D CB -0.063 40.806 40.800 0.115 0.000 1.375 270 D HN -0.247 nan 8.370 nan 0.000 0.453 271 N N -0.676 118.146 118.700 0.204 0.000 2.322 271 N HA -0.126 4.613 4.740 -0.002 0.000 0.189 271 N C 0.824 176.525 175.510 0.319 0.000 1.012 271 N CA 1.432 54.613 53.050 0.219 0.000 0.880 271 N CB -0.195 38.353 38.487 0.102 0.000 0.967 271 N HN 0.382 nan 8.380 nan 0.000 0.439 272 S N -0.706 115.133 115.700 0.232 0.000 2.691 272 S HA 0.264 4.733 4.470 -0.002 0.000 0.241 272 S C 0.431 175.065 174.600 0.056 0.000 1.077 272 S CA -0.319 57.979 58.200 0.163 0.000 0.900 272 S CB 0.905 64.159 63.200 0.091 0.000 0.805 272 S HN -0.006 nan 8.310 nan 0.000 0.529 273 I N 2.367 122.947 120.570 0.016 0.000 2.385 273 I HA 0.406 4.575 4.170 -0.002 0.000 0.294 273 I C -0.542 175.460 176.117 -0.192 0.000 0.988 273 I CA 0.083 61.337 61.300 -0.078 0.000 1.265 273 I CB 1.434 39.421 38.000 -0.021 0.000 1.388 273 I HN -0.021 nan 8.210 nan 0.000 0.480 274 S N 4.752 120.251 115.700 -0.335 0.000 2.706 274 S HA 0.458 4.927 4.470 -0.002 0.000 0.270 274 S C -0.360 174.069 174.600 -0.286 0.000 1.163 274 S CA -0.890 57.014 58.200 -0.492 0.000 1.042 274 S CB 1.223 63.603 63.200 -1.366 0.000 1.079 274 S HN 0.505 nan 8.310 nan 0.000 0.474 275 V N 0.905 120.760 119.914 -0.098 0.000 3.336 275 V HA 0.822 4.941 4.120 -0.002 0.000 0.304 275 V C 0.134 176.221 176.094 -0.013 0.000 1.073 275 V CA -0.332 61.942 62.300 -0.042 0.000 1.074 275 V CB 1.339 33.161 31.823 -0.003 0.000 1.161 275 V HN 0.702 nan 8.190 nan 0.000 0.460 276 S N 0.837 116.535 115.700 -0.003 0.000 2.502 276 S HA 0.813 5.282 4.470 -0.002 0.000 0.304 276 S C -0.542 174.077 174.600 0.032 0.000 1.097 276 S CA -0.326 57.891 58.200 0.028 0.000 1.045 276 S CB 1.338 64.536 63.200 -0.004 0.000 1.019 276 S HN 1.507 nan 8.310 nan 0.000 0.481 277 V N 0.688 120.646 119.914 0.073 0.000 3.049 277 V HA 0.774 4.893 4.120 -0.002 0.000 0.309 277 V C -2.971 173.176 176.094 0.089 0.000 1.148 277 V CA -2.877 59.454 62.300 0.052 0.000 0.990 277 V CB 1.787 33.621 31.823 0.018 0.000 1.039 277 V HN 0.606 nan 8.190 nan 0.000 0.430 278 P HA 0.309 nan 4.420 nan 0.000 0.271 278 P C -0.940 176.431 177.300 0.117 0.000 1.216 278 P CA 0.020 63.172 63.100 0.087 0.000 0.771 278 P CB 0.736 32.466 31.700 0.049 0.000 0.864 279 M N 3.472 123.175 119.600 0.172 0.000 2.537 279 M HA 0.492 4.971 4.480 -0.002 0.000 0.324 279 M C 0.462 176.832 176.300 0.116 0.000 1.187 279 M CA -0.920 54.468 55.300 0.147 0.000 0.993 279 M CB 1.645 34.334 32.600 0.148 0.000 1.666 279 M HN 0.334 nan 8.290 nan 0.000 0.461 280 I N -1.161 119.471 120.570 0.103 0.000 2.603 280 I HA 0.838 5.007 4.170 -0.002 0.000 0.300 280 I C -0.437 175.793 176.117 0.189 0.000 1.017 280 I CA -0.463 60.918 61.300 0.135 0.000 1.098 280 I CB 2.153 40.223 38.000 0.116 0.000 1.279 280 I HN 0.618 nan 8.210 nan 0.000 0.437 281 S N 2.542 118.375 115.700 0.222 0.000 2.550 281 S HA 0.933 5.403 4.470 -0.002 0.000 0.270 281 S C -0.745 173.813 174.600 -0.071 0.000 1.145 281 S CA -0.099 58.195 58.200 0.157 0.000 0.852 281 S CB 1.941 65.159 63.200 0.030 0.000 1.119 281 S HN 1.314 nan 8.310 nan 0.000 0.465 282 G N 0.914 109.402 108.800 -0.520 0.000 2.646 282 G HA2 0.589 4.548 3.960 -0.002 0.000 0.291 282 G HA3 0.589 4.548 3.960 -0.002 0.000 0.291 282 G C -1.663 172.901 174.900 -0.560 0.000 1.445 282 G CA -0.445 44.072 45.100 -0.971 0.000 0.814 282 G HN 0.695 nan 8.290 nan 0.000 0.495 283 T N 0.053 114.395 114.554 -0.354 0.000 2.815 283 T HA 0.769 5.118 4.350 -0.002 0.000 0.289 283 T C 0.235 174.786 174.700 -0.248 0.000 1.000 283 T CA 0.078 62.066 62.100 -0.187 0.000 0.958 283 T CB 1.402 70.182 68.868 -0.145 0.000 0.944 283 T HN 1.185 nan 8.240 nan 0.000 0.442 284 G N 1.788 110.297 108.800 -0.485 0.000 2.788 284 G HA2 0.477 4.436 3.960 -0.002 0.000 0.293 284 G HA3 0.477 4.436 3.960 -0.002 0.000 0.293 284 G C -1.250 173.004 174.900 -1.077 0.000 1.392 284 G CA -0.845 43.704 45.100 -0.919 0.000 0.810 284 G HN 0.445 nan 8.290 nan 0.000 0.508 285 N N 0.738 118.957 118.700 -0.802 0.000 2.868 285 N HA 0.367 5.106 4.740 -0.002 0.000 0.252 285 N C -1.069 174.246 175.510 -0.326 0.000 1.130 285 N CA 0.071 52.865 53.050 -0.426 0.000 1.026 285 N CB -0.061 38.314 38.487 -0.186 0.000 1.335 285 N HN 0.277 nan 8.380 nan 0.000 0.516 286 F N -0.182 119.831 119.950 0.106 0.000 2.432 286 F HA 0.357 4.883 4.527 -0.002 0.000 0.329 286 F C 1.200 177.111 175.800 0.185 0.000 1.076 286 F CA -1.190 56.900 58.000 0.149 0.000 1.018 286 F CB 1.381 40.478 39.000 0.161 0.000 1.201 286 F HN -0.040 nan 8.300 nan 0.000 0.489 287 Q N 1.027 121.088 119.800 0.436 0.000 2.314 287 Q HA 0.269 4.608 4.340 -0.002 0.000 0.258 287 Q C -1.182 175.138 176.000 0.534 0.000 0.954 287 Q CA 0.038 56.090 55.803 0.415 0.000 0.890 287 Q CB 1.152 30.119 28.738 0.382 0.000 1.210 287 Q HN 0.583 nan 8.270 nan 0.000 0.410 288 H N 1.533 120.861 119.070 0.430 0.000 3.085 288 H HA 0.529 5.084 4.556 -0.002 0.000 0.356 288 H C -2.021 173.598 175.328 0.485 0.000 1.178 288 H CA -0.711 55.549 56.048 0.353 0.000 1.214 288 H CB 0.956 30.831 29.762 0.188 0.000 1.881 288 H HN 0.709 nan 8.280 nan 0.000 0.538 289 W N 2.316 123.296 121.300 -0.533 0.000 3.153 289 W HA 0.629 5.288 4.660 -0.003 0.000 0.316 289 W C -1.923 174.343 176.519 -0.422 0.000 1.255 289 W CA -1.006 56.127 57.345 -0.354 0.000 1.192 289 W CB 1.015 30.397 29.460 -0.129 0.000 1.400 289 W HN 0.628 nan 8.180 nan 0.000 0.568 290 S N 1.589 117.187 115.700 -0.170 0.000 2.498 290 S HA 0.222 4.691 4.470 -0.002 0.000 0.317 290 S C -1.211 173.307 174.600 -0.138 0.000 1.090 290 S CA -0.474 57.598 58.200 -0.213 0.000 1.089 290 S CB 0.694 63.868 63.200 -0.043 0.000 0.997 290 S HN 0.489 nan 8.310 nan 0.000 0.470 291 D N 4.338 124.495 120.400 -0.405 0.000 2.359 291 D HA 0.348 4.987 4.640 -0.002 0.000 0.250 291 D C 0.990 177.083 176.300 -0.344 0.000 1.264 291 D CA -0.180 53.554 54.000 -0.444 0.000 0.911 291 D CB 1.069 41.220 40.800 -1.081 0.000 1.056 291 D HN 0.604 nan 8.370 nan 0.000 0.499 292 A N 3.815 126.545 122.820 -0.150 0.000 2.168 292 A HA -0.162 4.157 4.320 -0.002 0.000 0.215 292 A C 1.858 179.384 177.584 -0.097 0.000 1.152 292 A CA 1.062 53.045 52.037 -0.089 0.000 0.716 292 A CB -0.153 18.829 19.000 -0.030 0.000 0.794 292 A HN 0.561 nan 8.150 nan 0.000 0.465 293 Q N 0.667 120.397 119.800 -0.116 0.000 2.020 293 Q HA -0.039 4.300 4.340 -0.002 0.000 0.198 293 Q C 1.196 177.144 176.000 -0.087 0.000 0.974 293 Q CA 1.964 57.720 55.803 -0.080 0.000 0.829 293 Q CB -0.115 28.590 28.738 -0.055 0.000 0.894 293 Q HN 0.556 nan 8.270 nan 0.000 0.433 294 N N 0.103 118.721 118.700 -0.137 0.000 2.205 294 N HA 0.080 4.819 4.740 -0.002 0.000 0.201 294 N C -0.831 174.624 175.510 -0.091 0.000 1.128 294 N CA 0.395 53.415 53.050 -0.050 0.000 0.867 294 N CB 0.476 39.039 38.487 0.128 0.000 0.996 294 N HN 0.246 nan 8.380 nan 0.000 0.503 295 N N 0.560 119.083 118.700 -0.295 0.000 2.726 295 N HA -0.193 4.546 4.740 -0.002 0.000 0.253 295 N C -1.190 173.827 175.510 -0.822 0.000 1.059 295 N CA 0.763 53.482 53.050 -0.552 0.000 0.701 295 N CB -1.972 36.390 38.487 -0.209 0.000 0.899 295 N HN 0.465 nan 8.380 nan 0.000 0.548 296 F N -2.907 116.489 119.950 -0.923 0.000 2.668 296 F HA 0.829 5.355 4.527 -0.002 0.000 0.309 296 F C -0.737 174.887 175.800 -0.293 0.000 1.117 296 F CA -1.032 56.620 58.000 -0.579 0.000 0.951 296 F CB 1.131 39.923 39.000 -0.347 0.000 1.323 296 F HN 0.014 nan 8.300 nan 0.000 0.451 297 S N 1.066 116.803 115.700 0.061 0.000 2.538 297 S HA 0.874 5.343 4.470 -0.002 0.000 0.288 297 S C -1.511 172.958 174.600 -0.219 0.000 1.108 297 S CA -0.741 57.347 58.200 -0.186 0.000 0.971 297 S CB 1.525 64.710 63.200 -0.025 0.000 1.041 297 S HN 0.795 nan 8.310 nan 0.000 0.483 298 V N 1.743 121.243 119.914 -0.690 0.000 2.815 298 V HA 0.788 4.907 4.120 -0.002 0.000 0.314 298 V C -0.309 175.441 176.094 -0.574 0.000 1.064 298 V CA -0.548 61.370 62.300 -0.636 0.000 0.952 298 V CB 2.149 33.427 31.823 -0.908 0.000 1.020 298 V HN 1.071 nan 8.190 nan 0.000 0.439 299 T N 1.706 116.182 114.554 -0.129 0.000 2.921 299 T HA 0.417 4.766 4.350 -0.002 0.000 0.297 299 T C -0.839 173.947 174.700 0.144 0.000 1.013 299 T CA -0.325 61.850 62.100 0.125 0.000 0.990 299 T CB 1.220 70.207 68.868 0.199 0.000 1.023 299 T HN 0.707 nan 8.240 nan 0.000 0.447 300 C N 3.684 123.139 119.300 0.259 0.000 2.322 300 C HA 0.842 5.301 4.460 -0.002 0.000 0.324 300 C C 0.303 175.405 174.990 0.186 0.000 1.284 300 C CA -0.869 58.302 59.018 0.254 0.000 1.606 300 C CB -0.165 27.794 27.740 0.366 0.000 2.251 300 C HN 0.823 nan 8.230 nan 0.000 0.502 301 V N 1.848 121.797 119.914 0.058 0.000 2.735 301 V HA 0.778 4.897 4.120 -0.002 0.000 0.310 301 V C -2.909 173.215 176.094 0.050 0.000 1.061 301 V CA -2.358 59.902 62.300 -0.067 0.000 0.913 301 V CB 1.728 33.252 31.823 -0.497 0.000 1.005 301 V HN 0.656 nan 8.190 nan 0.000 0.428 302 P HA 0.517 nan 4.420 nan 0.000 0.284 302 P C -0.681 176.671 177.300 0.087 0.000 1.253 302 P CA -0.312 62.871 63.100 0.139 0.000 0.800 302 P CB 1.050 32.860 31.700 0.184 0.000 0.961 303 L N 2.531 123.799 121.223 0.075 0.000 2.719 303 L HA 0.566 4.905 4.340 -0.002 0.000 0.236 303 L C 0.947 177.855 176.870 0.063 0.000 1.221 303 L CA -0.161 54.711 54.840 0.054 0.000 1.048 303 L CB -0.248 41.852 42.059 0.069 0.000 1.364 303 L HN 0.738 nan 8.230 nan 0.000 0.447 304 G N 1.062 109.904 108.800 0.070 0.000 2.610 304 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.304 304 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.304 304 G C 0.480 175.423 174.900 0.071 0.000 1.309 304 G CA 0.071 45.209 45.100 0.064 0.000 0.906 304 G HN 0.623 nan 8.290 nan 0.000 0.521 305 E N -0.402 119.833 120.200 0.059 0.000 2.208 305 E HA 0.036 4.385 4.350 -0.002 0.000 0.193 305 E C 2.223 178.853 176.600 0.050 0.000 0.988 305 E CA 1.067 57.501 56.400 0.058 0.000 0.828 305 E CB 0.150 29.878 29.700 0.047 0.000 0.763 305 E HN 0.506 nan 8.360 nan 0.000 0.478 306 R N 0.700 121.221 120.500 0.035 0.000 2.087 306 R HA 0.271 4.610 4.340 -0.002 0.000 0.213 306 R C 0.800 177.102 176.300 0.004 0.000 1.137 306 R CA 0.548 56.655 56.100 0.011 0.000 1.022 306 R CB 0.188 30.487 30.300 -0.003 0.000 0.920 306 R HN 0.106 nan 8.270 nan 0.000 0.451 307 A N 1.250 124.086 122.820 0.027 0.000 2.407 307 A HA 0.349 4.669 4.320 -0.002 0.000 0.248 307 A C -0.468 177.170 177.584 0.091 0.000 1.082 307 A CA 0.450 52.515 52.037 0.048 0.000 0.785 307 A CB 0.585 19.631 19.000 0.078 0.000 1.020 307 A HN 0.184 nan 8.150 nan 0.000 0.489 308 T N 1.906 116.539 114.554 0.133 0.000 2.952 308 T HA 0.453 4.802 4.350 -0.002 0.000 0.305 308 T C -1.102 173.718 174.700 0.200 0.000 1.064 308 T CA -0.378 61.832 62.100 0.183 0.000 1.008 308 T CB 1.272 70.303 68.868 0.271 0.000 1.078 308 T HN 0.687 nan 8.240 nan 0.000 0.459 309 L N 3.884 125.194 121.223 0.145 0.000 2.265 309 L HA 0.644 4.983 4.340 -0.002 0.000 0.289 309 L C -1.440 175.532 176.870 0.170 0.000 1.033 309 L CA -0.637 54.288 54.840 0.142 0.000 0.814 309 L CB 0.165 42.249 42.059 0.042 0.000 1.203 309 L HN 0.496 nan 8.230 nan 0.000 0.423 310 L N 6.258 127.627 121.223 0.243 0.000 2.292 310 L HA 0.498 4.837 4.340 -0.002 0.000 0.284 310 L C -0.487 176.541 176.870 0.263 0.000 1.065 310 L CA 0.209 55.208 54.840 0.266 0.000 0.806 310 L CB 1.245 43.506 42.059 0.337 0.000 1.175 310 L HN 0.526 nan 8.230 nan 0.000 0.431 311 L N 4.901 126.234 121.223 0.184 0.000 2.356 311 L HA 0.587 4.926 4.340 -0.002 0.000 0.277 311 L C -1.002 175.930 176.870 0.104 0.000 0.996 311 L CA -0.497 54.434 54.840 0.151 0.000 0.822 311 L CB 1.878 43.936 42.059 -0.002 0.000 1.256 311 L HN 0.386 nan 8.230 nan 0.000 0.413 312 I N 2.674 123.327 120.570 0.138 0.000 2.418 312 I HA 0.350 4.519 4.170 -0.002 0.000 0.287 312 I C -0.332 175.840 176.117 0.092 0.000 1.008 312 I CA -0.124 61.197 61.300 0.034 0.000 1.104 312 I CB 1.889 39.791 38.000 -0.163 0.000 1.264 312 I HN 0.524 nan 8.210 nan 0.000 0.438 313 Q N 7.316 127.175 119.800 0.098 0.000 2.322 313 Q HA 0.469 4.808 4.340 -0.002 0.000 0.265 313 Q C -2.449 173.648 176.000 0.160 0.000 0.985 313 Q CA -1.857 54.032 55.803 0.143 0.000 0.849 313 Q CB 2.329 31.146 28.738 0.130 0.000 1.274 313 Q HN 0.295 nan 8.270 nan 0.000 0.449 314 P HA 0.093 nan 4.420 nan 0.000 0.286 314 P C -0.217 177.208 177.300 0.208 0.000 1.269 314 P CA -0.289 62.880 63.100 0.116 0.000 0.787 314 P CB 0.974 32.693 31.700 0.032 0.000 0.920 315 H N 0.747 119.843 119.070 0.043 0.000 2.518 315 H HA -0.060 4.494 4.556 -0.003 0.000 0.292 315 H C 0.989 176.319 175.328 0.004 0.000 1.068 315 H CA 0.361 56.419 56.048 0.016 0.000 1.275 315 H CB -0.441 29.325 29.762 0.006 0.000 1.375 315 H HN 0.549 nan 8.280 nan 0.000 0.563 316 C N -3.151 116.223 119.300 0.123 0.000 3.318 316 C HA 0.388 4.847 4.460 -0.002 0.000 0.322 316 C C 1.745 176.765 174.990 0.049 0.000 1.398 316 C CA -1.192 57.862 59.018 0.060 0.000 1.339 316 C CB 0.400 28.163 27.740 0.039 0.000 1.668 316 C HN 0.053 nan 8.230 nan 0.000 0.462 317 I N 1.905 122.497 120.570 0.037 0.000 2.546 317 I HA -0.098 4.071 4.170 -0.002 0.000 0.255 317 I C 2.606 178.744 176.117 0.035 0.000 1.163 317 I CA 2.085 63.411 61.300 0.043 0.000 1.457 317 I CB -0.375 37.653 38.000 0.047 0.000 1.092 317 I HN 0.881 nan 8.210 nan 0.000 0.434 318 S N -0.679 115.037 115.700 0.027 0.000 2.481 318 S HA -0.114 4.355 4.470 -0.002 0.000 0.231 318 S C 1.611 176.217 174.600 0.009 0.000 0.996 318 S CA 0.895 59.106 58.200 0.018 0.000 0.942 318 S CB -0.304 62.905 63.200 0.015 0.000 0.768 318 S HN 0.380 nan 8.310 nan 0.000 0.520 319 D N 0.449 120.854 120.400 0.009 0.000 2.339 319 D HA 0.201 4.840 4.640 -0.002 0.000 0.217 319 D C 1.360 177.644 176.300 -0.027 0.000 1.050 319 D CA -0.141 53.855 54.000 -0.007 0.000 0.856 319 D CB -0.143 40.659 40.800 0.002 0.000 0.922 319 D HN 0.294 nan 8.370 nan 0.000 0.518 320 L N 0.584 121.798 121.223 -0.015 0.000 1.970 320 L HA -0.166 4.173 4.340 -0.002 0.000 0.212 320 L C 1.409 178.245 176.870 -0.058 0.000 1.071 320 L CA 1.951 56.773 54.840 -0.029 0.000 0.751 320 L CB -0.543 41.519 42.059 0.006 0.000 0.889 320 L HN -0.094 nan 8.230 nan 0.000 0.432 321 D N -0.613 119.765 120.400 -0.038 0.000 2.106 321 D HA -0.251 4.388 4.640 -0.002 0.000 0.191 321 D C 2.296 178.556 176.300 -0.067 0.000 0.997 321 D CA 1.615 55.591 54.000 -0.041 0.000 0.834 321 D CB -0.295 40.489 40.800 -0.028 0.000 0.956 321 D HN 0.334 nan 8.370 nan 0.000 0.448 322 R N 0.583 121.041 120.500 -0.071 0.000 2.096 322 R HA -0.143 4.196 4.340 -0.002 0.000 0.240 322 R C 2.166 178.376 176.300 -0.149 0.000 1.139 322 R CA 1.317 57.364 56.100 -0.087 0.000 0.952 322 R CB -0.316 29.943 30.300 -0.068 0.000 0.854 322 R HN 0.076 nan 8.270 nan 0.000 0.436 323 V N 0.986 120.782 119.914 -0.197 0.000 2.343 323 V HA -0.223 3.896 4.120 -0.002 0.000 0.247 323 V C 2.326 178.152 176.094 -0.447 0.000 1.051 323 V CA 2.170 64.252 62.300 -0.364 0.000 1.036 323 V CB -0.622 30.958 31.823 -0.404 0.000 0.654 323 V HN 0.483 nan 8.190 nan 0.000 0.451 324 E N 0.469 120.482 120.200 -0.311 0.000 2.058 324 E HA -0.255 4.094 4.350 -0.002 0.000 0.194 324 E C 2.230 178.732 176.600 -0.164 0.000 0.997 324 E CA 1.514 57.749 56.400 -0.275 0.000 0.801 324 E CB -0.258 29.417 29.700 -0.043 0.000 0.746 324 E HN 0.567 nan 8.360 nan 0.000 0.450 325 A N 0.731 123.490 122.820 -0.102 0.000 1.972 325 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 325 A C 2.070 179.588 177.584 -0.110 0.000 1.169 325 A CA 1.192 53.197 52.037 -0.054 0.000 0.635 325 A CB -0.485 18.485 19.000 -0.050 0.000 0.810 325 A HN 0.382 nan 8.150 nan 0.000 0.446 326 L N -0.135 120.965 121.223 -0.205 0.000 2.068 326 L HA -0.044 4.295 4.340 -0.002 0.000 0.204 326 L C 2.443 179.118 176.870 -0.325 0.000 1.076 326 L CA 1.824 56.523 54.840 -0.236 0.000 0.753 326 L CB -0.586 41.316 42.059 -0.262 0.000 0.910 326 L HN 0.255 nan 8.230 nan 0.000 0.439 327 I N -1.250 118.991 120.570 -0.549 0.000 2.353 327 I HA -0.112 4.057 4.170 -0.002 0.000 0.248 327 I C 1.745 177.750 176.117 -0.187 0.000 1.119 327 I CA 0.742 61.622 61.300 -0.700 0.000 1.417 327 I CB -1.244 36.048 38.000 -1.181 0.000 1.078 327 I HN 0.196 nan 8.210 nan 0.000 0.421 328 F N 0.654 120.571 119.950 -0.055 0.000 2.898 328 F HA 0.308 4.835 4.527 -0.000 0.000 0.290 328 F C 1.271 176.954 175.800 -0.196 0.000 1.195 328 F CA -0.435 57.595 58.000 0.050 0.000 1.387 328 F CB -0.122 39.002 39.000 0.206 0.000 0.976 328 F HN 0.213 nan 8.300 nan 0.000 0.510 332 L N 0.854 122.062 121.223 -0.026 0.000 2.141 332 L HA 0.103 4.442 4.340 -0.002 0.000 0.209 332 L C 0.627 177.435 176.870 -0.104 0.000 1.094 332 L CA 0.709 55.540 54.840 -0.014 0.000 0.763 332 L CB -0.350 41.704 42.059 -0.008 0.000 0.908 332 L HN 0.100 nan 8.230 nan 0.000 0.437 333 L N 0.682 121.802 121.223 -0.171 0.000 3.677 333 L HA -0.242 4.097 4.340 -0.002 0.000 0.464 333 L C 1.364 177.856 176.870 -0.630 0.000 1.278 333 L CA 0.285 54.777 54.840 -0.579 0.000 0.806 333 L CB -1.934 39.802 42.059 -0.539 0.000 1.610 333 L HN 0.466 nan 8.230 nan 0.000 0.867 334 T N -4.448 109.918 114.554 -0.314 0.000 3.085 334 T HA -0.092 4.257 4.350 -0.002 0.000 0.263 334 T C 1.399 176.024 174.700 -0.125 0.000 1.127 334 T CA 0.682 62.674 62.100 -0.180 0.000 1.103 334 T CB -0.221 68.620 68.868 -0.045 0.000 0.921 334 T HN 0.726 nan 8.240 nan 0.000 0.510 335 W N 1.327 122.643 121.300 0.026 0.000 2.825 335 W HA 0.310 4.970 4.660 -0.000 0.000 0.243 335 W C 0.103 176.667 176.519 0.075 0.000 1.293 335 W CA -0.762 56.627 57.345 0.074 0.000 1.403 335 W CB -0.892 28.675 29.460 0.179 0.000 1.134 335 W HN 0.184 nan 8.180 nan 0.000 0.666 336 I N 3.229 123.579 120.570 -0.366 0.000 2.577 336 I HA -0.040 4.129 4.170 -0.002 0.000 0.299 336 I C 0.409 176.342 176.117 -0.307 0.000 1.157 336 I CA 0.862 61.982 61.300 -0.300 0.000 1.418 336 I CB -0.230 37.476 38.000 -0.489 0.000 1.467 336 I HN -0.109 nan 8.210 nan 0.000 0.624 337 E N 5.030 124.913 120.200 -0.528 0.000 2.349 337 E HA 0.184 4.533 4.350 -0.002 0.000 0.265 337 E C -0.280 176.002 176.600 -0.530 0.000 1.064 337 E CA -0.469 55.576 56.400 -0.591 0.000 0.886 337 E CB 0.738 29.929 29.700 -0.847 0.000 1.036 337 E HN 0.365 nan 8.360 nan 0.000 0.413 338 N N 2.917 121.431 118.700 -0.309 0.000 3.012 338 N HA 0.217 4.956 4.740 -0.002 0.000 0.270 338 N C -2.423 173.014 175.510 -0.121 0.000 1.469 338 N CA -1.123 51.826 53.050 -0.168 0.000 0.928 338 N CB 0.560 38.993 38.487 -0.089 0.000 1.219 338 N HN 0.322 nan 8.380 nan 0.000 0.492 339 P HA 0.457 nan 4.420 nan 0.000 0.278 339 P C -2.777 174.539 177.300 0.027 0.000 1.266 339 P CA -1.405 61.670 63.100 -0.041 0.000 0.807 339 P CB 0.267 31.956 31.700 -0.017 0.000 1.094 340 P HA 0.233 nan 4.420 nan 0.000 0.267 340 P C -2.266 175.087 177.300 0.089 0.000 1.205 340 P CA -0.745 62.387 63.100 0.053 0.000 0.765 340 P CB -1.093 30.630 31.700 0.039 0.000 0.828 341 P HA 0.094 nan 4.420 nan 0.000 0.268 341 P C -0.080 177.267 177.300 0.079 0.000 1.208 341 P CA 0.187 63.358 63.100 0.119 0.000 0.777 341 P CB 0.541 32.301 31.700 0.100 0.000 0.875 342 R N 0.659 121.211 120.500 0.087 0.000 2.869 342 R HA 0.829 5.168 4.340 -0.002 0.000 0.263 342 R C -1.020 175.281 176.300 0.002 0.000 1.066 342 R CA -1.361 54.770 56.100 0.051 0.000 0.960 342 R CB 0.881 31.236 30.300 0.091 0.000 1.221 342 R HN 0.301 nan 8.270 nan 0.000 0.474 343 A N 1.771 124.581 122.820 -0.016 0.000 2.484 343 A HA 0.375 4.694 4.320 -0.002 0.000 0.268 343 A C -0.269 177.296 177.584 -0.031 0.000 1.114 343 A CA -0.047 51.959 52.037 -0.052 0.000 0.780 343 A CB -0.281 18.694 19.000 -0.043 0.000 1.061 343 A HN 0.455 nan 8.150 nan 0.000 0.505 344 I N 2.735 123.282 120.570 -0.040 0.000 2.512 344 I HA 0.317 4.486 4.170 -0.002 0.000 0.287 344 I C 0.171 176.320 176.117 0.054 0.000 1.069 344 I CA -0.312 61.008 61.300 0.033 0.000 1.056 344 I CB 1.844 39.949 38.000 0.175 0.000 1.229 344 I HN 0.819 nan 8.210 nan 0.000 0.429 345 R N 5.710 126.216 120.500 0.009 0.000 2.391 345 R HA 0.410 4.749 4.340 -0.002 0.000 0.310 345 R C -0.970 175.341 176.300 0.018 0.000 1.174 345 R CA -0.632 55.463 56.100 -0.007 0.000 1.118 345 R CB 0.466 30.740 30.300 -0.043 0.000 1.134 345 R HN 0.489 nan 8.270 nan 0.000 0.524 346 L N 3.366 124.642 121.223 0.089 0.000 2.349 346 L HA 0.357 4.696 4.340 -0.002 0.000 0.275 346 L C -0.916 176.020 176.870 0.109 0.000 1.115 346 L CA 0.812 55.720 54.840 0.114 0.000 0.820 346 L CB 1.734 43.927 42.059 0.224 0.000 1.135 346 L HN 0.547 nan 8.230 nan 0.000 0.445 347 T N 6.988 121.576 114.554 0.056 0.000 2.937 347 T HA 0.667 5.016 4.350 -0.002 0.000 0.297 347 T C -0.852 173.860 174.700 0.020 0.000 0.991 347 T CA -0.486 61.642 62.100 0.046 0.000 0.990 347 T CB 0.987 69.846 68.868 -0.016 0.000 0.991 347 T HN 0.697 nan 8.240 nan 0.000 0.440 348 L N 0.646 121.893 121.223 0.040 0.000 2.568 348 L HA 0.867 5.206 4.340 -0.002 0.000 0.257 348 L C -3.297 173.615 176.870 0.070 0.000 1.024 348 L CA -3.031 51.818 54.840 0.015 0.000 0.854 348 L CB 1.688 43.679 42.059 -0.113 0.000 1.460 348 L HN 0.227 nan 8.230 nan 0.000 0.409 349 P HA 0.109 nan 4.420 nan 0.000 0.272 349 P C -1.299 176.024 177.300 0.038 0.000 1.223 349 P CA -0.051 63.112 63.100 0.106 0.000 0.784 349 P CB 0.537 32.299 31.700 0.103 0.000 0.923 350 Q N 1.709 121.522 119.800 0.021 0.000 2.297 350 Q HA 0.185 4.524 4.340 -0.002 0.000 0.267 350 Q C -0.827 175.146 176.000 -0.045 0.000 1.006 350 Q CA -0.092 55.703 55.803 -0.013 0.000 0.896 350 Q CB 0.005 28.743 28.738 0.000 0.000 1.186 350 Q HN 0.406 nan 8.270 nan 0.000 0.392 351 L N 4.219 125.395 121.223 -0.078 0.000 2.275 351 L HA 0.336 4.675 4.340 -0.002 0.000 0.288 351 L C 0.177 176.986 176.870 -0.101 0.000 1.046 351 L CA -0.010 54.760 54.840 -0.116 0.000 0.805 351 L CB 1.104 43.047 42.059 -0.193 0.000 1.193 351 L HN 0.702 nan 8.230 nan 0.000 0.426 352 E N 4.473 124.620 120.200 -0.088 0.000 3.898 352 E HA 0.332 4.681 4.350 -0.002 0.000 0.219 352 E C -0.492 176.075 176.600 -0.055 0.000 1.207 352 E CA -0.265 56.099 56.400 -0.060 0.000 1.240 352 E CB 0.866 30.544 29.700 -0.037 0.000 1.239 352 E HN 0.531 nan 8.360 nan 0.000 0.422 353 I N 1.143 121.667 120.570 -0.077 0.000 2.696 353 I HA 0.208 4.377 4.170 -0.002 0.000 0.284 353 I C 0.526 176.648 176.117 0.009 0.000 1.129 353 I CA 0.269 61.543 61.300 -0.043 0.000 1.410 353 I CB 0.628 38.594 38.000 -0.057 0.000 1.399 353 I HN 0.043 nan 8.210 nan 0.000 0.579 354 R N 2.919 123.447 120.500 0.045 0.000 2.604 354 R HA 0.671 5.010 4.340 -0.002 0.000 0.281 354 R C -0.727 175.641 176.300 0.114 0.000 1.020 354 R CA -0.754 55.394 56.100 0.080 0.000 0.899 354 R CB 2.317 32.658 30.300 0.069 0.000 1.205 354 R HN 0.838 nan 8.270 nan 0.000 0.450 355 G N -0.258 108.631 108.800 0.148 0.000 2.660 355 G HA2 0.552 4.511 3.960 -0.002 0.000 0.294 355 G HA3 0.552 4.511 3.960 -0.002 0.000 0.294 355 G C -1.469 173.516 174.900 0.142 0.000 1.369 355 G CA -0.427 44.791 45.100 0.198 0.000 0.912 355 G HN 0.354 nan 8.290 nan 0.000 0.479 356 S N -0.120 115.674 115.700 0.158 0.000 2.584 356 S HA 0.665 5.135 4.470 -0.002 0.000 0.282 356 S C -1.552 173.102 174.600 0.090 0.000 1.138 356 S CA -0.763 57.435 58.200 -0.004 0.000 0.987 356 S CB 0.128 63.353 63.200 0.041 0.000 1.137 356 S HN 1.435 nan 8.310 nan 0.000 0.457 357 Y N 1.450 121.774 120.300 0.040 0.000 2.581 357 Y HA 0.706 5.256 4.550 -0.001 0.000 0.337 357 Y C -0.854 175.060 175.900 0.024 0.000 1.108 357 Y CA -1.252 56.863 58.100 0.025 0.000 1.033 357 Y CB 0.684 39.152 38.460 0.014 0.000 1.318 357 Y HN 0.505 nan 8.280 nan 0.000 0.459 358 N N 1.780 120.586 118.700 0.178 0.000 2.426 358 N HA 0.237 4.976 4.740 -0.002 0.000 0.257 358 N C -0.053 175.531 175.510 0.123 0.000 1.002 358 N CA -0.580 52.531 53.050 0.101 0.000 0.942 358 N CB 1.309 39.835 38.487 0.064 0.000 1.112 358 N HN 0.810 nan 8.380 nan 0.000 0.499 359 L N 2.634 123.917 121.223 0.101 0.000 2.353 359 L HA -0.083 4.256 4.340 -0.002 0.000 0.220 359 L C 2.127 178.993 176.870 -0.008 0.000 1.133 359 L CA 1.314 56.195 54.840 0.067 0.000 0.798 359 L CB -0.544 41.530 42.059 0.024 0.000 0.922 359 L HN 0.682 nan 8.230 nan 0.000 0.445 360 Q N -0.573 119.211 119.800 -0.026 0.000 2.226 360 Q HA -0.179 4.160 4.340 -0.002 0.000 0.204 360 Q C 1.396 177.381 176.000 -0.025 0.000 0.975 360 Q CA 1.343 57.116 55.803 -0.050 0.000 0.866 360 Q CB -0.133 28.576 28.738 -0.048 0.000 0.915 360 Q HN 0.599 nan 8.270 nan 0.000 0.440 361 D N 0.718 121.118 120.400 0.000 0.000 2.137 361 D HA -0.043 4.596 4.640 -0.002 0.000 0.202 361 D C 2.075 178.367 176.300 -0.013 0.000 0.970 361 D CA 0.613 54.613 54.000 -0.001 0.000 0.837 361 D CB -0.082 40.727 40.800 0.016 0.000 0.981 361 D HN 0.202 nan 8.370 nan 0.000 0.475 362 L N 0.399 121.617 121.223 -0.008 0.000 2.275 362 L HA -0.053 4.286 4.340 -0.002 0.000 0.215 362 L C 2.343 179.195 176.870 -0.031 0.000 1.119 362 L CA 0.515 55.336 54.840 -0.031 0.000 0.790 362 L CB -0.270 41.769 42.059 -0.033 0.000 0.919 362 L HN 0.012 nan 8.230 nan 0.000 0.443 363 L N -0.497 120.709 121.223 -0.029 0.000 2.209 363 L HA 0.001 4.340 4.340 -0.002 0.000 0.207 363 L C 2.831 179.683 176.870 -0.029 0.000 1.094 363 L CA 0.666 55.487 54.840 -0.033 0.000 0.790 363 L CB -0.508 41.521 42.059 -0.051 0.000 0.932 363 L HN 0.155 nan 8.230 nan 0.000 0.447 364 A N -0.096 122.707 122.820 -0.028 0.000 1.972 364 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 364 A C 2.165 179.735 177.584 -0.022 0.000 1.169 364 A CA 1.738 53.761 52.037 -0.023 0.000 0.635 364 A CB -0.305 18.682 19.000 -0.021 0.000 0.810 364 A HN 0.332 nan 8.150 nan 0.000 0.446 365 E N -0.063 120.122 120.200 -0.026 0.000 2.152 365 E HA -0.120 4.229 4.350 -0.002 0.000 0.192 365 E C 1.141 177.726 176.600 -0.026 0.000 0.983 365 E CA 1.040 57.422 56.400 -0.030 0.000 0.818 365 E CB -0.148 29.526 29.700 -0.043 0.000 0.758 365 E HN 0.488 nan 8.360 nan 0.000 0.467 366 D N -0.032 120.355 120.400 -0.023 0.000 2.349 366 D HA -0.004 4.635 4.640 -0.002 0.000 0.224 366 D C -0.437 175.860 176.300 -0.006 0.000 1.029 366 D CA 0.265 54.257 54.000 -0.014 0.000 0.879 366 D CB -0.027 40.767 40.800 -0.010 0.000 0.906 366 D HN 0.063 nan 8.370 nan 0.000 0.528 367 K N -0.555 119.840 120.400 -0.010 0.000 3.161 367 K HA -0.166 4.153 4.320 -0.002 0.000 0.270 367 K C -0.586 176.012 176.600 -0.004 0.000 1.115 367 K CA 0.306 56.590 56.287 -0.006 0.000 0.789 367 K CB -1.774 30.725 32.500 -0.001 0.000 1.256 367 K HN 0.273 nan 8.250 nan 0.000 0.492 368 L N -0.624 120.593 121.223 -0.010 0.000 2.511 368 L HA 0.193 4.532 4.340 -0.002 0.000 0.252 368 L C -1.444 175.412 176.870 -0.023 0.000 1.542 368 L CA -1.444 53.388 54.840 -0.012 0.000 0.822 368 L CB 0.788 42.841 42.059 -0.009 0.000 1.050 368 L HN -0.066 nan 8.230 nan 0.000 0.516 369 P HA -0.112 nan 4.420 nan 0.000 0.215 369 P C 1.192 178.471 177.300 -0.034 0.000 1.157 369 P CA 1.338 64.422 63.100 -0.027 0.000 0.859 369 P CB 0.037 31.726 31.700 -0.019 0.000 0.786 370 T N -3.435 111.103 114.554 -0.028 0.000 3.312 370 T HA 0.188 4.537 4.350 -0.002 0.000 0.251 370 T C 1.500 176.179 174.700 -0.035 0.000 1.012 370 T CA -0.290 61.792 62.100 -0.029 0.000 0.925 370 T CB -1.023 67.834 68.868 -0.018 0.000 1.049 370 T HN -0.075 nan 8.240 nan 0.000 0.583 371 L N 0.128 121.323 121.223 -0.047 0.000 2.049 371 L HA 0.363 4.702 4.340 -0.002 0.000 0.203 371 L C 1.524 178.340 176.870 -0.090 0.000 1.074 371 L CA 1.195 56.003 54.840 -0.053 0.000 0.749 371 L CB 0.083 42.111 42.059 -0.052 0.000 0.907 371 L HN 0.342 nan 8.230 nan 0.000 0.439 372 L N -0.232 120.905 121.223 -0.142 0.000 3.017 372 L HA 0.318 4.657 4.340 -0.002 0.000 0.255 372 L C 0.865 177.646 176.870 -0.147 0.000 1.247 372 L CA -0.363 54.344 54.840 -0.221 0.000 1.038 372 L CB -0.002 41.801 42.059 -0.426 0.000 1.380 372 L HN 0.203 nan 8.230 nan 0.000 0.548 373 G N -0.438 108.310 108.800 -0.086 0.000 2.531 373 G HA2 0.381 4.340 3.960 -0.002 0.000 0.253 373 G HA3 0.381 4.340 3.960 -0.002 0.000 0.253 373 G C 1.078 175.956 174.900 -0.036 0.000 1.439 373 G CA 0.334 45.401 45.100 -0.055 0.000 1.056 373 G HN 0.136 nan 8.290 nan 0.000 0.555 374 A N -1.050 121.756 122.820 -0.023 0.000 1.972 374 A HA 0.023 4.342 4.320 -0.002 0.000 0.219 374 A C 1.772 179.351 177.584 -0.008 0.000 1.169 374 A CA 1.722 53.752 52.037 -0.013 0.000 0.635 374 A CB -0.291 18.704 19.000 -0.009 0.000 0.810 374 A HN 0.619 nan 8.150 nan 0.000 0.446 375 E N -0.271 119.923 120.200 -0.010 0.000 2.423 375 E HA 0.411 4.760 4.350 -0.002 0.000 0.198 375 E C 0.050 176.647 176.600 -0.005 0.000 1.038 375 E CA -0.181 56.216 56.400 -0.005 0.000 1.011 375 E CB 0.298 29.995 29.700 -0.005 0.000 1.118 375 E HN 0.552 nan 8.360 nan 0.000 0.451 376 A N 1.668 124.484 122.820 -0.008 0.000 2.327 376 A HA 0.216 4.535 4.320 -0.002 0.000 0.283 376 A C 0.086 177.673 177.584 0.006 0.000 1.127 376 A CA -0.553 51.481 52.037 -0.005 0.000 0.810 376 A CB 0.394 19.384 19.000 -0.018 0.000 1.066 376 A HN 0.085 nan 8.150 nan 0.000 0.492 377 N N 2.522 121.226 118.700 0.007 0.000 2.719 377 N HA 0.254 4.993 4.740 -0.002 0.000 0.243 377 N C -0.625 174.884 175.510 -0.002 0.000 1.104 377 N CA -0.070 52.981 53.050 0.002 0.000 0.981 377 N CB -0.192 38.294 38.487 -0.002 0.000 1.290 377 N HN 0.559 nan 8.380 nan 0.000 0.513 378 L N 2.222 123.445 121.223 0.001 0.000 3.108 378 L HA 0.305 4.644 4.340 -0.002 0.000 0.251 378 L C 1.179 178.008 176.870 -0.069 0.000 1.315 378 L CA -0.313 54.513 54.840 -0.023 0.000 1.048 378 L CB -0.037 42.041 42.059 0.032 0.000 1.432 378 L HN 0.301 nan 8.230 nan 0.000 0.543 379 N N 0.840 119.507 118.700 -0.055 0.000 2.520 379 N HA -0.077 4.662 4.740 -0.002 0.000 0.185 379 N C 0.804 176.257 175.510 -0.095 0.000 1.068 379 N CA 0.772 53.786 53.050 -0.061 0.000 0.911 379 N CB 0.185 38.647 38.487 -0.041 0.000 0.961 379 N HN 0.424 nan 8.380 nan 0.000 0.446 380 N N 0.616 119.246 118.700 -0.117 0.000 2.322 380 N HA 0.164 4.903 4.740 -0.002 0.000 0.216 380 N C 1.201 176.553 175.510 -0.263 0.000 1.144 380 N CA -0.001 52.978 53.050 -0.119 0.000 0.830 380 N CB 0.466 38.919 38.487 -0.058 0.000 1.034 380 N HN 0.367 nan 8.380 nan 0.000 0.484 381 I N -1.349 118.977 120.570 -0.406 0.000 3.039 381 I HA 0.164 4.333 4.170 -0.002 0.000 0.270 381 I C 1.309 177.230 176.117 -0.326 0.000 1.150 381 I CA 0.283 61.130 61.300 -0.756 0.000 1.448 381 I CB 0.377 37.923 38.000 -0.756 0.000 1.197 381 I HN 0.015 nan 8.210 nan 0.000 0.450 382 G N -0.803 107.862 108.800 -0.225 0.000 2.921 382 G HA2 0.111 4.070 3.960 -0.002 0.000 0.291 382 G HA3 0.111 4.070 3.960 -0.002 0.000 0.291 382 G C -0.421 174.275 174.900 -0.340 0.000 1.370 382 G CA -0.157 44.719 45.100 -0.373 0.000 0.847 382 G HN -0.093 nan 8.290 nan 0.000 0.532 383 D N -0.579 119.555 120.400 -0.442 0.000 2.144 383 D HA -0.012 4.627 4.640 -0.002 0.000 0.199 383 D C 1.539 177.707 176.300 -0.220 0.000 0.984 383 D CA 1.741 55.570 54.000 -0.285 0.000 0.834 383 D CB 0.076 40.710 40.800 -0.277 0.000 0.955 383 D HN 0.519 nan 8.370 nan 0.000 0.465 384 T N -2.104 112.288 114.554 -0.271 0.000 2.942 384 T HA 0.337 4.686 4.350 -0.002 0.000 0.289 384 T C -0.097 174.635 174.700 0.052 0.000 1.044 384 T CA -1.047 61.005 62.100 -0.081 0.000 1.023 384 T CB 1.429 70.285 68.868 -0.019 0.000 1.123 384 T HN -0.160 nan 8.240 nan 0.000 0.512 385 N N 3.189 121.937 118.700 0.081 0.000 2.406 385 N HA 0.228 4.967 4.740 -0.002 0.000 0.265 385 N C -2.261 173.351 175.510 0.170 0.000 1.203 385 N CA -1.628 51.478 53.050 0.094 0.000 0.945 385 N CB 0.039 38.553 38.487 0.044 0.000 1.165 385 N HN 0.413 nan 8.380 nan 0.000 0.485 386 P HA 0.026 nan 4.420 nan 0.000 0.266 386 P C -0.505 176.788 177.300 -0.012 0.000 1.215 386 P CA -0.252 62.886 63.100 0.063 0.000 0.763 386 P CB 0.474 32.184 31.700 0.017 0.000 0.806 387 R N 4.110 124.569 120.500 -0.068 0.000 2.288 387 R HA 0.207 4.546 4.340 -0.002 0.000 0.330 387 R C -0.848 175.421 176.300 -0.052 0.000 1.069 387 R CA -0.276 55.798 56.100 -0.043 0.000 0.941 387 R CB -0.772 29.505 30.300 -0.038 0.000 0.998 387 R HN 0.217 nan 8.270 nan 0.000 0.452 388 V N 6.244 126.157 119.914 -0.003 0.000 2.389 388 V HA 0.251 4.370 4.120 -0.002 0.000 0.264 388 V C 1.422 177.527 176.094 0.018 0.000 1.049 388 V CA 0.429 62.753 62.300 0.039 0.000 0.932 388 V CB 0.856 32.713 31.823 0.057 0.000 1.011 388 V HN 0.996 nan 8.190 nan 0.000 0.475 389 G N 4.852 113.673 108.800 0.034 0.000 2.425 389 G HA2 0.028 3.987 3.960 -0.002 0.000 0.213 389 G HA3 0.028 3.987 3.960 -0.002 0.000 0.213 389 G C 0.397 175.321 174.900 0.040 0.000 1.201 389 G CA 0.558 45.675 45.100 0.028 0.000 0.799 389 G HN 0.761 nan 8.290 nan 0.000 0.534 390 E N -1.269 118.980 120.200 0.082 0.000 2.356 390 E HA 0.543 4.892 4.350 -0.002 0.000 0.275 390 E C -1.898 174.792 176.600 0.151 0.000 0.904 390 E CA -0.922 55.529 56.400 0.085 0.000 0.757 390 E CB 2.424 32.171 29.700 0.079 0.000 1.232 390 E HN -0.067 nan 8.360 nan 0.000 0.442 391 V N 3.476 123.457 119.914 0.112 0.000 2.289 391 V HA 0.287 4.406 4.120 -0.002 0.000 0.272 391 V C -0.377 175.790 176.094 0.122 0.000 1.026 391 V CA -0.604 61.806 62.300 0.182 0.000 0.807 391 V CB 0.697 32.544 31.823 0.040 0.000 1.044 391 V HN 0.680 nan 8.190 nan 0.000 0.443 392 L N 4.578 125.877 121.223 0.126 0.000 2.307 392 L HA 0.567 4.906 4.340 -0.002 0.000 0.282 392 L C 0.116 176.919 176.870 -0.112 0.000 1.051 392 L CA -0.118 54.709 54.840 -0.023 0.000 0.804 392 L CB 1.151 43.184 42.059 -0.042 0.000 1.197 392 L HN 0.595 nan 8.230 nan 0.000 0.431 393 N N 2.824 121.337 118.700 -0.311 0.000 2.479 393 N HA 0.213 4.952 4.740 -0.002 0.000 0.261 393 N C -1.423 173.801 175.510 -0.477 0.000 0.979 393 N CA -0.310 52.514 53.050 -0.376 0.000 0.930 393 N CB 1.747 39.980 38.487 -0.423 0.000 1.172 393 N HN 0.381 nan 8.380 nan 0.000 0.499 394 S N 2.985 118.514 115.700 -0.284 0.000 2.478 394 S HA 0.590 5.059 4.470 -0.002 0.000 0.312 394 S C -0.493 174.154 174.600 0.079 0.000 1.094 394 S CA -0.531 57.601 58.200 -0.114 0.000 1.081 394 S CB 0.599 63.751 63.200 -0.080 0.000 1.007 394 S HN 0.369 nan 8.310 nan 0.000 0.475 395 I N 3.718 124.363 120.570 0.126 0.000 2.740 395 I HA 0.573 4.742 4.170 -0.002 0.000 0.303 395 I C -1.259 174.953 176.117 0.157 0.000 1.044 395 I CA -1.028 60.387 61.300 0.190 0.000 1.064 395 I CB 2.090 40.245 38.000 0.258 0.000 1.249 395 I HN 0.405 nan 8.210 nan 0.000 0.433 396 L N 6.391 127.689 121.223 0.125 0.000 2.518 396 L HA 0.487 4.827 4.340 -0.002 0.000 0.262 396 L C -1.611 175.261 176.870 0.004 0.000 0.982 396 L CA -0.109 54.778 54.840 0.078 0.000 0.873 396 L CB 1.411 43.530 42.059 0.101 0.000 1.198 396 L HN 0.512 nan 8.230 nan 0.000 0.427 397 L N 4.175 125.349 121.223 -0.081 0.000 2.275 397 L HA 0.585 4.924 4.340 -0.002 0.000 0.288 397 L C -0.642 176.155 176.870 -0.123 0.000 1.046 397 L CA -0.104 54.624 54.840 -0.185 0.000 0.805 397 L CB 0.944 42.751 42.059 -0.420 0.000 1.193 397 L HN 0.650 nan 8.230 nan 0.000 0.426 398 E N 5.604 125.748 120.200 -0.094 0.000 2.218 398 E HA 0.387 4.736 4.350 -0.002 0.000 0.263 398 E C -1.520 175.026 176.600 -0.090 0.000 0.879 398 E CA -0.757 55.585 56.400 -0.095 0.000 0.762 398 E CB 2.798 32.446 29.700 -0.086 0.000 1.166 398 E HN 0.316 nan 8.360 nan 0.000 0.415 399 L N 3.385 124.549 121.223 -0.097 0.000 2.349 399 L HA 0.446 4.785 4.340 -0.002 0.000 0.278 399 L C -1.116 175.699 176.870 -0.091 0.000 0.996 399 L CA -0.201 54.580 54.840 -0.099 0.000 0.825 399 L CB 1.036 43.017 42.059 -0.130 0.000 1.243 399 L HN 0.402 nan 8.230 nan 0.000 0.412 400 K N 2.667 123.017 120.400 -0.084 0.000 2.444 400 K HA 0.873 5.192 4.320 -0.002 0.000 0.252 400 K C -0.837 175.741 176.600 -0.037 0.000 0.993 400 K CA -0.866 55.390 56.287 -0.052 0.000 0.847 400 K CB 1.838 34.312 32.500 -0.042 0.000 1.340 400 K HN 0.613 nan 8.250 nan 0.000 0.446 401 A N 0.360 123.185 122.820 0.008 0.000 2.445 401 A HA 0.324 4.643 4.320 -0.002 0.000 0.242 401 A C 1.109 178.720 177.584 0.044 0.000 1.075 401 A CA 0.484 52.556 52.037 0.057 0.000 0.777 401 A CB 0.041 19.093 19.000 0.087 0.000 1.013 401 A HN 0.894 nan 8.150 nan 0.000 0.493 402 G N 0.811 109.657 108.800 0.076 0.000 2.396 402 G HA2 0.178 4.137 3.960 -0.002 0.000 0.214 402 G HA3 0.178 4.137 3.960 -0.002 0.000 0.214 402 G C 0.553 175.482 174.900 0.047 0.000 1.166 402 G CA 0.903 46.036 45.100 0.055 0.000 0.793 402 G HN 0.791 nan 8.290 nan 0.000 0.533 418 E N 1.920 122.103 120.200 -0.029 0.000 2.152 418 E HA 0.571 4.920 4.350 -0.002 0.000 0.285 418 E C -0.572 176.009 176.600 -0.031 0.000 1.043 418 E CA 0.035 56.418 56.400 -0.028 0.000 0.839 418 E CB 1.257 30.944 29.700 -0.021 0.000 1.069 418 E HN 0.322 nan 8.360 nan 0.000 0.399 419 A N 4.164 126.963 122.820 -0.036 0.000 2.452 419 A HA 0.562 4.881 4.320 -0.002 0.000 0.285 419 A C -0.984 176.580 177.584 -0.033 0.000 1.209 419 A CA -0.766 51.248 52.037 -0.038 0.000 0.940 419 A CB 0.780 19.750 19.000 -0.050 0.000 1.440 419 A HN 0.554 nan 8.150 nan 0.000 0.480 420 L N 0.616 121.818 121.223 -0.035 0.000 2.265 420 L HA 0.516 4.855 4.340 -0.002 0.000 0.289 420 L C -1.432 175.399 176.870 -0.065 0.000 1.033 420 L CA -0.472 54.341 54.840 -0.045 0.000 0.814 420 L CB 0.700 42.733 42.059 -0.044 0.000 1.203 420 L HN 0.495 nan 8.230 nan 0.000 0.423 421 D N 4.370 124.733 120.400 -0.062 0.000 2.339 421 D HA 0.274 4.913 4.640 -0.002 0.000 0.256 421 D C -0.550 175.694 176.300 -0.092 0.000 1.214 421 D CA 0.383 54.344 54.000 -0.065 0.000 0.877 421 D CB 1.132 41.900 40.800 -0.053 0.000 1.111 421 D HN 0.306 nan 8.370 nan 0.000 0.478 422 V N 3.304 123.158 119.914 -0.098 0.000 2.357 422 V HA 0.410 4.529 4.120 -0.002 0.000 0.284 422 V C 0.132 176.184 176.094 -0.069 0.000 1.018 422 V CA -0.479 61.752 62.300 -0.116 0.000 0.841 422 V CB 1.624 33.343 31.823 -0.173 0.000 0.991 422 V HN 0.490 nan 8.190 nan 0.000 0.437 423 T N 6.219 120.735 114.554 -0.063 0.000 2.890 423 T HA 0.524 4.873 4.350 -0.002 0.000 0.295 423 T C -0.498 174.175 174.700 -0.045 0.000 0.993 423 T CA -0.379 61.692 62.100 -0.049 0.000 0.979 423 T CB 1.283 70.124 68.868 -0.046 0.000 0.967 423 T HN 0.242 nan 8.240 nan 0.000 0.441 424 L N 3.860 125.052 121.223 -0.051 0.000 2.358 424 L HA 0.307 4.647 4.340 -0.002 0.000 0.274 424 L C 1.301 178.244 176.870 0.121 0.000 1.136 424 L CA 0.053 54.871 54.840 -0.036 0.000 0.970 424 L CB 0.274 42.143 42.059 -0.316 0.000 1.314 424 L HN 0.817 nan 8.230 nan 0.000 0.427 425 S N -1.398 114.313 115.700 0.018 0.000 2.602 425 S HA 0.388 4.857 4.470 -0.002 0.000 0.240 425 S C 0.404 174.658 174.600 -0.575 0.000 0.992 425 S CA -0.069 58.068 58.200 -0.106 0.000 0.971 425 S CB 0.026 63.223 63.200 -0.005 0.000 0.855 425 S HN 0.466 nan 8.310 nan 0.000 0.481 426 S N -0.316 115.122 115.700 -0.438 0.000 2.596 426 S HA 0.708 5.177 4.470 -0.002 0.000 0.270 426 S C -3.501 171.173 174.600 0.125 0.000 1.155 426 S CA -1.554 56.378 58.200 -0.446 0.000 0.827 426 S CB 0.540 63.658 63.200 -0.137 0.000 1.130 426 S HN -0.006 nan 8.310 nan 0.000 0.467 427 P HA 0.321 nan 4.420 nan 0.000 0.264 427 P C -0.785 176.706 177.300 0.319 0.000 1.179 427 P CA 0.274 63.571 63.100 0.328 0.000 0.763 427 P CB -0.172 31.642 31.700 0.190 0.000 0.806 428 F N 0.230 120.319 119.950 0.231 0.000 2.711 428 F HA 0.651 5.177 4.527 -0.002 0.000 0.313 428 F C -1.751 174.170 175.800 0.202 0.000 1.141 428 F CA -1.510 56.594 58.000 0.173 0.000 0.941 428 F CB 0.733 39.842 39.000 0.181 0.000 1.349 428 F HN -0.047 nan 8.300 nan 0.000 0.464 429 L N 2.195 123.642 121.223 0.373 0.000 2.344 429 L HA 0.730 5.069 4.340 -0.002 0.000 0.272 429 L C -0.768 176.429 176.870 0.545 0.000 1.035 429 L CA -0.912 54.108 54.840 0.300 0.000 0.807 429 L CB 1.579 43.655 42.059 0.027 0.000 1.237 429 L HN 0.813 nan 8.230 nan 0.000 0.442 430 F N 0.180 120.365 119.950 0.392 0.000 2.629 430 F HA 0.962 5.488 4.527 -0.002 0.000 0.316 430 F C -0.888 175.087 175.800 0.292 0.000 1.081 430 F CA -1.093 57.110 58.000 0.338 0.000 0.954 430 F CB 1.934 41.124 39.000 0.316 0.000 1.337 430 F HN 0.497 nan 8.300 nan 0.000 0.474 431 A N 2.258 125.315 122.820 0.396 0.000 2.532 431 A HA 0.651 4.970 4.320 -0.002 0.000 0.296 431 A C -1.734 176.029 177.584 0.298 0.000 1.058 431 A CA -0.567 51.614 52.037 0.240 0.000 0.729 431 A CB 0.879 20.019 19.000 0.235 0.000 1.285 431 A HN 0.830 nan 8.150 nan 0.000 0.396 432 I N 3.223 123.951 120.570 0.263 0.000 2.297 432 I HA 0.293 4.462 4.170 -0.002 0.000 0.291 432 I C -0.599 175.678 176.117 0.267 0.000 1.033 432 I CA -0.406 61.032 61.300 0.229 0.000 1.253 432 I CB 0.729 38.803 38.000 0.123 0.000 1.396 432 I HN 0.743 nan 8.210 nan 0.000 0.476 433 Y N 6.962 127.347 120.300 0.141 0.000 2.420 433 Y HA 0.457 5.006 4.550 -0.001 0.000 0.334 433 Y C -0.385 175.605 175.900 0.150 0.000 1.094 433 Y CA -0.715 57.460 58.100 0.125 0.000 1.126 433 Y CB 1.416 39.931 38.460 0.091 0.000 1.217 433 Y HN 0.424 nan 8.280 nan 0.000 0.462 434 E N 4.885 124.698 120.200 -0.646 0.000 2.145 434 E HA 0.163 4.512 4.350 -0.002 0.000 0.270 434 E C -0.246 175.754 176.600 -1.001 0.000 0.906 434 E CA -0.224 55.860 56.400 -0.527 0.000 0.761 434 E CB 1.888 31.556 29.700 -0.052 0.000 1.116 434 E HN 1.037 nan 8.360 nan 0.000 0.408 435 Q N 2.257 121.697 119.800 -0.601 0.000 2.046 435 Q HA -0.160 4.179 4.340 -0.002 0.000 0.200 435 Q C 0.638 176.562 176.000 -0.127 0.000 0.975 435 Q CA 1.840 57.460 55.803 -0.304 0.000 0.836 435 Q CB 0.214 28.936 28.738 -0.026 0.000 0.896 435 Q HN 0.483 nan 8.270 nan 0.000 0.428 436 D N 0.064 120.407 120.400 -0.094 0.000 2.091 436 D HA -0.123 4.516 4.640 -0.002 0.000 0.199 436 D C 2.142 178.427 176.300 -0.025 0.000 0.980 436 D CA 1.726 55.708 54.000 -0.030 0.000 0.831 436 D CB -0.182 40.609 40.800 -0.014 0.000 0.987 436 D HN 0.192 nan 8.370 nan 0.000 0.460 437 S N -0.643 115.031 115.700 -0.043 0.000 2.406 437 S HA 0.108 4.577 4.470 -0.002 0.000 0.228 437 S C 1.833 176.410 174.600 -0.038 0.000 1.020 437 S CA 0.719 58.900 58.200 -0.032 0.000 0.965 437 S CB -0.320 62.865 63.200 -0.025 0.000 0.798 437 S HN 0.396 nan 8.310 nan 0.000 0.488 438 G N 0.892 109.646 108.800 -0.077 0.000 2.248 438 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.263 438 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.263 438 G C -0.084 174.824 174.900 0.014 0.000 1.082 438 G CA 0.158 45.284 45.100 0.043 0.000 0.863 438 G HN 0.621 nan 8.290 nan 0.000 0.495 439 T N 0.846 115.315 114.554 -0.141 0.000 2.758 439 T HA 0.532 4.881 4.350 -0.002 0.000 0.285 439 T C 0.701 175.256 174.700 -0.241 0.000 0.981 439 T CA -0.461 61.474 62.100 -0.274 0.000 0.965 439 T CB 1.326 69.878 68.868 -0.527 0.000 0.927 439 T HN 0.309 nan 8.240 nan 0.000 0.448 440 L N 4.895 126.005 121.223 -0.188 0.000 2.401 440 L HA 0.217 4.556 4.340 -0.002 0.000 0.283 440 L C 1.637 178.328 176.870 -0.298 0.000 1.151 440 L CA -0.481 54.278 54.840 -0.134 0.000 0.942 440 L CB 0.020 41.964 42.059 -0.191 0.000 1.283 440 L HN 0.800 nan 8.230 nan 0.000 0.442 441 H N 2.863 121.835 119.070 -0.163 0.000 2.462 441 H HA 0.075 4.630 4.556 -0.002 0.000 0.292 441 H C -0.257 174.690 175.328 -0.635 0.000 1.049 441 H CA 1.039 56.892 56.048 -0.325 0.000 1.334 441 H CB 0.317 29.961 29.762 -0.196 0.000 1.404 441 H HN 0.301 nan 8.280 nan 0.000 0.544 442 F N -0.053 119.846 119.950 -0.084 0.000 2.619 442 F HA 0.344 4.869 4.527 -0.002 0.000 0.308 442 F C -1.069 174.562 175.800 -0.281 0.000 1.097 442 F CA -1.244 56.663 58.000 -0.154 0.000 0.953 442 F CB 2.038 40.981 39.000 -0.096 0.000 1.287 442 F HN -0.203 nan 8.300 nan 0.000 0.446 443 L N 0.601 121.647 121.223 -0.295 0.000 2.549 443 L HA 1.100 5.439 4.340 -0.002 0.000 0.259 443 L C -0.830 175.431 176.870 -1.015 0.000 0.934 443 L CA -0.521 53.849 54.840 -0.784 0.000 0.865 443 L CB 1.758 43.132 42.059 -1.143 0.000 1.352 443 L HN 0.778 nan 8.230 nan 0.000 0.410 444 G N 0.992 108.986 108.800 -1.345 0.000 2.559 444 G HA2 0.606 4.565 3.960 -0.002 0.000 0.291 444 G HA3 0.606 4.565 3.960 -0.002 0.000 0.291 444 G C -2.216 172.406 174.900 -0.463 0.000 1.424 444 G CA -1.078 43.549 45.100 -0.788 0.000 0.786 444 G HN 0.768 nan 8.290 nan 0.000 0.485 445 R N -0.085 120.452 120.500 0.061 0.000 2.445 445 R HA 0.626 4.966 4.340 -0.002 0.000 0.308 445 R C -1.233 175.113 176.300 0.077 0.000 0.961 445 R CA -0.534 55.635 56.100 0.115 0.000 0.862 445 R CB 1.894 32.281 30.300 0.145 0.000 1.144 445 R HN 0.288 nan 8.270 nan 0.000 0.447 446 V N 5.558 125.387 119.914 -0.142 0.000 2.275 446 V HA 0.160 4.279 4.120 -0.002 0.000 0.272 446 V C 0.248 176.197 176.094 -0.240 0.000 1.028 446 V CA -0.406 61.705 62.300 -0.314 0.000 0.810 446 V CB 0.992 32.343 31.823 -0.786 0.000 1.043 446 V HN 0.896 nan 8.190 nan 0.000 0.453 447 N N 2.713 121.367 118.700 -0.077 0.000 2.395 447 N HA 0.042 4.781 4.740 -0.002 0.000 0.175 447 N C 0.521 176.057 175.510 0.044 0.000 1.029 447 N CA 0.313 53.386 53.050 0.038 0.000 0.897 447 N CB 0.260 38.773 38.487 0.043 0.000 0.991 447 N HN 0.553 nan 8.380 nan 0.000 0.441 448 N N -0.415 118.210 118.700 -0.125 0.000 2.542 448 N HA 0.203 4.942 4.740 -0.002 0.000 0.288 448 N C -2.981 172.344 175.510 -0.308 0.000 1.115 448 N CA -1.423 51.489 53.050 -0.229 0.000 0.924 448 N CB 1.589 40.029 38.487 -0.078 0.000 1.526 448 N HN -0.204 nan 8.380 nan 0.000 0.515 449 P HA 0.190 nan 4.420 nan 0.000 0.214 449 P C -0.418 176.767 177.300 -0.191 0.000 1.807 449 P CA 0.150 63.058 63.100 -0.319 0.000 0.921 449 P CB -0.180 31.292 31.700 -0.380 0.000 1.835 450 Q N 0.000 119.718 119.800 -0.137 0.000 2.315 450 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 450 Q CA 0.000 55.753 55.803 -0.083 0.000 1.022 450 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481