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 2xqy_1_E DATA FIRST_RESID 131 DATA SEQUENCE GVRRTYTTAA VWPAEVAVLA DAEARcPAAV FNVTLGEAFL GLRVALRSFL DATA SEQUENCE PLEVIISAER MRMIAPPXXX XXXXXXXXXX GRFHVYTLGF LSDGAMHQTM DATA SEQUENCE RDVAAYVHES DDYLAQLSAA HAAALAAVVQ PGPYYFYRAA VRLGVAAFVF DATA SEQUENCE SEAARRDRRA SAPALLRVES DARLLSRLLM RAAGcPAGFA GLFDGRAERV DATA SEQUENCE PVAPADQLRA AWTFGEDPAP RLDLARATVA EAYRRSVRGK PFDQQALFFA DATA SEQUENCE VALLLRAGGP GDARETLLRT TAMcTAERAA AAAELTRAAL SPTAAWNEPF DATA SEQUENCE SLLDVLSPcA VSLRRDLXXX ATLANLGAAA RLALAPAGXX XXXXXXXXXX DATA SEQUENCE XXEEEDPVAR AAPEIPAEAL LALPLRGGAS FVFTRRRPDc GPAYTLGGVD DATA SEQUENCE IANPLVLAIV SNXXXXcDYT DRMPESQHLP ATDNPSVCVY CDCVFVRYSS DATA SEQUENCE AGTILETVLI ESKDMEEQLM AGXXXXXPSF NPTLHGGDVK ALMLFPNGTV DATA SEQUENCE VDL 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 131 G HA2 0.000 nan 3.960 nan 0.000 0.244 131 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 131 G C 0.000 174.903 174.900 0.005 0.000 0.946 131 G CA 0.000 45.102 45.100 0.004 0.000 0.502 132 V N 3.870 123.790 119.914 0.009 0.000 2.479 132 V HA 0.208 4.328 4.120 -0.000 0.000 0.281 132 V C 0.662 176.764 176.094 0.014 0.000 1.031 132 V CA -0.311 61.996 62.300 0.011 0.000 1.038 132 V CB 0.677 32.508 31.823 0.013 0.000 0.981 132 V HN 0.600 nan 8.190 nan 0.000 0.478 133 R N 6.237 126.743 120.500 0.011 0.000 2.296 133 R HA 0.427 4.767 4.340 -0.000 0.000 0.323 133 R C -0.117 176.194 176.300 0.019 0.000 1.067 133 R CA 0.027 56.135 56.100 0.012 0.000 0.946 133 R CB 0.316 30.620 30.300 0.006 0.000 0.991 133 R HN 0.647 nan 8.270 nan 0.000 0.448 134 R N 0.335 120.852 120.500 0.029 0.000 2.771 134 R HA 0.282 4.622 4.340 -0.000 0.000 0.274 134 R C -0.344 175.988 176.300 0.054 0.000 0.987 134 R CA -0.760 55.363 56.100 0.040 0.000 0.908 134 R CB 2.165 32.494 30.300 0.048 0.000 1.213 134 R HN 0.559 nan 8.270 nan 0.000 0.468 135 T N -1.158 113.427 114.554 0.052 0.000 2.817 135 T HA 0.225 4.575 4.350 -0.000 0.000 0.293 135 T C -0.555 174.208 174.700 0.105 0.000 0.964 135 T CA -0.434 61.707 62.100 0.067 0.000 1.085 135 T CB 0.699 69.593 68.868 0.043 0.000 0.921 135 T HN 0.506 nan 8.240 nan 0.000 0.502 136 Y N 3.752 124.055 120.300 0.005 0.000 2.385 136 Y HA 0.436 4.986 4.550 -0.000 0.000 0.341 136 Y C 0.296 176.231 175.900 0.058 0.000 0.965 136 Y CA -0.508 57.608 58.100 0.026 0.000 1.180 136 Y CB 0.672 39.141 38.460 0.015 0.000 1.139 136 Y HN 0.989 nan 8.280 nan 0.000 0.502 137 T N 1.875 116.315 114.554 -0.190 0.000 2.792 137 T HA 0.502 4.852 4.350 -0.000 0.000 0.280 137 T C -0.344 174.263 174.700 -0.156 0.000 0.990 137 T CA -0.797 61.263 62.100 -0.065 0.000 0.960 137 T CB 1.373 70.228 68.868 -0.022 0.000 0.939 137 T HN 0.499 nan 8.240 nan 0.000 0.439 138 T N 2.867 117.430 114.554 0.014 0.000 2.794 138 T HA 0.698 5.048 4.350 -0.000 0.000 0.280 138 T C -0.013 174.706 174.700 0.031 0.000 0.987 138 T CA -0.570 61.545 62.100 0.024 0.000 0.993 138 T CB 1.152 70.112 68.868 0.154 0.000 0.939 138 T HN 1.018 nan 8.240 nan 0.000 0.449 139 A N 2.278 125.104 122.820 0.010 0.000 2.317 139 A HA 0.843 5.163 4.320 -0.000 0.000 0.327 139 A C -0.223 177.377 177.584 0.027 0.000 1.178 139 A CA -0.830 51.219 52.037 0.019 0.000 0.817 139 A CB 0.728 19.732 19.000 0.007 0.000 1.189 139 A HN 1.007 nan 8.150 nan 0.000 0.489 140 A N 2.195 125.037 122.820 0.038 0.000 2.332 140 A HA 0.618 4.938 4.320 -0.000 0.000 0.300 140 A C -0.924 176.701 177.584 0.070 0.000 1.153 140 A CA -0.388 51.679 52.037 0.051 0.000 0.764 140 A CB 1.007 20.041 19.000 0.056 0.000 1.174 140 A HN 1.027 nan 8.150 nan 0.000 0.467 141 V N 3.661 123.613 119.914 0.062 0.000 2.347 141 V HA 0.210 4.330 4.120 -0.000 0.000 0.280 141 V C 0.132 176.291 176.094 0.109 0.000 1.021 141 V CA -0.728 61.616 62.300 0.073 0.000 0.847 141 V CB 1.227 33.065 31.823 0.024 0.000 0.990 141 V HN 0.934 nan 8.190 nan 0.000 0.444 142 W N 8.529 129.808 121.300 -0.034 0.000 2.443 142 W HA 0.086 4.746 4.660 -0.000 0.000 0.335 142 W C -1.504 174.972 176.519 -0.072 0.000 1.382 142 W CA -1.125 56.189 57.345 -0.052 0.000 1.305 142 W CB 1.251 30.708 29.460 -0.005 0.000 1.283 142 W HN 0.527 nan 8.180 nan 0.000 0.567 143 P HA 0.071 nan 4.420 nan 0.000 0.249 143 P C -0.443 176.566 177.300 -0.485 0.000 1.241 143 P CA 0.388 63.189 63.100 -0.497 0.000 0.781 143 P CB 0.206 31.637 31.700 -0.449 0.000 1.088 144 A N -0.274 122.173 122.820 -0.621 0.000 2.374 144 A HA 0.423 4.743 4.320 -0.000 0.000 0.317 144 A C -0.100 177.441 177.584 -0.072 0.000 1.094 144 A CA -0.710 51.164 52.037 -0.272 0.000 0.765 144 A CB 1.252 20.136 19.000 -0.195 0.000 1.268 144 A HN -0.069 nan 8.150 nan 0.000 0.438 145 E N 0.475 120.648 120.200 -0.045 0.000 2.392 145 E HA 0.289 4.639 4.350 -0.000 0.000 0.264 145 E C -0.744 175.834 176.600 -0.037 0.000 1.024 145 E CA 0.059 56.441 56.400 -0.031 0.000 0.903 145 E CB 1.013 30.692 29.700 -0.035 0.000 0.963 145 E HN 0.359 nan 8.360 nan 0.000 0.432 146 V N 2.369 122.212 119.914 -0.119 0.000 2.394 146 V HA 0.240 4.360 4.120 -0.000 0.000 0.282 146 V C 0.214 176.237 176.094 -0.118 0.000 1.031 146 V CA -0.631 61.531 62.300 -0.231 0.000 0.881 146 V CB 1.325 32.772 31.823 -0.627 0.000 0.982 146 V HN 0.735 nan 8.190 nan 0.000 0.451 147 A N 5.681 128.470 122.820 -0.051 0.000 2.805 147 A HA 0.469 4.789 4.320 -0.000 0.000 0.301 147 A C 0.087 177.670 177.584 -0.002 0.000 1.557 147 A CA -0.250 51.779 52.037 -0.013 0.000 1.254 147 A CB -0.488 18.523 19.000 0.020 0.000 1.114 147 A HN 0.698 nan 8.150 nan 0.000 0.553 148 V N 4.191 124.091 119.914 -0.023 0.000 2.529 148 V HA -0.019 4.101 4.120 -0.000 0.000 0.292 148 V C 1.280 177.387 176.094 0.021 0.000 1.028 148 V CA 0.542 62.838 62.300 -0.007 0.000 1.074 148 V CB 0.471 32.275 31.823 -0.032 0.000 0.958 148 V HN 0.867 nan 8.190 nan 0.000 0.481 149 L N 3.705 124.957 121.223 0.049 0.000 2.445 149 L HA 0.572 4.912 4.340 -0.000 0.000 0.207 149 L C 0.849 177.757 176.870 0.064 0.000 1.053 149 L CA 0.827 55.711 54.840 0.073 0.000 0.841 149 L CB 0.170 42.300 42.059 0.118 0.000 1.074 149 L HN 0.750 nan 8.230 nan 0.000 0.479 150 A N 0.135 122.961 122.820 0.011 0.000 2.589 150 A HA 0.573 4.893 4.320 -0.000 0.000 0.296 150 A C -1.950 175.537 177.584 -0.161 0.000 1.062 150 A CA -0.638 51.343 52.037 -0.094 0.000 0.686 150 A CB 1.337 20.205 19.000 -0.220 0.000 1.282 150 A HN 0.168 nan 8.150 nan 0.000 0.404 151 D N 0.049 120.320 120.400 -0.215 0.000 2.596 151 D HA 0.732 5.372 4.640 -0.000 0.000 0.234 151 D C -0.697 175.371 176.300 -0.387 0.000 1.181 151 D CA -0.169 53.666 54.000 -0.274 0.000 0.856 151 D CB 2.252 42.946 40.800 -0.177 0.000 1.498 151 D HN 1.346 nan 8.370 nan 0.000 0.446 152 A N 0.680 123.164 122.820 -0.560 0.000 2.547 152 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 152 A C -1.374 175.784 177.584 -0.709 0.000 1.056 152 A CA -0.733 50.844 52.037 -0.766 0.000 0.688 152 A CB 2.215 20.356 19.000 -1.432 0.000 1.282 152 A HN 0.632 nan 8.150 nan 0.000 0.400 153 E N 0.761 120.765 120.200 -0.327 0.000 2.308 153 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 153 E C -0.949 175.771 176.600 0.200 0.000 0.890 153 E CA -0.658 55.718 56.400 -0.040 0.000 0.754 153 E CB 2.064 31.744 29.700 -0.033 0.000 1.207 153 E HN 1.164 nan 8.360 nan 0.000 0.426 154 A N 4.307 127.317 122.820 0.316 0.000 2.331 154 A HA 0.764 5.084 4.320 -0.000 0.000 0.320 154 A C -0.808 176.882 177.584 0.176 0.000 1.138 154 A CA -0.594 51.572 52.037 0.215 0.000 0.790 154 A CB 1.152 20.239 19.000 0.145 0.000 1.206 154 A HN 0.610 nan 8.150 nan 0.000 0.470 155 R N 1.207 121.780 120.500 0.121 0.000 2.515 155 R HA 0.575 4.915 4.340 -0.000 0.000 0.278 155 R C -1.031 175.315 176.300 0.076 0.000 1.107 155 R CA -0.292 55.871 56.100 0.105 0.000 0.945 155 R CB 1.389 31.742 30.300 0.088 0.000 1.219 155 R HN 1.313 nan 8.270 nan 0.000 0.434 156 c N 2.231 120.874 118.600 0.071 0.000 3.285 156 c HA 0.669 5.239 4.570 -0.000 0.000 0.320 156 c C -1.779 172.341 174.090 0.051 0.000 1.411 156 c CA -1.657 54.703 56.329 0.051 0.000 1.429 156 c CB 1.612 44.145 42.510 0.038 0.000 1.812 156 c HN 0.677 nan 8.230 nan 0.000 0.454 157 P HA 0.029 nan 4.420 nan 0.000 0.219 157 P C 1.494 178.822 177.300 0.046 0.000 1.146 157 P CA 2.522 65.647 63.100 0.042 0.000 0.808 157 P CB -0.085 31.634 31.700 0.032 0.000 0.779 158 A N -1.240 121.600 122.820 0.034 0.000 1.968 158 A HA 0.389 4.709 4.320 -0.000 0.000 0.217 158 A C 1.190 178.795 177.584 0.034 0.000 1.169 158 A CA 1.305 53.357 52.037 0.025 0.000 0.638 158 A CB -0.513 18.482 19.000 -0.008 0.000 0.812 158 A HN 0.291 nan 8.150 nan 0.000 0.446 159 A N -2.063 120.786 122.820 0.048 0.000 2.604 159 A HA 0.585 4.905 4.320 -0.000 0.000 0.295 159 A C -1.301 176.376 177.584 0.155 0.000 1.067 159 A CA -0.030 52.062 52.037 0.093 0.000 0.683 159 A CB 0.926 19.909 19.000 -0.028 0.000 1.281 159 A HN 1.087 nan 8.150 nan 0.000 0.407 160 V N 1.883 121.927 119.914 0.217 0.000 2.709 160 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 160 V C -2.106 174.174 176.094 0.310 0.000 1.062 160 V CA -0.579 61.854 62.300 0.222 0.000 0.901 160 V CB 1.823 33.738 31.823 0.152 0.000 1.003 160 V HN 1.339 nan 8.190 nan 0.000 0.425 161 F N 7.313 127.339 119.950 0.127 0.000 2.617 161 F HA 0.601 5.128 4.527 0.000 0.000 0.325 161 F C -1.063 174.860 175.800 0.206 0.000 1.179 161 F CA -1.115 56.949 58.000 0.107 0.000 0.965 161 F CB 1.578 40.620 39.000 0.070 0.000 1.232 161 F HN 0.577 nan 8.300 nan 0.000 0.461 162 N N 5.332 124.134 118.700 0.169 0.000 2.314 162 N HA 0.570 5.310 4.740 -0.000 0.000 0.294 162 N C -2.108 173.290 175.510 -0.186 0.000 1.029 162 N CA -0.214 52.776 53.050 -0.099 0.000 0.845 162 N CB 2.571 41.034 38.487 -0.040 0.000 1.321 162 N HN 0.361 nan 8.380 nan 0.000 0.481 163 V N 2.700 122.363 119.914 -0.418 0.000 2.409 163 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 163 V C -0.156 175.762 176.094 -0.293 0.000 1.020 163 V CA -0.475 61.622 62.300 -0.339 0.000 0.848 163 V CB 1.504 33.071 31.823 -0.427 0.000 0.990 163 V HN 0.669 nan 8.190 nan 0.000 0.430 164 T N 6.920 121.375 114.554 -0.165 0.000 2.770 164 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 164 T C -0.413 174.287 174.700 0.000 0.000 0.988 164 T CA -0.281 61.778 62.100 -0.068 0.000 0.957 164 T CB 0.780 69.671 68.868 0.038 0.000 0.930 164 T HN 0.333 nan 8.240 nan 0.000 0.443 165 L N 2.927 124.160 121.223 0.018 0.000 2.296 165 L HA 0.802 5.142 4.340 -0.000 0.000 0.286 165 L C 0.754 177.736 176.870 0.186 0.000 1.023 165 L CA -0.617 54.299 54.840 0.127 0.000 0.812 165 L CB 1.590 43.718 42.059 0.115 0.000 1.223 165 L HN 0.766 nan 8.230 nan 0.000 0.421 166 G N 1.524 110.506 108.800 0.304 0.000 2.818 166 G HA2 0.458 4.418 3.960 -0.000 0.000 0.286 166 G HA3 0.458 4.418 3.960 -0.000 0.000 0.286 166 G C -1.149 173.909 174.900 0.264 0.000 1.364 166 G CA -0.590 44.647 45.100 0.227 0.000 0.938 166 G HN 0.540 nan 8.290 nan 0.000 0.490 167 E N 0.241 120.555 120.200 0.189 0.000 2.328 167 E HA 0.364 4.714 4.350 -0.000 0.000 0.265 167 E C 0.777 177.553 176.600 0.294 0.000 1.057 167 E CA 0.835 57.350 56.400 0.192 0.000 0.916 167 E CB 0.877 30.652 29.700 0.125 0.000 0.993 167 E HN 1.074 nan 8.360 nan 0.000 0.446 168 A N 3.650 126.685 122.820 0.359 0.000 2.799 168 A HA -0.245 4.075 4.320 -0.000 0.000 0.287 168 A C -0.385 177.556 177.584 0.594 0.000 1.484 168 A CA 1.149 53.493 52.037 0.513 0.000 0.813 168 A CB -1.980 17.267 19.000 0.412 0.000 1.009 168 A HN 0.523 nan 8.150 nan 0.000 0.545 169 F N -1.619 118.538 119.950 0.345 0.000 2.574 169 F HA 0.628 5.155 4.527 -0.000 0.000 0.313 169 F C -0.938 174.709 175.800 -0.256 0.000 1.130 169 F CA -1.179 56.797 58.000 -0.041 0.000 0.936 169 F CB 1.447 40.407 39.000 -0.066 0.000 1.219 169 F HN 0.351 nan 8.300 nan 0.000 0.445 170 L N 5.828 126.285 121.223 -1.276 0.000 2.349 170 L HA 0.877 5.217 4.340 -0.000 0.000 0.278 170 L C -0.835 175.229 176.870 -1.343 0.000 0.996 170 L CA -0.220 53.965 54.840 -1.091 0.000 0.825 170 L CB 1.809 43.196 42.059 -1.120 0.000 1.243 170 L HN 0.710 nan 8.230 nan 0.000 0.412 171 G N 5.647 113.915 108.800 -0.887 0.000 2.502 171 G HA2 0.582 4.542 3.960 -0.000 0.000 0.311 171 G HA3 0.582 4.542 3.960 -0.000 0.000 0.311 171 G C -1.816 172.930 174.900 -0.256 0.000 1.270 171 G CA -0.419 44.360 45.100 -0.535 0.000 0.948 171 G HN 0.704 nan 8.290 nan 0.000 0.487 172 L N 2.683 123.778 121.223 -0.214 0.000 2.381 172 L HA 0.730 5.070 4.340 -0.000 0.000 0.274 172 L C -0.339 176.501 176.870 -0.050 0.000 0.988 172 L CA -1.005 53.779 54.840 -0.093 0.000 0.824 172 L CB 1.861 43.875 42.059 -0.075 0.000 1.263 172 L HN 0.461 nan 8.230 nan 0.000 0.410 173 R N 4.270 124.777 120.500 0.012 0.000 2.476 173 R HA 0.677 5.017 4.340 -0.000 0.000 0.305 173 R C -2.047 174.277 176.300 0.040 0.000 0.965 173 R CA -0.477 55.627 56.100 0.008 0.000 0.867 173 R CB 2.138 32.449 30.300 0.019 0.000 1.176 173 R HN 0.478 nan 8.270 nan 0.000 0.447 174 V N 3.428 123.263 119.914 -0.132 0.000 2.588 174 V HA 0.885 5.005 4.120 -0.000 0.000 0.304 174 V C -1.407 174.445 176.094 -0.402 0.000 1.042 174 V CA -0.298 61.809 62.300 -0.322 0.000 0.877 174 V CB 1.779 33.160 31.823 -0.737 0.000 0.996 174 V HN 0.928 nan 8.190 nan 0.000 0.425 175 A N 6.024 128.772 122.820 -0.121 0.000 2.488 175 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 175 A C -1.946 175.833 177.584 0.325 0.000 1.044 175 A CA -0.525 51.578 52.037 0.109 0.000 0.693 175 A CB 1.804 20.900 19.000 0.161 0.000 1.272 175 A HN 1.000 nan 8.150 nan 0.000 0.402 176 L N 1.543 123.071 121.223 0.508 0.000 2.322 176 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 176 L C 0.643 177.752 176.870 0.399 0.000 1.014 176 L CA -0.466 54.622 54.840 0.413 0.000 0.815 176 L CB 1.522 43.842 42.059 0.435 0.000 1.247 176 L HN 0.836 nan 8.230 nan 0.000 0.421 177 R N 3.057 123.706 120.500 0.249 0.000 2.537 177 R HA 0.114 4.454 4.340 -0.000 0.000 0.281 177 R C 0.837 177.239 176.300 0.169 0.000 0.988 177 R CA 1.269 57.474 56.100 0.175 0.000 1.077 177 R CB 0.188 30.548 30.300 0.101 0.000 0.932 177 R HN 1.015 nan 8.270 nan 0.000 0.409 178 S N 1.276 116.995 115.700 0.033 0.000 3.228 178 S HA -0.195 4.275 4.470 -0.000 0.000 0.282 178 S C -0.409 173.889 174.600 -0.503 0.000 1.286 178 S CA 1.128 59.209 58.200 -0.199 0.000 1.066 178 S CB -2.176 60.864 63.200 -0.266 0.000 1.277 178 S HN 0.491 nan 8.310 nan 0.000 0.661 179 F N 0.662 120.667 119.950 0.092 0.000 2.577 179 F HA 0.695 5.222 4.527 -0.000 0.000 0.318 179 F C 0.601 176.502 175.800 0.168 0.000 1.065 179 F CA -1.335 56.727 58.000 0.104 0.000 0.929 179 F CB 1.155 40.204 39.000 0.082 0.000 1.237 179 F HN 0.092 nan 8.300 nan 0.000 0.468 180 L N 3.610 125.041 121.223 0.347 0.000 2.455 180 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 180 L C -2.155 174.954 176.870 0.398 0.000 1.174 180 L CA -1.686 53.345 54.840 0.318 0.000 0.869 180 L CB -0.067 42.163 42.059 0.286 0.000 1.130 180 L HN 0.284 nan 8.230 nan 0.000 0.474 181 P HA 0.092 nan 4.420 nan 0.000 0.269 181 P C -0.845 176.583 177.300 0.214 0.000 1.209 181 P CA -0.396 62.847 63.100 0.238 0.000 0.776 181 P CB 0.667 32.464 31.700 0.162 0.000 0.876 182 L N 2.115 123.394 121.223 0.092 0.000 2.287 182 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 182 L C -0.307 176.548 176.870 -0.025 0.000 1.022 182 L CA -0.308 54.566 54.840 0.057 0.000 0.814 182 L CB 1.021 43.123 42.059 0.072 0.000 1.217 182 L HN 0.288 nan 8.230 nan 0.000 0.420 183 E N 3.650 123.850 120.200 -0.001 0.000 2.191 183 E HA 0.659 5.009 4.350 -0.000 0.000 0.263 183 E C -1.810 174.770 176.600 -0.032 0.000 0.881 183 E CA -0.594 55.792 56.400 -0.023 0.000 0.757 183 E CB 1.683 31.379 29.700 -0.006 0.000 1.147 183 E HN 0.509 nan 8.360 nan 0.000 0.414 184 V N 5.796 125.665 119.914 -0.075 0.000 2.656 184 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 184 V C -0.385 175.582 176.094 -0.212 0.000 1.051 184 V CA -0.690 61.551 62.300 -0.099 0.000 0.893 184 V CB 1.873 33.639 31.823 -0.095 0.000 0.999 184 V HN 0.691 nan 8.190 nan 0.000 0.426 185 I N 5.130 125.570 120.570 -0.217 0.000 2.406 185 I HA 0.514 4.684 4.170 -0.000 0.000 0.290 185 I C -0.747 175.163 176.117 -0.345 0.000 0.999 185 I CA -0.402 60.613 61.300 -0.474 0.000 1.124 185 I CB 1.842 39.467 38.000 -0.625 0.000 1.289 185 I HN 0.422 nan 8.210 nan 0.000 0.441 186 I N 5.116 125.322 120.570 -0.608 0.000 2.339 186 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 186 I C 0.002 175.853 176.117 -0.443 0.000 0.994 186 I CA -0.171 60.846 61.300 -0.472 0.000 1.191 186 I CB 1.720 39.318 38.000 -0.670 0.000 1.343 186 I HN 0.449 nan 8.210 nan 0.000 0.458 187 S N 3.485 119.246 115.700 0.101 0.000 2.542 187 S HA 0.655 5.125 4.470 -0.000 0.000 0.293 187 S C 0.742 175.754 174.600 0.686 0.000 1.089 187 S CA -0.262 58.170 58.200 0.386 0.000 0.961 187 S CB 1.904 65.460 63.200 0.592 0.000 1.062 187 S HN 0.702 nan 8.310 nan 0.000 0.483 188 A N 2.362 125.609 122.820 0.712 0.000 2.066 188 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 188 A C 0.739 178.630 177.584 0.512 0.000 1.157 188 A CA 0.764 53.147 52.037 0.577 0.000 0.670 188 A CB -0.469 18.786 19.000 0.425 0.000 0.804 188 A HN 0.850 nan 8.150 nan 0.000 0.453 189 E N -0.250 120.255 120.200 0.509 0.000 2.214 189 E HA 0.485 4.835 4.350 -0.000 0.000 0.274 189 E C -0.541 176.219 176.600 0.267 0.000 0.977 189 E CA -0.940 55.669 56.400 0.347 0.000 0.827 189 E CB 1.199 31.052 29.700 0.256 0.000 1.130 189 E HN 0.225 nan 8.360 nan 0.000 0.394 190 R N 3.092 123.532 120.500 -0.099 0.000 2.229 190 R HA 0.228 4.568 4.340 -0.000 0.000 0.328 190 R C -0.246 176.047 176.300 -0.011 0.000 1.009 190 R CA -0.707 55.243 56.100 -0.250 0.000 0.864 190 R CB 0.860 30.804 30.300 -0.594 0.000 1.085 190 R HN 0.560 nan 8.270 nan 0.000 0.453 191 M N 3.502 123.170 119.600 0.114 0.000 2.217 191 M HA 0.184 4.664 4.480 -0.000 0.000 0.354 191 M C 0.344 176.647 176.300 0.005 0.000 1.225 191 M CA 0.033 55.328 55.300 -0.009 0.000 1.137 191 M CB 0.690 33.231 32.600 -0.097 0.000 1.576 191 M HN 0.430 nan 8.290 nan 0.000 0.461 192 R N 2.488 122.968 120.500 -0.034 0.000 2.486 192 R HA 0.104 4.444 4.340 -0.000 0.000 0.303 192 R C -0.395 175.904 176.300 -0.002 0.000 0.958 192 R CA 0.559 56.647 56.100 -0.020 0.000 1.077 192 R CB 0.113 30.394 30.300 -0.032 0.000 0.921 192 R HN 0.581 nan 8.270 nan 0.000 0.406 193 M N 3.442 123.049 119.600 0.012 0.000 2.472 193 M HA 0.355 4.835 4.480 -0.000 0.000 0.331 193 M C -0.170 176.138 176.300 0.013 0.000 1.170 193 M CA -0.679 54.634 55.300 0.022 0.000 1.009 193 M CB 1.827 34.449 32.600 0.036 0.000 1.672 193 M HN 0.373 nan 8.290 nan 0.000 0.453 194 I N 2.259 122.838 120.570 0.015 0.000 2.471 194 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 194 I C 0.183 176.308 176.117 0.013 0.000 1.079 194 I CA -0.189 61.118 61.300 0.012 0.000 1.398 194 I CB 0.647 38.654 38.000 0.012 0.000 1.403 194 I HN 0.678 nan 8.210 nan 0.000 0.530 195 A N 7.756 130.582 122.820 0.010 0.000 2.350 195 A HA 0.818 5.138 4.320 -0.000 0.000 0.324 195 A C -2.351 175.238 177.584 0.009 0.000 1.118 195 A CA -1.446 50.597 52.037 0.010 0.000 0.783 195 A CB 0.406 19.410 19.000 0.007 0.000 1.236 195 A HN 0.527 nan 8.150 nan 0.000 0.457 196 P HA 0.448 nan 4.420 nan 0.000 0.268 196 P C -2.101 175.203 177.300 0.007 0.000 1.205 196 P CA -0.433 62.672 63.100 0.009 0.000 0.771 196 P CB -0.293 31.413 31.700 0.009 0.000 0.858 212 R N -0.461 119.916 120.500 -0.205 0.000 2.115 212 R HA 0.187 4.527 4.340 -0.000 0.000 0.226 212 R C 0.129 176.153 176.300 -0.460 0.000 1.100 212 R CA 0.866 56.778 56.100 -0.315 0.000 0.980 212 R CB -0.131 29.900 30.300 -0.449 0.000 0.875 212 R HN 0.228 nan 8.270 nan 0.000 0.445 213 F N -0.369 119.696 119.950 0.192 0.000 2.523 213 F HA 0.346 4.873 4.527 -0.000 0.000 0.329 213 F C 0.022 175.655 175.800 -0.278 0.000 1.061 213 F CA -1.083 56.938 58.000 0.034 0.000 0.967 213 F CB 1.295 40.355 39.000 0.099 0.000 1.218 213 F HN -0.139 nan 8.300 nan 0.000 0.480 214 H N -0.110 119.179 119.070 0.365 0.000 2.547 214 H HA 0.621 5.177 4.556 -0.000 0.000 0.342 214 H C -1.068 174.236 175.328 -0.040 0.000 1.048 214 H CA -0.810 55.309 56.048 0.119 0.000 1.204 214 H CB 1.646 31.493 29.762 0.142 0.000 1.493 214 H HN 0.276 nan 8.280 nan 0.000 0.511 215 V N 4.415 124.244 119.914 -0.142 0.000 2.427 215 V HA 0.269 4.389 4.120 -0.000 0.000 0.286 215 V C -0.824 175.031 176.094 -0.399 0.000 1.034 215 V CA -0.638 61.554 62.300 -0.179 0.000 0.893 215 V CB 0.328 32.092 31.823 -0.099 0.000 0.982 215 V HN 0.686 nan 8.190 nan 0.000 0.452 216 Y N 1.596 121.907 120.300 0.018 0.000 2.376 216 Y HA 0.617 5.167 4.550 -0.000 0.000 0.340 216 Y C 0.431 176.328 175.900 -0.005 0.000 0.965 216 Y CA -0.751 57.378 58.100 0.048 0.000 1.078 216 Y CB 2.313 40.846 38.460 0.121 0.000 1.193 216 Y HN 0.500 nan 8.280 nan 0.000 0.452 217 T N 4.955 119.591 114.554 0.137 0.000 2.809 217 T HA 0.586 4.936 4.350 -0.000 0.000 0.284 217 T C -0.752 173.988 174.700 0.066 0.000 0.992 217 T CA -0.672 61.471 62.100 0.071 0.000 0.957 217 T CB 0.489 69.385 68.868 0.046 0.000 0.942 217 T HN 0.362 nan 8.240 nan 0.000 0.439 218 L N 3.064 124.306 121.223 0.031 0.000 2.305 218 L HA 0.858 5.198 4.340 -0.000 0.000 0.284 218 L C 0.717 177.543 176.870 -0.073 0.000 1.013 218 L CA -0.287 54.545 54.840 -0.014 0.000 0.819 218 L CB 1.353 43.416 42.059 0.006 0.000 1.227 218 L HN 0.929 nan 8.230 nan 0.000 0.417 219 G N 1.325 110.012 108.800 -0.188 0.000 2.337 219 G HA2 0.204 4.164 3.960 -0.000 0.000 0.298 219 G HA3 0.204 4.164 3.960 -0.000 0.000 0.298 219 G C -1.082 173.586 174.900 -0.386 0.000 1.335 219 G CA -0.812 44.122 45.100 -0.276 0.000 0.875 219 G HN 0.156 nan 8.290 nan 0.000 0.579 220 F N 0.420 120.426 119.950 0.093 0.000 2.898 220 F HA 0.431 4.958 4.527 -0.000 0.000 0.290 220 F C 0.766 176.607 175.800 0.067 0.000 1.195 220 F CA -0.449 57.597 58.000 0.077 0.000 1.387 220 F CB 0.139 39.183 39.000 0.073 0.000 0.976 220 F HN 0.019 nan 8.300 nan 0.000 0.510 221 L N 0.208 121.517 121.223 0.143 0.000 2.418 221 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 221 L C 0.937 177.858 176.870 0.085 0.000 1.135 221 L CA 0.453 55.357 54.840 0.107 0.000 0.870 221 L CB 0.275 42.381 42.059 0.079 0.000 1.154 221 L HN 0.062 nan 8.230 nan 0.000 0.462 222 S N 0.894 116.632 115.700 0.064 0.000 2.608 222 S HA 0.013 4.483 4.470 -0.000 0.000 0.261 222 S C 1.122 175.696 174.600 -0.043 0.000 1.314 222 S CA -0.145 58.068 58.200 0.021 0.000 0.992 222 S CB 0.640 63.847 63.200 0.011 0.000 0.935 222 S HN 0.870 nan 8.310 nan 0.000 0.564 223 D N 1.175 121.504 120.400 -0.118 0.000 2.191 223 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 223 D C 1.731 177.761 176.300 -0.450 0.000 1.003 223 D CA 1.540 55.320 54.000 -0.366 0.000 0.867 223 D CB -0.605 39.927 40.800 -0.446 0.000 0.926 223 D HN 0.547 nan 8.370 nan 0.000 0.450 224 G N 0.460 109.128 108.800 -0.221 0.000 2.459 224 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 224 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 224 G C 1.746 176.616 174.900 -0.050 0.000 1.183 224 G CA 1.238 46.264 45.100 -0.124 0.000 0.776 224 G HN 0.519 nan 8.290 nan 0.000 0.552 225 A N -0.531 122.280 122.820 -0.016 0.000 2.021 225 A HA 0.297 4.617 4.320 -0.000 0.000 0.216 225 A C 2.219 179.836 177.584 0.054 0.000 1.163 225 A CA 1.762 53.818 52.037 0.033 0.000 0.676 225 A CB -0.206 18.826 19.000 0.052 0.000 0.818 225 A HN 0.372 nan 8.150 nan 0.000 0.453 226 M N -0.730 118.897 119.600 0.046 0.000 2.123 226 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 226 M C 1.802 178.215 176.300 0.189 0.000 1.069 226 M CA 1.728 57.091 55.300 0.105 0.000 1.133 226 M CB -0.567 32.099 32.600 0.112 0.000 1.356 226 M HN 0.481 nan 8.290 nan 0.000 0.415 227 H N -0.290 118.792 119.070 0.019 0.000 2.353 227 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 227 H C 2.019 177.349 175.328 0.004 0.000 1.090 227 H CA 1.910 57.964 56.048 0.010 0.000 1.327 227 H CB -0.751 29.017 29.762 0.011 0.000 1.383 227 H HN 0.575 nan 8.280 nan 0.000 0.508 228 Q N 0.262 120.142 119.800 0.134 0.000 2.002 228 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 228 Q C 1.825 177.851 176.000 0.044 0.000 0.988 228 Q CA 2.379 58.227 55.803 0.074 0.000 0.843 228 Q CB -0.023 28.754 28.738 0.065 0.000 0.908 228 Q HN 0.437 nan 8.270 nan 0.000 0.420 229 T N 1.219 115.805 114.554 0.053 0.000 2.652 229 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 229 T C 1.875 176.566 174.700 -0.015 0.000 1.039 229 T CA 1.804 63.922 62.100 0.030 0.000 1.153 229 T CB -0.292 68.609 68.868 0.056 0.000 0.863 229 T HN 0.286 nan 8.240 nan 0.000 0.428 230 M N 0.400 120.004 119.600 0.006 0.000 2.082 230 M HA -0.131 4.349 4.480 -0.000 0.000 0.258 230 M C 2.532 178.803 176.300 -0.049 0.000 1.069 230 M CA 1.755 57.042 55.300 -0.021 0.000 1.102 230 M CB -0.181 32.415 32.600 -0.006 0.000 1.336 230 M HN 0.097 nan 8.290 nan 0.000 0.404 231 R N -0.202 120.276 120.500 -0.037 0.000 2.081 231 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 231 R C 1.672 177.901 176.300 -0.119 0.000 1.131 231 R CA 1.749 57.819 56.100 -0.050 0.000 0.960 231 R CB -0.481 29.807 30.300 -0.020 0.000 0.856 231 R HN 0.391 nan 8.270 nan 0.000 0.436 232 D N -0.184 120.108 120.400 -0.179 0.000 2.117 232 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 232 D C 1.898 177.713 176.300 -0.809 0.000 0.982 232 D CA 0.877 54.623 54.000 -0.423 0.000 0.828 232 D CB -0.024 40.594 40.800 -0.304 0.000 0.967 232 D HN -0.049 nan 8.370 nan 0.000 0.464 233 V N 1.044 120.684 119.914 -0.457 0.000 2.343 233 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 233 V C 2.435 178.401 176.094 -0.212 0.000 1.051 233 V CA 1.753 63.870 62.300 -0.305 0.000 1.036 233 V CB -0.871 30.887 31.823 -0.108 0.000 0.654 233 V HN 0.209 nan 8.190 nan 0.000 0.451 234 A N 0.239 122.975 122.820 -0.139 0.000 1.883 234 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 234 A C 2.460 180.069 177.584 0.040 0.000 1.186 234 A CA 2.357 54.386 52.037 -0.015 0.000 0.624 234 A CB -0.922 18.124 19.000 0.077 0.000 0.822 234 A HN 0.595 nan 8.150 nan 0.000 0.444 235 A N -1.098 121.699 122.820 -0.039 0.000 1.908 235 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 235 A C 2.084 179.738 177.584 0.118 0.000 1.181 235 A CA 1.788 53.840 52.037 0.026 0.000 0.627 235 A CB -0.846 18.124 19.000 -0.049 0.000 0.818 235 A HN 0.588 nan 8.150 nan 0.000 0.445 236 Y N 0.412 120.739 120.300 0.044 0.000 2.114 236 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 236 Y C 2.720 178.622 175.900 0.002 0.000 1.143 236 Y CA 0.970 59.087 58.100 0.029 0.000 1.135 236 Y CB -1.458 37.002 38.460 0.001 0.000 0.980 236 Y HN 0.164 nan 8.280 nan 0.000 0.499 237 V N -0.911 119.037 119.914 0.055 0.000 2.343 237 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 237 V C 1.465 177.534 176.094 -0.041 0.000 1.051 237 V CA 2.282 64.535 62.300 -0.079 0.000 1.036 237 V CB -1.167 30.487 31.823 -0.282 0.000 0.654 237 V HN 0.444 nan 8.190 nan 0.000 0.451 238 H N -0.433 118.749 119.070 0.187 0.000 2.547 238 H HA 0.110 4.666 4.556 -0.000 0.000 0.266 238 H C 2.164 177.576 175.328 0.141 0.000 0.988 238 H CA 0.568 56.712 56.048 0.160 0.000 1.147 238 H CB 0.217 30.044 29.762 0.108 0.000 1.365 238 H HN 0.555 nan 8.280 nan 0.000 0.589 239 E N 0.506 120.843 120.200 0.228 0.000 2.072 239 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 239 E C 0.151 176.862 176.600 0.185 0.000 0.982 239 E CA 0.580 57.105 56.400 0.207 0.000 0.803 239 E CB 0.390 30.230 29.700 0.233 0.000 0.755 239 E HN 0.184 nan 8.360 nan 0.000 0.453 240 S N -0.972 114.837 115.700 0.181 0.000 2.542 240 S HA 0.126 4.596 4.470 -0.000 0.000 0.276 240 S C -1.018 173.679 174.600 0.161 0.000 1.148 240 S CA -0.824 57.471 58.200 0.158 0.000 0.886 240 S CB 1.474 64.763 63.200 0.149 0.000 1.109 240 S HN 0.072 nan 8.310 nan 0.000 0.458 241 D N 1.654 122.144 120.400 0.150 0.000 2.355 241 D HA 0.102 4.742 4.640 -0.000 0.000 0.218 241 D C -0.085 176.300 176.300 0.140 0.000 1.004 241 D CA 0.494 54.585 54.000 0.151 0.000 0.880 241 D CB 0.097 40.975 40.800 0.130 0.000 0.911 241 D HN 0.554 nan 8.370 nan 0.000 0.528 242 D N 0.146 120.617 120.400 0.119 0.000 2.339 242 D HA -0.048 4.592 4.640 -0.000 0.000 0.241 242 D C 1.225 177.573 176.300 0.080 0.000 1.183 242 D CA -0.550 53.503 54.000 0.089 0.000 0.859 242 D CB 0.361 41.181 40.800 0.034 0.000 1.067 242 D HN 0.121 nan 8.370 nan 0.000 0.484 243 Y N 3.439 123.800 120.300 0.101 0.000 2.333 243 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 243 Y C 1.276 177.226 175.900 0.084 0.000 1.144 243 Y CA 0.956 59.127 58.100 0.118 0.000 1.228 243 Y CB -0.483 38.108 38.460 0.217 0.000 0.985 243 Y HN 0.380 nan 8.280 nan 0.000 0.542 244 L N 0.553 121.341 121.223 -0.725 0.000 2.109 244 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 244 L C 2.895 179.654 176.870 -0.184 0.000 1.086 244 L CA 1.023 55.551 54.840 -0.520 0.000 0.760 244 L CB -0.770 40.970 42.059 -0.532 0.000 0.910 244 L HN 0.425 nan 8.230 nan 0.000 0.437 245 A N -0.898 121.871 122.820 -0.086 0.000 1.929 245 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 245 A C 2.258 179.821 177.584 -0.036 0.000 1.176 245 A CA 0.975 53.031 52.037 0.032 0.000 0.628 245 A CB -0.263 18.810 19.000 0.122 0.000 0.816 245 A HN 0.341 nan 8.150 nan 0.000 0.444 246 Q N -0.871 118.923 119.800 -0.009 0.000 2.084 246 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 246 Q C 2.042 177.994 176.000 -0.081 0.000 0.978 246 Q CA 1.145 56.938 55.803 -0.016 0.000 0.844 246 Q CB -0.533 28.250 28.738 0.074 0.000 0.898 246 Q HN 0.543 nan 8.270 nan 0.000 0.426 247 L N 0.670 121.871 121.223 -0.037 0.000 2.093 247 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 247 L C 2.220 179.081 176.870 -0.015 0.000 1.085 247 L CA 1.530 56.370 54.840 0.001 0.000 0.755 247 L CB -0.755 41.342 42.059 0.063 0.000 0.904 247 L HN 0.025 nan 8.230 nan 0.000 0.435 248 S N -0.375 115.220 115.700 -0.174 0.000 2.359 248 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 248 S C 2.086 176.181 174.600 -0.843 0.000 1.035 248 S CA 1.295 59.269 58.200 -0.375 0.000 1.018 248 S CB -0.571 62.439 63.200 -0.316 0.000 0.876 248 S HN 0.634 nan 8.310 nan 0.000 0.448 249 A N 1.347 123.537 122.820 -1.050 0.000 1.930 249 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 249 A C 2.338 179.661 177.584 -0.435 0.000 1.175 249 A CA 1.653 53.147 52.037 -0.905 0.000 0.627 249 A CB -1.014 17.690 19.000 -0.493 0.000 0.815 249 A HN 0.515 nan 8.150 nan 0.000 0.443 250 A N -0.681 121.955 122.820 -0.306 0.000 1.902 250 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 250 A C 1.934 179.376 177.584 -0.236 0.000 1.181 250 A CA 1.941 53.832 52.037 -0.243 0.000 0.623 250 A CB -0.913 17.968 19.000 -0.198 0.000 0.818 250 A HN 0.671 nan 8.150 nan 0.000 0.443 251 H N -0.451 118.510 119.070 -0.182 0.000 2.319 251 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 251 H C 2.472 177.829 175.328 0.049 0.000 1.092 251 H CA 1.914 57.901 56.048 -0.102 0.000 1.302 251 H CB -0.132 29.519 29.762 -0.184 0.000 1.373 251 H HN 0.521 nan 8.280 nan 0.000 0.497 252 A N 0.619 123.523 122.820 0.139 0.000 1.933 252 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 252 A C 2.484 180.036 177.584 -0.054 0.000 1.175 252 A CA 1.544 53.593 52.037 0.020 0.000 0.628 252 A CB -0.983 17.920 19.000 -0.162 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 A N -0.284 122.466 122.820 -0.117 0.000 1.930 253 A HA 0.249 4.569 4.320 -0.000 0.000 0.217 253 A C 2.457 179.958 177.584 -0.137 0.000 1.175 253 A CA 1.783 53.733 52.037 -0.145 0.000 0.627 253 A CB -0.863 18.017 19.000 -0.200 0.000 0.815 253 A HN 0.986 nan 8.150 nan 0.000 0.443 254 A N -0.455 122.293 122.820 -0.120 0.000 1.930 254 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 254 A C 2.085 179.633 177.584 -0.060 0.000 1.175 254 A CA 1.602 53.581 52.037 -0.096 0.000 0.627 254 A CB -0.563 18.363 19.000 -0.124 0.000 0.815 254 A HN 0.635 nan 8.150 nan 0.000 0.443 255 L N -0.023 121.185 121.223 -0.027 0.000 2.012 255 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 255 L C 2.653 179.469 176.870 -0.090 0.000 1.073 255 L CA 2.252 57.087 54.840 -0.008 0.000 0.748 255 L CB -0.860 41.255 42.059 0.093 0.000 0.891 255 L HN 0.342 nan 8.230 nan 0.000 0.431 256 A N -0.531 122.169 122.820 -0.199 0.000 1.908 256 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 256 A C 2.434 179.804 177.584 -0.357 0.000 1.181 256 A CA 1.985 53.756 52.037 -0.444 0.000 0.627 256 A CB -1.172 17.347 19.000 -0.801 0.000 0.818 256 A HN 0.597 nan 8.150 nan 0.000 0.445 257 A N -0.245 122.483 122.820 -0.153 0.000 1.968 257 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 257 A C 2.325 179.935 177.584 0.043 0.000 1.169 257 A CA 1.907 53.970 52.037 0.043 0.000 0.638 257 A CB -1.050 18.001 19.000 0.084 0.000 0.812 257 A HN 1.174 nan 8.150 nan 0.000 0.446 258 V N -2.694 117.221 119.914 0.003 0.000 2.379 258 V HA -0.103 4.017 4.120 -0.000 0.000 0.245 258 V C 2.101 178.203 176.094 0.014 0.000 1.044 258 V CA 2.034 64.341 62.300 0.012 0.000 1.036 258 V CB -1.034 30.791 31.823 0.004 0.000 0.664 258 V HN 0.165 nan 8.190 nan 0.000 0.453 259 V N 0.114 120.027 119.914 -0.003 0.000 2.323 259 V HA -0.059 4.061 4.120 -0.000 0.000 0.244 259 V C 1.746 177.860 176.094 0.034 0.000 1.041 259 V CA 1.842 64.144 62.300 0.005 0.000 1.025 259 V CB -0.605 31.207 31.823 -0.018 0.000 0.656 259 V HN 0.654 nan 8.190 nan 0.000 0.451 260 Q N 0.265 120.101 119.800 0.060 0.000 2.788 260 Q HA 0.285 4.625 4.340 -0.000 0.000 0.261 260 Q C -2.562 173.562 176.000 0.208 0.000 1.029 260 Q CA -1.761 54.131 55.803 0.149 0.000 0.848 260 Q CB 1.578 30.466 28.738 0.249 0.000 1.185 260 Q HN 0.400 nan 8.270 nan 0.000 0.482 261 P HA 0.251 nan 4.420 nan 0.000 0.268 261 P C -0.139 177.213 177.300 0.088 0.000 1.205 261 P CA 0.183 63.346 63.100 0.105 0.000 0.771 261 P CB 1.063 32.788 31.700 0.042 0.000 0.858 262 G N 2.358 111.199 108.800 0.070 0.000 2.355 262 G HA2 0.282 4.242 3.960 -0.000 0.000 0.296 262 G HA3 0.282 4.242 3.960 -0.000 0.000 0.296 262 G C -2.785 172.074 174.900 -0.069 0.000 1.507 262 G CA -0.808 44.278 45.100 -0.023 0.000 0.823 262 G HN 0.092 nan 8.290 nan 0.000 0.569 263 P HA -0.069 nan 4.420 nan 0.000 0.216 263 P C 1.440 178.558 177.300 -0.304 0.000 1.153 263 P CA 0.964 63.799 63.100 -0.442 0.000 0.848 263 P CB 0.084 31.104 31.700 -1.133 0.000 0.787 264 Y N -0.633 119.457 120.300 -0.350 0.000 2.097 264 Y HA -0.273 4.277 4.550 0.000 0.000 0.282 264 Y C 2.138 177.992 175.900 -0.078 0.000 1.152 264 Y CA 1.733 59.667 58.100 -0.276 0.000 1.136 264 Y CB -0.993 37.248 38.460 -0.364 0.000 0.975 264 Y HN -0.130 nan 8.280 nan 0.000 0.498 265 Y N -1.263 119.004 120.300 -0.056 0.000 2.314 265 Y HA -0.164 4.386 4.550 -0.000 0.000 0.293 265 Y C 2.279 178.129 175.900 -0.083 0.000 1.129 265 Y CA 0.901 58.951 58.100 -0.084 0.000 1.201 265 Y CB -1.309 37.181 38.460 0.050 0.000 0.999 265 Y HN 0.313 nan 8.280 nan 0.000 0.541 266 F N -0.603 119.357 119.950 0.016 0.000 2.084 266 F HA -0.252 4.275 4.527 -0.000 0.000 0.296 266 F C 1.942 177.711 175.800 -0.051 0.000 1.111 266 F CA 1.407 59.392 58.000 -0.026 0.000 1.224 266 F CB -0.924 38.081 39.000 0.009 0.000 0.991 266 F HN -0.038 nan 8.300 nan 0.000 0.471 267 Y N 0.640 120.679 120.300 -0.435 0.000 2.181 267 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 267 Y C 2.832 178.452 175.900 -0.467 0.000 1.146 267 Y CA 1.753 59.548 58.100 -0.509 0.000 1.164 267 Y CB -1.086 37.206 38.460 -0.281 0.000 0.982 267 Y HN 0.077 nan 8.280 nan 0.000 0.515 268 R N 0.104 120.438 120.500 -0.276 0.000 2.081 268 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 268 R C 2.277 178.396 176.300 -0.302 0.000 1.131 268 R CA 1.276 57.208 56.100 -0.279 0.000 0.960 268 R CB -0.345 29.732 30.300 -0.372 0.000 0.856 268 R HN 0.283 nan 8.270 nan 0.000 0.436 269 A N 0.510 123.149 122.820 -0.302 0.000 1.968 269 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 269 A C 2.288 179.633 177.584 -0.398 0.000 1.169 269 A CA 1.323 53.179 52.037 -0.301 0.000 0.638 269 A CB -0.531 18.339 19.000 -0.218 0.000 0.812 269 A HN 0.517 nan 8.150 nan 0.000 0.446 270 A N -0.384 122.033 122.820 -0.673 0.000 1.877 270 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 270 A C 2.217 179.529 177.584 -0.454 0.000 1.186 270 A CA 1.776 53.188 52.037 -1.042 0.000 0.620 270 A CB -0.963 16.965 19.000 -1.786 0.000 0.822 270 A HN 0.358 nan 8.150 nan 0.000 0.443 271 V N 0.245 119.957 119.914 -0.337 0.000 2.287 271 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 271 V C 2.756 178.785 176.094 -0.109 0.000 1.053 271 V CA 2.115 64.333 62.300 -0.137 0.000 1.027 271 V CB -0.796 31.002 31.823 -0.041 0.000 0.646 271 V HN 0.451 nan 8.190 nan 0.000 0.447 272 R N -0.547 119.819 120.500 -0.224 0.000 2.096 272 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 272 R C 2.139 178.371 176.300 -0.114 0.000 1.127 272 R CA 1.289 57.243 56.100 -0.244 0.000 0.968 272 R CB -1.086 28.996 30.300 -0.363 0.000 0.861 272 R HN 0.440 nan 8.270 nan 0.000 0.440 273 L N 0.304 121.487 121.223 -0.066 0.000 2.027 273 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 273 L C 2.129 179.070 176.870 0.119 0.000 1.074 273 L CA 2.225 57.088 54.840 0.039 0.000 0.745 273 L CB -1.185 40.947 42.059 0.122 0.000 0.898 273 L HN 0.204 nan 8.230 nan 0.000 0.433 274 G N -0.812 108.083 108.800 0.157 0.000 2.446 274 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 274 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 274 G C 1.703 176.655 174.900 0.087 0.000 1.168 274 G CA 1.402 46.573 45.100 0.118 0.000 0.771 274 G HN 0.469 nan 8.290 nan 0.000 0.551 275 V N 0.538 120.487 119.914 0.058 0.000 2.427 275 V HA 0.083 4.203 4.120 -0.000 0.000 0.248 275 V C 2.900 179.082 176.094 0.146 0.000 1.051 275 V CA 2.242 64.599 62.300 0.095 0.000 1.048 275 V CB -0.724 31.137 31.823 0.063 0.000 0.666 275 V HN 0.434 nan 8.190 nan 0.000 0.456 276 A N 0.587 123.473 122.820 0.111 0.000 1.877 276 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 276 A C 2.549 180.278 177.584 0.242 0.000 1.186 276 A CA 2.470 54.595 52.037 0.147 0.000 0.620 276 A CB -1.256 17.796 19.000 0.086 0.000 0.822 276 A HN 1.069 nan 8.150 nan 0.000 0.443 277 A N -1.343 121.624 122.820 0.246 0.000 1.933 277 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 277 A C 2.032 179.850 177.584 0.390 0.000 1.175 277 A CA 1.614 53.866 52.037 0.358 0.000 0.628 277 A CB -0.676 18.459 19.000 0.225 0.000 0.814 277 A HN 0.684 nan 8.150 nan 0.000 0.444 278 F N 0.873 120.888 119.950 0.107 0.000 2.102 278 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 278 F C 2.206 178.019 175.800 0.022 0.000 1.105 278 F CA 1.908 59.918 58.000 0.016 0.000 1.239 278 F CB -0.481 38.444 39.000 -0.124 0.000 0.991 278 F HN 0.018 nan 8.300 nan 0.000 0.474 279 V N 0.316 120.172 119.914 -0.097 0.000 2.407 279 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 279 V C 2.249 178.329 176.094 -0.024 0.000 1.055 279 V CA 1.959 64.181 62.300 -0.130 0.000 1.049 279 V CB -1.149 30.710 31.823 0.060 0.000 0.662 279 V HN 0.473 nan 8.190 nan 0.000 0.455 280 F N 1.214 121.146 119.950 -0.030 0.000 2.075 280 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 280 F C 2.758 178.423 175.800 -0.225 0.000 1.113 280 F CA 1.933 59.810 58.000 -0.205 0.000 1.218 280 F CB -0.670 38.161 39.000 -0.282 0.000 0.984 280 F HN 0.099 nan 8.300 nan 0.000 0.472 281 S N -0.114 115.413 115.700 -0.288 0.000 2.370 281 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 281 S C 2.056 176.455 174.600 -0.336 0.000 1.033 281 S CA 1.552 59.579 58.200 -0.289 0.000 1.011 281 S CB -0.504 62.773 63.200 0.129 0.000 0.852 281 S HN 0.494 nan 8.310 nan 0.000 0.457 282 E N 1.057 121.044 120.200 -0.355 0.000 2.077 282 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 282 E C 2.381 178.848 176.600 -0.221 0.000 0.989 282 E CA 1.185 57.412 56.400 -0.288 0.000 0.800 282 E CB -0.698 28.773 29.700 -0.381 0.000 0.746 282 E HN 0.606 nan 8.360 nan 0.000 0.452 283 A N 1.376 124.041 122.820 -0.257 0.000 1.872 283 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 283 A C 2.416 179.818 177.584 -0.303 0.000 1.187 283 A CA 1.858 53.771 52.037 -0.207 0.000 0.614 283 A CB -0.570 18.354 19.000 -0.126 0.000 0.826 283 A HN 0.254 nan 8.150 nan 0.000 0.442 284 A N -0.334 122.141 122.820 -0.575 0.000 1.972 284 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 284 A C 2.193 179.578 177.584 -0.332 0.000 1.169 284 A CA 1.584 53.263 52.037 -0.597 0.000 0.635 284 A CB -0.501 17.828 19.000 -1.119 0.000 0.810 284 A HN 0.534 nan 8.150 nan 0.000 0.446 285 R N -0.930 119.411 120.500 -0.265 0.000 2.103 285 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 285 R C 2.451 178.691 176.300 -0.099 0.000 1.142 285 R CA 1.973 57.988 56.100 -0.141 0.000 0.960 285 R CB -0.226 30.017 30.300 -0.095 0.000 0.858 285 R HN 0.437 nan 8.270 nan 0.000 0.439 286 R N 0.295 120.735 120.500 -0.100 0.000 2.082 286 R HA -0.065 4.275 4.340 -0.000 0.000 0.228 286 R C 0.446 176.711 176.300 -0.059 0.000 1.140 286 R CA 1.395 57.457 56.100 -0.064 0.000 0.920 286 R CB -0.236 30.031 30.300 -0.055 0.000 0.828 286 R HN 0.028 nan 8.270 nan 0.000 0.430 287 D N -0.434 119.923 120.400 -0.072 0.000 2.472 287 D HA 0.185 4.825 4.640 -0.000 0.000 0.234 287 D C 0.152 176.406 176.300 -0.076 0.000 1.088 287 D CA -0.121 53.845 54.000 -0.057 0.000 0.882 287 D CB 0.635 41.413 40.800 -0.037 0.000 1.037 287 D HN -0.022 nan 8.370 nan 0.000 0.520 288 R N 1.592 122.050 120.500 -0.070 0.000 2.148 288 R HA 0.085 4.425 4.340 -0.000 0.000 0.223 288 R C 1.897 178.167 176.300 -0.049 0.000 1.088 288 R CA 0.804 56.860 56.100 -0.075 0.000 0.985 288 R CB 0.454 30.718 30.300 -0.061 0.000 0.880 288 R HN 0.267 nan 8.270 nan 0.000 0.451 289 R N -0.396 120.085 120.500 -0.032 0.000 2.093 289 R HA 0.046 4.386 4.340 -0.000 0.000 0.224 289 R C 2.131 178.424 176.300 -0.011 0.000 1.101 289 R CA 1.171 57.260 56.100 -0.018 0.000 0.979 289 R CB -0.095 30.197 30.300 -0.012 0.000 0.877 289 R HN 0.142 nan 8.270 nan 0.000 0.441 290 A N 0.296 123.108 122.820 -0.013 0.000 2.014 290 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 290 A C 2.001 179.590 177.584 0.007 0.000 1.163 290 A CA 1.277 53.314 52.037 0.000 0.000 0.652 290 A CB -0.031 18.969 19.000 0.000 0.000 0.808 290 A HN 0.173 nan 8.150 nan 0.000 0.449 291 S N -0.326 115.363 115.700 -0.019 0.000 2.458 291 S HA 0.214 4.684 4.470 -0.000 0.000 0.223 291 S C 2.226 176.847 174.600 0.035 0.000 1.019 291 S CA 0.582 58.775 58.200 -0.012 0.000 0.937 291 S CB -0.209 62.903 63.200 -0.147 0.000 0.788 291 S HN 0.759 nan 8.310 nan 0.000 0.511 292 A N 2.795 125.620 122.820 0.008 0.000 1.940 292 A HA -0.144 4.176 4.320 -0.000 0.000 0.221 292 A C -0.169 177.434 177.584 0.033 0.000 1.190 292 A CA 1.878 53.925 52.037 0.016 0.000 0.647 292 A CB -1.960 17.042 19.000 0.003 0.000 0.821 292 A HN 0.420 nan 8.150 nan 0.000 0.457 293 P HA 0.048 nan 4.420 nan 0.000 0.226 293 P C 1.104 178.432 177.300 0.046 0.000 1.153 293 P CA 1.432 64.557 63.100 0.041 0.000 0.777 293 P CB -0.001 31.723 31.700 0.041 0.000 0.794 294 A N -1.222 121.635 122.820 0.061 0.000 2.275 294 A HA 0.086 4.406 4.320 -0.000 0.000 0.212 294 A C 1.793 179.288 177.584 -0.148 0.000 1.201 294 A CA 0.108 52.172 52.037 0.046 0.000 0.843 294 A CB -1.056 18.044 19.000 0.167 0.000 0.873 294 A HN 0.109 nan 8.150 nan 0.000 0.492 295 L N -0.525 120.643 121.223 -0.092 0.000 2.056 295 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 295 L C 2.089 178.870 176.870 -0.147 0.000 1.078 295 L CA 1.836 56.556 54.840 -0.201 0.000 0.749 295 L CB -0.656 41.387 42.059 -0.026 0.000 0.901 295 L HN 0.337 nan 8.230 nan 0.000 0.433 296 L N 0.108 121.319 121.223 -0.020 0.000 2.013 296 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 296 L C 2.764 179.616 176.870 -0.031 0.000 1.073 296 L CA 2.276 57.131 54.840 0.025 0.000 0.753 296 L CB -0.784 41.311 42.059 0.060 0.000 0.890 296 L HN 0.405 nan 8.230 nan 0.000 0.432 297 R N -1.092 119.375 120.500 -0.055 0.000 2.083 297 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 297 R C 2.063 178.342 176.300 -0.035 0.000 1.137 297 R CA 2.153 58.234 56.100 -0.032 0.000 0.951 297 R CB -0.365 29.936 30.300 0.002 0.000 0.851 297 R HN 0.384 nan 8.270 nan 0.000 0.434 298 V N 0.855 120.670 119.914 -0.165 0.000 2.307 298 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 298 V C 2.283 178.404 176.094 0.045 0.000 1.045 298 V CA 2.122 64.329 62.300 -0.154 0.000 1.024 298 V CB -0.604 30.841 31.823 -0.629 0.000 0.651 298 V HN 0.400 nan 8.190 nan 0.000 0.449 299 E N 1.491 121.739 120.200 0.080 0.000 2.051 299 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 299 E C 2.357 179.044 176.600 0.145 0.000 0.991 299 E CA 2.006 58.526 56.400 0.200 0.000 0.799 299 E CB -0.455 29.387 29.700 0.237 0.000 0.748 299 E HN 0.713 nan 8.360 nan 0.000 0.449 300 S N 0.096 115.856 115.700 0.100 0.000 2.368 300 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 300 S C 1.622 176.360 174.600 0.228 0.000 1.030 300 S CA 1.289 59.604 58.200 0.192 0.000 0.999 300 S CB -0.451 62.823 63.200 0.123 0.000 0.844 300 S HN 0.209 nan 8.310 nan 0.000 0.459 301 D N 2.379 122.856 120.400 0.129 0.000 2.144 301 D HA 0.127 4.767 4.640 -0.000 0.000 0.200 301 D C 2.259 178.591 176.300 0.053 0.000 0.978 301 D CA 1.285 55.331 54.000 0.078 0.000 0.833 301 D CB -0.662 40.183 40.800 0.075 0.000 0.961 301 D HN 0.539 nan 8.370 nan 0.000 0.470 302 A N 1.047 123.932 122.820 0.108 0.000 1.902 302 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 302 A C 2.190 179.867 177.584 0.155 0.000 1.181 302 A CA 1.243 53.367 52.037 0.145 0.000 0.623 302 A CB -0.389 18.726 19.000 0.192 0.000 0.818 302 A HN 0.115 nan 8.150 nan 0.000 0.443 303 R N -1.188 119.426 120.500 0.190 0.000 2.073 303 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 303 R C 2.191 178.625 176.300 0.224 0.000 1.134 303 R CA 1.461 57.674 56.100 0.189 0.000 0.952 303 R CB -0.567 29.841 30.300 0.180 0.000 0.850 303 R HN 0.518 nan 8.270 nan 0.000 0.433 304 L N 1.049 122.465 121.223 0.322 0.000 2.005 304 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 304 L C 1.955 178.862 176.870 0.060 0.000 1.072 304 L CA 1.710 56.707 54.840 0.261 0.000 0.744 304 L CB -0.410 41.694 42.059 0.076 0.000 0.895 304 L HN 0.114 nan 8.230 nan 0.000 0.433 305 L N -0.479 120.724 121.223 -0.033 0.000 2.056 305 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 305 L C 2.766 179.593 176.870 -0.072 0.000 1.078 305 L CA 1.429 56.208 54.840 -0.102 0.000 0.749 305 L CB -0.983 40.953 42.059 -0.206 0.000 0.901 305 L HN 0.546 nan 8.230 nan 0.000 0.433 306 S N 0.022 115.655 115.700 -0.112 0.000 2.383 306 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 306 S C 2.120 176.644 174.600 -0.128 0.000 1.030 306 S CA 1.251 59.304 58.200 -0.246 0.000 1.002 306 S CB -0.489 62.187 63.200 -0.874 0.000 0.829 306 S HN 0.372 nan 8.310 nan 0.000 0.467 307 R N 1.059 121.530 120.500 -0.048 0.000 2.073 307 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 307 R C 2.411 178.728 176.300 0.030 0.000 1.134 307 R CA 1.714 57.824 56.100 0.015 0.000 0.952 307 R CB -0.514 29.837 30.300 0.084 0.000 0.850 307 R HN 0.506 nan 8.270 nan 0.000 0.433 308 L N 0.661 121.901 121.223 0.029 0.000 2.093 308 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 308 L C 2.534 179.424 176.870 0.033 0.000 1.085 308 L CA 1.015 55.871 54.840 0.025 0.000 0.755 308 L CB -0.439 41.623 42.059 0.004 0.000 0.904 308 L HN 0.288 nan 8.230 nan 0.000 0.435 309 L N -0.988 120.262 121.223 0.045 0.000 2.027 309 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 309 L C 2.775 179.757 176.870 0.187 0.000 1.074 309 L CA 1.013 55.934 54.840 0.136 0.000 0.745 309 L CB -0.342 41.777 42.059 0.100 0.000 0.898 309 L HN 0.299 nan 8.230 nan 0.000 0.433 310 M N -0.941 118.737 119.600 0.130 0.000 2.175 310 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 310 M C 2.350 178.641 176.300 -0.015 0.000 1.063 310 M CA 1.479 56.827 55.300 0.080 0.000 1.119 310 M CB -1.148 31.497 32.600 0.075 0.000 1.377 310 M HN 0.182 nan 8.290 nan 0.000 0.415 311 R N 0.104 120.605 120.500 0.001 0.000 2.075 311 R HA 0.022 4.362 4.340 -0.000 0.000 0.232 311 R C 2.186 178.464 176.300 -0.036 0.000 1.126 311 R CA 1.492 57.585 56.100 -0.011 0.000 0.963 311 R CB -0.876 29.431 30.300 0.012 0.000 0.858 311 R HN 0.403 nan 8.270 nan 0.000 0.435 312 A N 0.945 123.748 122.820 -0.029 0.000 2.024 312 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 312 A C 2.097 179.596 177.584 -0.141 0.000 1.164 312 A CA 1.766 53.777 52.037 -0.042 0.000 0.643 312 A CB -0.331 18.675 19.000 0.010 0.000 0.806 312 A HN 0.353 nan 8.150 nan 0.000 0.451 313 A N -1.969 120.678 122.820 -0.288 0.000 2.251 313 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 313 A C 1.682 179.117 177.584 -0.249 0.000 1.187 313 A CA 1.120 52.856 52.037 -0.502 0.000 0.823 313 A CB -0.813 17.515 19.000 -1.121 0.000 0.846 313 A HN 1.884 nan 8.150 nan 0.000 0.486 314 G N -1.968 106.752 108.800 -0.134 0.000 2.132 314 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.228 314 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.228 314 G C 0.042 174.917 174.900 -0.041 0.000 1.000 314 G CA 0.022 45.082 45.100 -0.067 0.000 0.693 314 G HN 0.595 nan 8.290 nan 0.000 0.515 315 c N 0.686 119.262 118.600 -0.039 0.000 2.391 315 c HA 0.645 5.215 4.570 -0.000 0.000 0.339 315 c C 0.061 174.156 174.090 0.007 0.000 1.205 315 c CA -0.746 55.580 56.329 -0.005 0.000 1.937 315 c CB 1.767 44.284 42.510 0.012 0.000 2.341 315 c HN 0.319 nan 8.230 nan 0.000 0.516 316 P HA 0.026 nan 4.420 nan 0.000 0.221 316 P C -0.024 177.290 177.300 0.022 0.000 1.150 316 P CA 1.213 64.324 63.100 0.018 0.000 0.800 316 P CB 0.378 32.089 31.700 0.018 0.000 0.787 317 A N -0.722 122.114 122.820 0.026 0.000 2.475 317 A HA 0.659 4.979 4.320 -0.000 0.000 0.301 317 A C 0.260 177.856 177.584 0.019 0.000 1.059 317 A CA -0.251 51.801 52.037 0.026 0.000 0.710 317 A CB 1.358 20.376 19.000 0.029 0.000 1.288 317 A HN 0.151 nan 8.150 nan 0.000 0.408 318 G N -0.287 108.512 108.800 -0.003 0.000 2.574 318 G HA2 0.549 4.509 3.960 -0.000 0.000 0.248 318 G HA3 0.549 4.509 3.960 -0.000 0.000 0.248 318 G C -0.292 174.601 174.900 -0.011 0.000 1.422 318 G CA -0.905 44.142 45.100 -0.089 0.000 1.051 318 G HN 0.583 nan 8.290 nan 0.000 0.560 319 F N 0.670 120.613 119.950 -0.011 0.000 2.538 319 F HA 0.320 4.847 4.527 -0.000 0.000 0.371 319 F C 1.749 177.527 175.800 -0.036 0.000 1.087 319 F CA -0.387 57.578 58.000 -0.059 0.000 1.250 319 F CB 1.227 40.156 39.000 -0.119 0.000 1.110 319 F HN 0.434 nan 8.300 nan 0.000 0.570 320 A N 3.459 126.369 122.820 0.150 0.000 1.933 320 A HA 0.288 4.608 4.320 -0.000 0.000 0.218 320 A C 1.153 178.778 177.584 0.068 0.000 1.175 320 A CA 1.410 53.489 52.037 0.070 0.000 0.628 320 A CB -0.565 18.459 19.000 0.041 0.000 0.814 320 A HN 0.928 nan 8.150 nan 0.000 0.444 321 G N -2.974 105.863 108.800 0.061 0.000 2.667 321 G HA2 0.472 4.431 3.960 -0.000 0.000 0.294 321 G HA3 0.472 4.431 3.960 -0.000 0.000 0.294 321 G C -0.339 174.512 174.900 -0.081 0.000 1.467 321 G CA 0.085 45.209 45.100 0.039 0.000 0.852 321 G HN 0.504 nan 8.290 nan 0.000 0.521 322 L N 0.263 121.414 121.223 -0.120 0.000 2.670 322 L HA 0.622 4.962 4.340 -0.000 0.000 0.177 322 L C 0.543 177.188 176.870 -0.375 0.000 1.181 322 L CA 0.541 55.148 54.840 -0.389 0.000 0.856 322 L CB -0.261 41.477 42.059 -0.535 0.000 1.205 322 L HN 0.402 nan 8.230 nan 0.000 0.506 323 F N 2.798 122.758 119.950 0.016 0.000 2.652 323 F HA 0.218 4.745 4.527 -0.000 0.000 0.352 323 F C 0.119 175.944 175.800 0.042 0.000 1.259 323 F CA -0.837 57.188 58.000 0.041 0.000 1.249 323 F CB -0.982 38.072 39.000 0.090 0.000 1.628 323 F HN 0.062 nan 8.300 nan 0.000 0.654 324 D N 1.690 122.154 120.400 0.107 0.000 2.383 324 D HA 0.225 4.865 4.640 -0.000 0.000 0.252 324 D C 1.335 177.674 176.300 0.066 0.000 1.166 324 D CA 1.100 55.139 54.000 0.064 0.000 0.879 324 D CB 1.485 42.288 40.800 0.005 0.000 1.164 324 D HN 0.743 nan 8.370 nan 0.000 0.462 325 G N 3.636 112.467 108.800 0.052 0.000 2.377 325 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.250 325 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.250 325 G C 1.379 176.283 174.900 0.007 0.000 1.039 325 G CA 0.553 45.661 45.100 0.013 0.000 0.625 325 G HN 0.529 nan 8.290 nan 0.000 0.526 326 R N 0.750 121.285 120.500 0.058 0.000 2.070 326 R HA 0.221 4.561 4.340 -0.000 0.000 0.233 326 R C 3.199 179.522 176.300 0.038 0.000 1.137 326 R CA 2.000 58.133 56.100 0.056 0.000 0.945 326 R CB -0.492 29.871 30.300 0.104 0.000 0.845 326 R HN 0.599 nan 8.270 nan 0.000 0.430 327 A N 0.861 123.742 122.820 0.101 0.000 1.933 327 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 327 A C 1.952 179.490 177.584 -0.076 0.000 1.175 327 A CA 1.360 53.487 52.037 0.150 0.000 0.628 327 A CB -0.344 18.890 19.000 0.390 0.000 0.814 327 A HN 0.366 nan 8.150 nan 0.000 0.444 328 E N -0.661 119.297 120.200 -0.402 0.000 2.274 328 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 328 E C 2.097 178.466 176.600 -0.385 0.000 0.996 328 E CA 0.405 56.307 56.400 -0.831 0.000 0.840 328 E CB 0.012 29.234 29.700 -0.796 0.000 0.772 328 E HN 0.564 nan 8.360 nan 0.000 0.491 329 R N -0.172 120.209 120.500 -0.198 0.000 2.161 329 R HA 0.059 4.399 4.340 -0.000 0.000 0.213 329 R C 0.400 176.655 176.300 -0.075 0.000 1.055 329 R CA 0.080 56.111 56.100 -0.114 0.000 0.996 329 R CB 0.382 30.640 30.300 -0.070 0.000 0.901 329 R HN -0.026 nan 8.270 nan 0.000 0.456 330 V N 3.754 123.634 119.914 -0.057 0.000 2.585 330 V HA 0.070 4.190 4.120 -0.000 0.000 0.296 330 V C -1.916 174.172 176.094 -0.011 0.000 1.035 330 V CA -1.417 60.873 62.300 -0.016 0.000 1.084 330 V CB 0.470 32.303 31.823 0.015 0.000 0.953 330 V HN 0.077 nan 8.190 nan 0.000 0.483 331 P HA 0.096 nan 4.420 nan 0.000 0.266 331 P C -0.652 176.664 177.300 0.025 0.000 1.193 331 P CA -0.005 63.099 63.100 0.006 0.000 0.770 331 P CB 0.331 32.035 31.700 0.006 0.000 0.836 332 V N 2.529 122.463 119.914 0.033 0.000 2.370 332 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 332 V C 0.582 176.697 176.094 0.035 0.000 1.029 332 V CA -0.802 61.527 62.300 0.049 0.000 0.870 332 V CB 0.869 32.734 31.823 0.070 0.000 0.984 332 V HN 0.718 nan 8.190 nan 0.000 0.451 333 A N 6.955 129.795 122.820 0.032 0.000 2.407 333 A HA 0.502 4.822 4.320 -0.000 0.000 0.248 333 A C -1.125 176.474 177.584 0.026 0.000 1.082 333 A CA -0.998 51.055 52.037 0.027 0.000 0.785 333 A CB 0.032 19.048 19.000 0.026 0.000 1.020 333 A HN 0.703 nan 8.150 nan 0.000 0.489 334 P HA -0.244 nan 4.420 nan 0.000 0.216 334 P C 1.453 178.769 177.300 0.027 0.000 1.154 334 P CA 2.507 65.622 63.100 0.025 0.000 0.865 334 P CB 0.093 31.808 31.700 0.024 0.000 0.789 335 A N -1.001 121.835 122.820 0.026 0.000 2.172 335 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 335 A C 1.428 179.023 177.584 0.019 0.000 1.154 335 A CA 1.549 53.603 52.037 0.028 0.000 0.701 335 A CB -0.805 18.211 19.000 0.027 0.000 0.789 335 A HN 0.109 nan 8.150 nan 0.000 0.465 336 D N -1.317 119.087 120.400 0.008 0.000 2.431 336 D HA 0.070 4.710 4.640 -0.000 0.000 0.213 336 D C 1.621 177.901 176.300 -0.033 0.000 1.130 336 D CA 0.046 54.032 54.000 -0.023 0.000 0.834 336 D CB 0.068 40.863 40.800 -0.009 0.000 0.985 336 D HN 0.521 nan 8.370 nan 0.000 0.504 337 Q N 0.325 120.125 119.800 -0.000 0.000 2.061 337 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 337 Q C 2.115 178.116 176.000 0.001 0.000 0.984 337 Q CA 1.025 56.838 55.803 0.016 0.000 0.846 337 Q CB 0.127 28.883 28.738 0.030 0.000 0.902 337 Q HN 0.321 nan 8.270 nan 0.000 0.421 338 L N -0.002 121.218 121.223 -0.004 0.000 2.027 338 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 338 L C 2.691 179.464 176.870 -0.162 0.000 1.074 338 L CA 1.062 55.912 54.840 0.016 0.000 0.745 338 L CB -0.460 41.673 42.059 0.122 0.000 0.898 338 L HN 0.192 nan 8.230 nan 0.000 0.433 339 R N 0.556 120.752 120.500 -0.507 0.000 2.083 339 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 339 R C 2.320 178.351 176.300 -0.447 0.000 1.137 339 R CA 1.703 57.140 56.100 -1.105 0.000 0.951 339 R CB -0.292 29.479 30.300 -0.881 0.000 0.851 339 R HN 0.341 nan 8.270 nan 0.000 0.434 340 A N 0.701 123.398 122.820 -0.205 0.000 1.902 340 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 340 A C 2.388 179.974 177.584 0.002 0.000 1.181 340 A CA 1.716 53.711 52.037 -0.070 0.000 0.623 340 A CB -0.824 18.256 19.000 0.134 0.000 0.818 340 A HN 0.573 nan 8.150 nan 0.000 0.443 341 A N -1.640 121.206 122.820 0.043 0.000 1.940 341 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 341 A C 1.994 179.634 177.584 0.092 0.000 1.176 341 A CA 1.606 53.695 52.037 0.086 0.000 0.631 341 A CB -0.851 18.201 19.000 0.087 0.000 0.814 341 A HN 0.880 nan 8.150 nan 0.000 0.446 342 W N 0.922 122.172 121.300 -0.083 0.000 2.407 342 W HA -0.115 4.545 4.660 -0.000 0.000 0.305 342 W C 2.217 178.675 176.519 -0.102 0.000 1.196 342 W CA 2.283 59.617 57.345 -0.018 0.000 1.311 342 W CB -0.388 29.162 29.460 0.150 0.000 1.135 342 W HN 0.257 nan 8.180 nan 0.000 0.514 343 T N 0.692 115.170 114.554 -0.127 0.000 2.746 343 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 343 T C 1.040 175.347 174.700 -0.656 0.000 1.039 343 T CA 1.614 63.400 62.100 -0.523 0.000 1.142 343 T CB -0.504 67.917 68.868 -0.745 0.000 0.866 343 T HN 0.034 nan 8.240 nan 0.000 0.444 344 F N 0.274 120.180 119.950 -0.074 0.000 2.678 344 F HA 0.464 4.991 4.527 0.000 0.000 0.305 344 F C 1.689 177.439 175.800 -0.084 0.000 1.090 344 F CA -0.940 57.019 58.000 -0.068 0.000 1.272 344 F CB -0.522 38.461 39.000 -0.028 0.000 1.060 344 F HN 0.200 nan 8.300 nan 0.000 0.576 345 G N 1.523 110.308 108.800 -0.025 0.000 2.338 345 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.296 345 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.296 345 G C 0.077 174.992 174.900 0.026 0.000 1.040 345 G CA -0.007 45.069 45.100 -0.038 0.000 1.004 345 G HN 0.434 nan 8.290 nan 0.000 0.509 346 E N -0.099 120.140 120.200 0.064 0.000 2.408 346 E HA 0.243 4.593 4.350 -0.000 0.000 0.259 346 E C 0.462 177.087 176.600 0.041 0.000 1.110 346 E CA -0.396 56.044 56.400 0.067 0.000 0.929 346 E CB 0.593 30.348 29.700 0.091 0.000 0.971 346 E HN 0.317 nan 8.360 nan 0.000 0.438 347 D N 2.326 122.745 120.400 0.032 0.000 2.570 347 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 347 D C -1.749 174.569 176.300 0.030 0.000 1.171 347 D CA -1.110 52.905 54.000 0.025 0.000 0.879 347 D CB 0.733 41.545 40.800 0.019 0.000 1.143 347 D HN 0.092 nan 8.370 nan 0.000 0.511 348 P HA -0.006 nan 4.420 nan 0.000 0.223 348 P C 1.039 178.356 177.300 0.029 0.000 1.151 348 P CA 0.950 64.070 63.100 0.033 0.000 0.787 348 P CB 0.118 31.837 31.700 0.031 0.000 0.788 349 A N 1.565 124.398 122.820 0.022 0.000 1.903 349 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 349 A C 0.031 177.627 177.584 0.020 0.000 1.191 349 A CA 2.158 54.207 52.037 0.019 0.000 0.638 349 A CB -2.373 16.635 19.000 0.015 0.000 0.823 349 A HN 0.259 nan 8.150 nan 0.000 0.451 350 P HA -0.076 nan 4.420 nan 0.000 0.226 350 P C 0.628 177.944 177.300 0.026 0.000 1.153 350 P CA 0.732 63.846 63.100 0.022 0.000 0.777 350 P CB -0.008 31.705 31.700 0.022 0.000 0.794 351 R N -0.921 119.598 120.500 0.031 0.000 2.393 351 R HA 0.295 4.635 4.340 -0.000 0.000 0.244 351 R C 2.030 178.351 176.300 0.034 0.000 0.920 351 R CA -0.238 55.883 56.100 0.036 0.000 1.076 351 R CB -0.506 29.821 30.300 0.045 0.000 1.119 351 R HN 0.288 nan 8.270 nan 0.000 0.524 352 L N 0.788 122.028 121.223 0.027 0.000 2.027 352 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 352 L C 1.493 178.375 176.870 0.020 0.000 1.074 352 L CA 1.555 56.409 54.840 0.023 0.000 0.745 352 L CB -0.232 41.838 42.059 0.018 0.000 0.898 352 L HN 0.045 nan 8.230 nan 0.000 0.433 353 D N -0.202 120.210 120.400 0.020 0.000 2.123 353 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 353 D C 1.952 178.265 176.300 0.022 0.000 0.992 353 D CA 1.015 55.026 54.000 0.019 0.000 0.833 353 D CB -0.202 40.609 40.800 0.018 0.000 0.954 353 D HN 0.102 nan 8.370 nan 0.000 0.455 354 L N 0.789 122.028 121.223 0.026 0.000 1.989 354 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 354 L C 2.072 178.963 176.870 0.034 0.000 1.071 354 L CA 2.204 57.063 54.840 0.032 0.000 0.749 354 L CB -0.874 41.207 42.059 0.036 0.000 0.890 354 L HN 0.010 nan 8.230 nan 0.000 0.431 355 A N -0.564 122.277 122.820 0.034 0.000 1.877 355 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 355 A C 2.455 180.049 177.584 0.017 0.000 1.186 355 A CA 1.855 53.911 52.037 0.032 0.000 0.620 355 A CB -0.604 18.415 19.000 0.031 0.000 0.822 355 A HN 0.515 nan 8.150 nan 0.000 0.443 356 R N -0.750 119.757 120.500 0.013 0.000 2.073 356 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 356 R C 2.491 178.797 176.300 0.010 0.000 1.134 356 R CA 1.301 57.404 56.100 0.006 0.000 0.952 356 R CB -0.445 29.859 30.300 0.007 0.000 0.850 356 R HN 0.528 nan 8.270 nan 0.000 0.433 357 A N 0.208 123.038 122.820 0.017 0.000 1.930 357 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 357 A C 2.151 179.748 177.584 0.022 0.000 1.175 357 A CA 1.798 53.847 52.037 0.021 0.000 0.627 357 A CB -0.673 18.341 19.000 0.023 0.000 0.815 357 A HN 0.283 nan 8.150 nan 0.000 0.443 358 T N -0.156 114.413 114.554 0.025 0.000 2.684 358 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 358 T C 1.893 176.596 174.700 0.004 0.000 1.036 358 T CA 1.753 63.870 62.100 0.029 0.000 1.148 358 T CB -0.503 68.392 68.868 0.046 0.000 0.863 358 T HN 0.164 nan 8.240 nan 0.000 0.436 359 V N 1.703 121.612 119.914 -0.009 0.000 2.295 359 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 359 V C 2.908 178.992 176.094 -0.016 0.000 1.049 359 V CA 1.693 63.971 62.300 -0.037 0.000 1.024 359 V CB -1.280 30.518 31.823 -0.042 0.000 0.648 359 V HN 0.539 nan 8.190 nan 0.000 0.447 360 A N -0.009 122.817 122.820 0.010 0.000 1.883 360 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 360 A C 2.213 179.832 177.584 0.058 0.000 1.186 360 A CA 2.244 54.310 52.037 0.048 0.000 0.624 360 A CB -0.502 18.520 19.000 0.037 0.000 0.822 360 A HN 0.567 nan 8.150 nan 0.000 0.444 361 E N -0.022 120.192 120.200 0.024 0.000 2.072 361 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 361 E C 2.026 178.618 176.600 -0.014 0.000 0.982 361 E CA 1.385 57.794 56.400 0.015 0.000 0.803 361 E CB -0.483 29.232 29.700 0.025 0.000 0.755 361 E HN 0.435 nan 8.360 nan 0.000 0.453 362 A N 0.046 122.830 122.820 -0.060 0.000 1.892 362 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 362 A C 2.267 179.650 177.584 -0.334 0.000 1.188 362 A CA 1.869 53.756 52.037 -0.250 0.000 0.631 362 A CB -1.183 17.567 19.000 -0.417 0.000 0.822 362 A HN 0.559 nan 8.150 nan 0.000 0.447 363 Y N 0.455 120.586 120.300 -0.283 0.000 2.163 363 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 363 Y C 2.488 178.329 175.900 -0.098 0.000 1.136 363 Y CA 1.907 59.885 58.100 -0.203 0.000 1.147 363 Y CB -0.363 38.016 38.460 -0.136 0.000 0.987 363 Y HN 0.254 nan 8.280 nan 0.000 0.509 364 R N -0.102 120.271 120.500 -0.212 0.000 2.105 364 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 364 R C 2.395 178.588 176.300 -0.178 0.000 1.135 364 R CA 1.724 57.688 56.100 -0.227 0.000 0.967 364 R CB -0.268 29.991 30.300 -0.069 0.000 0.861 364 R HN 0.378 nan 8.270 nan 0.000 0.442 365 R N -0.138 120.312 120.500 -0.084 0.000 2.062 365 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 365 R C 2.536 178.852 176.300 0.027 0.000 1.136 365 R CA 1.554 57.659 56.100 0.008 0.000 0.948 365 R CB -0.543 29.825 30.300 0.113 0.000 0.845 365 R HN 0.107 nan 8.270 nan 0.000 0.430 366 S N 0.469 116.199 115.700 0.050 0.000 2.372 366 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 366 S C 1.964 176.544 174.600 -0.034 0.000 1.044 366 S CA 1.682 59.947 58.200 0.107 0.000 1.050 366 S CB -0.302 62.928 63.200 0.051 0.000 0.901 366 S HN 0.222 nan 8.310 nan 0.000 0.447 367 V N 1.017 120.798 119.914 -0.223 0.000 2.970 367 V HA 0.112 4.232 4.120 -0.000 0.000 0.260 367 V C 2.107 178.127 176.094 -0.124 0.000 1.100 367 V CA 1.512 63.677 62.300 -0.225 0.000 1.122 367 V CB -0.510 31.034 31.823 -0.465 0.000 0.721 367 V HN 0.414 nan 8.190 nan 0.000 0.483 368 R N -0.463 119.978 120.500 -0.098 0.000 2.359 368 R HA 0.282 4.622 4.340 -0.000 0.000 0.231 368 R C 1.423 177.710 176.300 -0.023 0.000 0.913 368 R CA 0.640 56.706 56.100 -0.057 0.000 1.075 368 R CB 0.395 30.662 30.300 -0.055 0.000 1.087 368 R HN 0.523 nan 8.270 nan 0.000 0.515 369 G N 1.568 110.364 108.800 -0.006 0.000 2.136 369 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.242 369 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.242 369 G C -0.268 174.643 174.900 0.018 0.000 0.989 369 G CA 0.001 45.108 45.100 0.012 0.000 0.682 369 G HN 0.253 nan 8.290 nan 0.000 0.522 370 K N 1.226 121.647 120.400 0.036 0.000 2.130 370 K HA 0.530 4.850 4.320 -0.000 0.000 0.268 370 K C -2.228 174.407 176.600 0.057 0.000 0.983 370 K CA -1.933 54.376 56.287 0.038 0.000 0.893 370 K CB 1.795 34.319 32.500 0.040 0.000 1.066 370 K HN 0.058 nan 8.250 nan 0.000 0.450 371 P HA 0.066 nan 4.420 nan 0.000 0.271 371 P C -1.031 176.254 177.300 -0.025 0.000 1.218 371 P CA -0.144 62.883 63.100 -0.122 0.000 0.780 371 P CB 0.290 31.909 31.700 -0.136 0.000 0.901 372 F N -1.453 118.497 119.950 -0.000 0.000 2.611 372 F HA 0.513 5.040 4.527 -0.000 0.000 0.324 372 F C -0.116 175.687 175.800 0.005 0.000 1.061 372 F CA -1.613 56.390 58.000 0.005 0.000 0.954 372 F CB 0.560 39.567 39.000 0.013 0.000 1.301 372 F HN 0.048 nan 8.300 nan 0.000 0.482 373 D N 2.322 122.867 120.400 0.241 0.000 2.383 373 D HA 0.013 4.653 4.640 -0.000 0.000 0.245 373 D C 1.071 177.517 176.300 0.243 0.000 1.263 373 D CA 0.086 54.172 54.000 0.144 0.000 0.936 373 D CB 0.886 41.758 40.800 0.119 0.000 1.053 373 D HN 0.724 nan 8.370 nan 0.000 0.507 374 Q N 2.975 122.854 119.800 0.132 0.000 2.230 374 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 374 Q C 1.135 177.191 176.000 0.093 0.000 0.963 374 Q CA 1.049 56.970 55.803 0.196 0.000 0.866 374 Q CB -0.125 28.645 28.738 0.053 0.000 0.931 374 Q HN 0.586 nan 8.270 nan 0.000 0.452 375 Q N 0.732 120.545 119.800 0.022 0.000 2.016 375 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 375 Q C 2.268 178.345 176.000 0.129 0.000 0.978 375 Q CA 1.605 57.400 55.803 -0.013 0.000 0.833 375 Q CB -0.195 28.533 28.738 -0.018 0.000 0.895 375 Q HN 0.560 nan 8.270 nan 0.000 0.427 376 A N 0.976 123.904 122.820 0.180 0.000 1.933 376 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 376 A C 2.074 179.762 177.584 0.174 0.000 1.175 376 A CA 1.156 53.326 52.037 0.221 0.000 0.628 376 A CB -0.696 18.397 19.000 0.156 0.000 0.814 376 A HN 0.349 nan 8.150 nan 0.000 0.444 377 L N -1.300 120.008 121.223 0.143 0.000 2.013 377 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 377 L C 2.223 179.109 176.870 0.026 0.000 1.073 377 L CA 2.542 57.436 54.840 0.089 0.000 0.753 377 L CB -0.749 41.383 42.059 0.123 0.000 0.890 377 L HN 0.462 nan 8.230 nan 0.000 0.432 378 F N -0.484 119.375 119.950 -0.151 0.000 2.065 378 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 378 F C 2.000 177.612 175.800 -0.313 0.000 1.112 378 F CA 1.925 59.731 58.000 -0.324 0.000 1.212 378 F CB -0.522 38.119 39.000 -0.597 0.000 0.975 378 F HN 0.107 nan 8.300 nan 0.000 0.476 379 F N 0.498 120.413 119.950 -0.059 0.000 2.234 379 F HA -0.023 4.504 4.527 0.000 0.000 0.299 379 F C 2.548 178.294 175.800 -0.090 0.000 1.087 379 F CA 0.948 58.884 58.000 -0.106 0.000 1.340 379 F CB -1.575 37.440 39.000 0.026 0.000 1.031 379 F HN 0.093 nan 8.300 nan 0.000 0.500 380 A N 0.093 122.968 122.820 0.092 0.000 1.877 380 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 380 A C 2.405 179.971 177.584 -0.030 0.000 1.186 380 A CA 1.975 54.036 52.037 0.040 0.000 0.620 380 A CB -1.239 17.782 19.000 0.035 0.000 0.822 380 A HN 0.152 nan 8.150 nan 0.000 0.443 381 V N 0.035 119.885 119.914 -0.107 0.000 2.287 381 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 381 V C 3.074 179.072 176.094 -0.161 0.000 1.053 381 V CA 2.038 64.251 62.300 -0.145 0.000 1.027 381 V CB -1.380 30.330 31.823 -0.188 0.000 0.646 381 V HN 0.632 nan 8.190 nan 0.000 0.447 382 A N -0.388 122.279 122.820 -0.256 0.000 1.917 382 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 382 A C 2.198 179.793 177.584 0.018 0.000 1.182 382 A CA 2.334 54.290 52.037 -0.136 0.000 0.633 382 A CB -0.611 18.337 19.000 -0.088 0.000 0.819 382 A HN 0.449 nan 8.150 nan 0.000 0.448 383 L N -0.537 120.714 121.223 0.047 0.000 2.027 383 L HA -0.080 4.259 4.340 -0.000 0.000 0.206 383 L C 2.419 179.303 176.870 0.023 0.000 1.074 383 L CA 1.599 56.473 54.840 0.058 0.000 0.745 383 L CB -0.374 41.727 42.059 0.070 0.000 0.898 383 L HN 0.415 nan 8.230 nan 0.000 0.433 384 L N -1.258 119.966 121.223 0.002 0.000 2.083 384 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 384 L C 2.299 179.162 176.870 -0.011 0.000 1.083 384 L CA 1.099 55.935 54.840 -0.007 0.000 0.752 384 L CB -0.484 41.564 42.059 -0.018 0.000 0.899 384 L HN 0.280 nan 8.230 nan 0.000 0.433 385 L N -0.364 120.847 121.223 -0.019 0.000 2.313 385 L HA -0.086 4.254 4.340 -0.000 0.000 0.214 385 L C 2.713 179.581 176.870 -0.002 0.000 1.119 385 L CA 0.685 55.515 54.840 -0.016 0.000 0.809 385 L CB -0.433 41.610 42.059 -0.027 0.000 0.933 385 L HN 0.382 nan 8.230 nan 0.000 0.449 386 R N 0.924 121.428 120.500 0.007 0.000 2.140 386 R HA 0.157 4.497 4.340 -0.000 0.000 0.213 386 R C 1.059 177.365 176.300 0.010 0.000 1.059 386 R CA 1.017 57.125 56.100 0.013 0.000 1.000 386 R CB 0.075 30.389 30.300 0.022 0.000 0.910 386 R HN 0.094 nan 8.270 nan 0.000 0.455 387 A N 0.960 123.787 122.820 0.011 0.000 2.758 387 A HA 0.388 4.708 4.320 -0.000 0.000 0.223 387 A C 0.050 177.639 177.584 0.008 0.000 0.877 387 A CA -0.289 51.754 52.037 0.010 0.000 1.152 387 A CB 0.359 19.367 19.000 0.013 0.000 1.239 387 A HN 0.367 nan 8.150 nan 0.000 0.470 388 G N 0.147 108.950 108.800 0.004 0.000 2.491 388 G HA2 0.483 4.443 3.960 -0.000 0.000 0.242 388 G HA3 0.483 4.443 3.960 -0.000 0.000 0.242 388 G C 0.700 175.601 174.900 0.001 0.000 1.266 388 G CA 0.326 45.427 45.100 0.001 0.000 0.844 388 G HN 0.817 nan 8.290 nan 0.000 0.571 389 G N 1.005 109.805 108.800 0.001 0.000 2.647 389 G HA2 0.390 4.350 3.960 -0.000 0.000 0.271 389 G HA3 0.390 4.350 3.960 -0.000 0.000 0.271 389 G C -2.241 172.658 174.900 -0.001 0.000 1.300 389 G CA -0.703 44.397 45.100 0.001 0.000 0.997 389 G HN 0.563 nan 8.290 nan 0.000 0.533 390 P HA 0.243 nan 4.420 nan 0.000 0.267 390 P C 0.771 178.069 177.300 -0.004 0.000 1.209 390 P CA 1.282 64.380 63.100 -0.002 0.000 0.763 390 P CB 0.837 32.536 31.700 -0.001 0.000 0.816 391 G N 3.184 111.980 108.800 -0.006 0.000 2.179 391 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 391 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 391 G C 0.969 175.862 174.900 -0.012 0.000 0.977 391 G CA 0.298 45.393 45.100 -0.008 0.000 0.641 391 G HN 0.419 nan 8.290 nan 0.000 0.533 392 D N 0.595 120.988 120.400 -0.011 0.000 2.097 392 D HA 0.120 4.760 4.640 -0.000 0.000 0.197 392 D C 2.742 179.029 176.300 -0.021 0.000 0.984 392 D CA 1.690 55.681 54.000 -0.015 0.000 0.826 392 D CB -0.612 40.182 40.800 -0.010 0.000 0.973 392 D HN 0.657 nan 8.370 nan 0.000 0.460 393 A N 1.013 123.822 122.820 -0.018 0.000 1.902 393 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 393 A C 2.179 179.748 177.584 -0.024 0.000 1.181 393 A CA 1.637 53.662 52.037 -0.021 0.000 0.623 393 A CB -0.476 18.515 19.000 -0.015 0.000 0.818 393 A HN 0.136 nan 8.150 nan 0.000 0.443 394 R N -0.521 119.967 120.500 -0.021 0.000 2.062 394 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 394 R C 1.914 178.194 176.300 -0.033 0.000 1.136 394 R CA 1.569 57.657 56.100 -0.020 0.000 0.948 394 R CB -0.310 29.982 30.300 -0.014 0.000 0.845 394 R HN 0.444 nan 8.270 nan 0.000 0.430 395 E N 0.031 120.208 120.200 -0.038 0.000 2.118 395 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 395 E C 1.932 178.482 176.600 -0.084 0.000 0.992 395 E CA 1.792 58.157 56.400 -0.059 0.000 0.804 395 E CB -0.279 29.392 29.700 -0.048 0.000 0.741 395 E HN 0.430 nan 8.360 nan 0.000 0.458 396 T N 1.599 116.114 114.554 -0.065 0.000 2.737 396 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 396 T C 2.132 176.786 174.700 -0.077 0.000 1.038 396 T CA 0.811 62.868 62.100 -0.071 0.000 1.144 396 T CB -0.171 68.665 68.868 -0.054 0.000 0.866 396 T HN 0.095 nan 8.240 nan 0.000 0.434 397 L N 0.303 121.491 121.223 -0.057 0.000 2.156 397 L HA 0.068 4.408 4.340 -0.000 0.000 0.208 397 L C 2.441 179.281 176.870 -0.049 0.000 1.095 397 L CA 0.633 55.447 54.840 -0.043 0.000 0.770 397 L CB -0.542 41.505 42.059 -0.022 0.000 0.914 397 L HN 0.226 nan 8.230 nan 0.000 0.439 398 L N -0.378 120.804 121.223 -0.068 0.000 2.012 398 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 398 L C 2.894 179.661 176.870 -0.171 0.000 1.073 398 L CA 1.541 56.326 54.840 -0.092 0.000 0.748 398 L CB -0.350 41.646 42.059 -0.105 0.000 0.891 398 L HN 0.236 nan 8.230 nan 0.000 0.431 399 R N -0.795 119.559 120.500 -0.243 0.000 2.073 399 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 399 R C 2.362 178.571 176.300 -0.152 0.000 1.120 399 R CA 1.836 57.722 56.100 -0.357 0.000 0.967 399 R CB -0.567 29.513 30.300 -0.367 0.000 0.862 399 R HN 0.520 nan 8.270 nan 0.000 0.436 400 T N -1.702 112.796 114.554 -0.093 0.000 2.821 400 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 400 T C 1.912 176.613 174.700 0.000 0.000 1.046 400 T CA 1.711 63.788 62.100 -0.037 0.000 1.139 400 T CB -0.427 68.424 68.868 -0.029 0.000 0.871 400 T HN 0.088 nan 8.240 nan 0.000 0.454 401 T N 2.294 116.843 114.554 -0.009 0.000 2.708 401 T HA 0.112 4.462 4.350 -0.000 0.000 0.266 401 T C 2.515 177.235 174.700 0.033 0.000 1.037 401 T CA 1.271 63.380 62.100 0.016 0.000 1.146 401 T CB -0.889 67.990 68.868 0.019 0.000 0.865 401 T HN 0.598 nan 8.240 nan 0.000 0.435 402 A N 1.315 124.150 122.820 0.026 0.000 1.940 402 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 402 A C 2.366 180.051 177.584 0.168 0.000 1.176 402 A CA 1.493 53.594 52.037 0.106 0.000 0.631 402 A CB -0.712 18.355 19.000 0.112 0.000 0.814 402 A HN 0.437 nan 8.150 nan 0.000 0.446 403 M N -1.399 118.290 119.600 0.148 0.000 2.099 403 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 403 M C 1.265 177.649 176.300 0.141 0.000 1.067 403 M CA 0.761 56.150 55.300 0.148 0.000 1.124 403 M CB -0.324 32.315 32.600 0.064 0.000 1.353 403 M HN 0.412 nan 8.290 nan 0.000 0.410 404 c N 2.992 121.653 118.600 0.101 0.000 2.773 404 c HA 0.129 4.699 4.570 -0.000 0.000 0.442 404 c C 0.903 175.028 174.090 0.058 0.000 1.028 404 c CA -0.315 56.063 56.329 0.081 0.000 1.164 404 c CB -1.952 40.594 42.510 0.061 0.000 1.593 404 c HN 0.271 nan 8.230 nan 0.000 0.557 405 T N 2.769 117.362 114.554 0.065 0.000 2.802 405 T HA 0.256 4.606 4.350 -0.000 0.000 0.305 405 T C 1.418 176.128 174.700 0.015 0.000 1.053 405 T CA 0.443 62.566 62.100 0.038 0.000 1.058 405 T CB 0.979 69.877 68.868 0.051 0.000 0.988 405 T HN 0.791 nan 8.240 nan 0.000 0.539 406 A N 0.878 123.693 122.820 -0.009 0.000 1.933 406 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 406 A C 2.199 179.778 177.584 -0.009 0.000 1.175 406 A CA 1.922 53.948 52.037 -0.018 0.000 0.628 406 A CB -0.674 18.303 19.000 -0.039 0.000 0.814 406 A HN 0.974 nan 8.150 nan 0.000 0.444 407 E N -0.628 119.568 120.200 -0.007 0.000 2.077 407 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 407 E C 2.238 178.844 176.600 0.010 0.000 0.989 407 E CA 1.428 57.827 56.400 -0.002 0.000 0.800 407 E CB -0.071 29.629 29.700 -0.001 0.000 0.746 407 E HN 0.445 nan 8.360 nan 0.000 0.452 408 R N 0.505 121.020 120.500 0.025 0.000 2.073 408 R HA 0.000 4.340 4.340 -0.000 0.000 0.229 408 R C 2.058 178.377 176.300 0.030 0.000 1.120 408 R CA 1.577 57.699 56.100 0.037 0.000 0.967 408 R CB -0.696 29.650 30.300 0.076 0.000 0.862 408 R HN 0.206 nan 8.270 nan 0.000 0.436 409 A N 0.333 123.169 122.820 0.027 0.000 1.908 409 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 409 A C 2.355 179.946 177.584 0.012 0.000 1.181 409 A CA 1.890 53.939 52.037 0.020 0.000 0.627 409 A CB -1.092 17.916 19.000 0.014 0.000 0.818 409 A HN 0.474 nan 8.150 nan 0.000 0.445 410 A N -0.347 122.476 122.820 0.005 0.000 1.930 410 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 410 A C 2.467 180.052 177.584 0.002 0.000 1.175 410 A CA 1.867 53.904 52.037 0.001 0.000 0.627 410 A CB -0.905 18.092 19.000 -0.005 0.000 0.815 410 A HN 1.048 nan 8.150 nan 0.000 0.443 411 A N -0.033 122.789 122.820 0.003 0.000 1.933 411 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 411 A C 2.464 180.053 177.584 0.009 0.000 1.175 411 A CA 1.980 54.017 52.037 0.001 0.000 0.628 411 A CB -0.911 18.086 19.000 -0.004 0.000 0.814 411 A HN 1.023 nan 8.150 nan 0.000 0.444 412 A N -0.259 122.571 122.820 0.016 0.000 1.930 412 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 412 A C 2.451 180.050 177.584 0.026 0.000 1.175 412 A CA 1.915 53.968 52.037 0.027 0.000 0.627 412 A CB -0.841 18.176 19.000 0.029 0.000 0.815 412 A HN 0.996 nan 8.150 nan 0.000 0.443 413 A N -0.464 122.365 122.820 0.014 0.000 1.929 413 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 413 A C 1.978 179.562 177.584 -0.000 0.000 1.176 413 A CA 1.972 54.014 52.037 0.008 0.000 0.628 413 A CB -0.385 18.618 19.000 0.004 0.000 0.816 413 A HN 0.467 nan 8.150 nan 0.000 0.444 414 E N -0.124 120.074 120.200 -0.003 0.000 2.072 414 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 414 E C 1.790 178.379 176.600 -0.017 0.000 0.985 414 E CA 1.126 57.518 56.400 -0.012 0.000 0.801 414 E CB -0.456 29.236 29.700 -0.013 0.000 0.750 414 E HN 0.366 nan 8.360 nan 0.000 0.452 415 L N 0.463 121.687 121.223 0.001 0.000 2.042 415 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 415 L C 2.152 179.010 176.870 -0.020 0.000 1.076 415 L CA 2.308 57.156 54.840 0.013 0.000 0.749 415 L CB -1.170 40.937 42.059 0.080 0.000 0.893 415 L HN 0.163 nan 8.230 nan 0.000 0.432 416 T N -0.535 114.023 114.554 0.006 0.000 2.635 416 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 416 T C 2.032 176.695 174.700 -0.062 0.000 1.040 416 T CA 1.843 63.935 62.100 -0.014 0.000 1.156 416 T CB -0.275 68.600 68.868 0.011 0.000 0.863 416 T HN 0.310 nan 8.240 nan 0.000 0.430 417 R N 0.519 120.991 120.500 -0.046 0.000 2.094 417 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 417 R C 2.759 179.014 176.300 -0.076 0.000 1.137 417 R CA 1.609 57.679 56.100 -0.050 0.000 0.943 417 R CB -0.580 29.698 30.300 -0.035 0.000 0.850 417 R HN 0.413 nan 8.270 nan 0.000 0.433 418 A N 0.510 123.274 122.820 -0.092 0.000 1.908 418 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 418 A C 2.307 179.782 177.584 -0.181 0.000 1.181 418 A CA 1.891 53.852 52.037 -0.126 0.000 0.627 418 A CB -0.746 18.186 19.000 -0.114 0.000 0.818 418 A HN 0.513 nan 8.150 nan 0.000 0.445 419 A N -0.424 122.252 122.820 -0.241 0.000 1.933 419 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 419 A C 2.002 179.527 177.584 -0.098 0.000 1.175 419 A CA 1.435 53.290 52.037 -0.303 0.000 0.628 419 A CB -0.503 17.991 19.000 -0.844 0.000 0.814 419 A HN 0.482 nan 8.150 nan 0.000 0.444 420 L N -0.109 121.053 121.223 -0.103 0.000 2.554 420 L HA 0.057 4.397 4.340 -0.000 0.000 0.226 420 L C 1.292 178.147 176.870 -0.025 0.000 1.137 420 L CA -0.012 54.791 54.840 -0.061 0.000 0.863 420 L CB -0.359 41.650 42.059 -0.083 0.000 0.985 420 L HN 0.339 nan 8.230 nan 0.000 0.451 421 S N 0.925 116.597 115.700 -0.048 0.000 2.552 421 S HA 0.069 4.539 4.470 -0.000 0.000 0.289 421 S C -1.256 173.334 174.600 -0.018 0.000 1.304 421 S CA -1.053 57.120 58.200 -0.045 0.000 1.063 421 S CB 0.863 64.010 63.200 -0.088 0.000 0.848 421 S HN 0.014 nan 8.310 nan 0.000 0.499 422 P HA 0.043 nan 4.420 nan 0.000 0.230 422 P C 0.776 178.078 177.300 0.003 0.000 1.158 422 P CA 0.722 63.843 63.100 0.036 0.000 0.769 422 P CB -0.105 31.623 31.700 0.047 0.000 0.807 423 T N -4.241 110.283 114.554 -0.051 0.000 3.176 423 T HA 0.539 4.889 4.350 -0.000 0.000 0.263 423 T C 0.681 175.266 174.700 -0.193 0.000 1.021 423 T CA -0.578 61.467 62.100 -0.091 0.000 0.905 423 T CB -0.488 68.335 68.868 -0.074 0.000 1.057 423 T HN 0.012 nan 8.240 nan 0.000 0.558 424 A N 1.211 123.875 122.820 -0.260 0.000 2.488 424 A HA 0.721 5.041 4.320 -0.000 0.000 0.249 424 A C 0.638 177.679 177.584 -0.904 0.000 1.083 424 A CA -0.302 51.400 52.037 -0.559 0.000 0.768 424 A CB -0.238 18.421 19.000 -0.569 0.000 1.017 424 A HN 0.876 nan 8.150 nan 0.000 0.496 425 A N 1.745 123.982 122.820 -0.972 0.000 2.337 425 A HA 0.647 4.967 4.320 -0.000 0.000 0.331 425 A C -0.463 176.532 177.584 -0.982 0.000 1.137 425 A CA -0.680 50.836 52.037 -0.868 0.000 0.807 425 A CB 0.588 19.355 19.000 -0.388 0.000 1.250 425 A HN 0.984 nan 8.150 nan 0.000 0.468 426 W N 1.145 122.445 121.300 -0.001 0.000 2.862 426 W HA 0.201 4.861 4.660 0.000 0.000 0.426 426 W C 0.711 177.232 176.519 0.003 0.000 0.950 426 W CA -0.365 56.985 57.345 0.007 0.000 2.150 426 W CB 0.000 29.472 29.460 0.020 0.000 1.161 426 W HN 0.829 nan 8.180 nan 0.000 0.696 427 N N 1.505 120.247 118.700 0.069 0.000 2.104 427 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 427 N C 0.142 175.689 175.510 0.061 0.000 1.024 427 N CA 1.168 54.245 53.050 0.046 0.000 0.853 427 N CB -0.064 38.420 38.487 -0.005 0.000 1.008 427 N HN 0.234 nan 8.380 nan 0.000 0.424 428 E N 1.280 121.522 120.200 0.071 0.000 2.167 428 E HA 0.211 4.561 4.350 -0.000 0.000 0.284 428 E C -2.326 174.378 176.600 0.173 0.000 1.016 428 E CA -1.996 54.455 56.400 0.086 0.000 0.817 428 E CB 0.914 30.648 29.700 0.056 0.000 1.080 428 E HN 0.189 nan 8.360 nan 0.000 0.397 429 P HA -0.036 nan 4.420 nan 0.000 0.268 429 P C -1.048 176.347 177.300 0.158 0.000 1.205 429 P CA 0.097 63.267 63.100 0.116 0.000 0.771 429 P CB 0.352 32.053 31.700 0.002 0.000 0.858 430 F N 2.025 121.956 119.950 -0.030 0.000 2.493 430 F HA 0.500 5.027 4.527 0.000 0.000 0.329 430 F C -0.365 175.227 175.800 -0.346 0.000 1.126 430 F CA -0.490 57.449 58.000 -0.101 0.000 0.937 430 F CB 1.864 40.891 39.000 0.045 0.000 1.146 430 F HN 0.273 nan 8.300 nan 0.000 0.442 431 S N 6.026 120.964 115.700 -1.270 0.000 2.513 431 S HA 0.364 4.834 4.470 -0.000 0.000 0.299 431 S C 0.548 174.203 174.600 -1.575 0.000 1.087 431 S CA -0.759 56.522 58.200 -1.532 0.000 1.012 431 S CB 1.387 63.973 63.200 -1.022 0.000 1.044 431 S HN 0.849 nan 8.310 nan 0.000 0.485 432 L N 4.873 125.557 121.223 -0.899 0.000 2.089 432 L HA -0.057 4.283 4.340 -0.000 0.000 0.213 432 L C 1.934 178.539 176.870 -0.442 0.000 1.079 432 L CA 1.793 56.384 54.840 -0.414 0.000 0.758 432 L CB -1.182 40.837 42.059 -0.066 0.000 0.891 432 L HN 0.871 nan 8.230 nan 0.000 0.433 433 L N -0.845 120.044 121.223 -0.557 0.000 2.187 433 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 433 L C 2.022 178.670 176.870 -0.371 0.000 1.100 433 L CA 1.197 55.697 54.840 -0.567 0.000 0.765 433 L CB -0.855 40.793 42.059 -0.686 0.000 0.904 433 L HN 0.293 nan 8.230 nan 0.000 0.437 434 D N -0.269 119.895 120.400 -0.393 0.000 2.219 434 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 434 D C 2.159 178.400 176.300 -0.099 0.000 0.970 434 D CA 1.545 55.403 54.000 -0.237 0.000 0.851 434 D CB -0.038 40.611 40.800 -0.252 0.000 0.943 434 D HN 0.412 nan 8.370 nan 0.000 0.488 435 V N -1.680 118.188 119.914 -0.076 0.000 2.685 435 V HA 0.045 4.165 4.120 -0.000 0.000 0.244 435 V C 2.211 178.291 176.094 -0.022 0.000 1.054 435 V CA 0.429 62.733 62.300 0.007 0.000 1.076 435 V CB -0.649 31.227 31.823 0.089 0.000 0.725 435 V HN 0.040 nan 8.190 nan 0.000 0.467 436 L N 1.160 122.334 121.223 -0.082 0.000 2.156 436 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 436 L C 1.535 178.415 176.870 0.016 0.000 1.095 436 L CA 1.475 56.282 54.840 -0.055 0.000 0.770 436 L CB -0.243 41.728 42.059 -0.146 0.000 0.914 436 L HN 0.439 nan 8.230 nan 0.000 0.439 437 S N -0.288 115.416 115.700 0.008 0.000 2.449 437 S HA 0.363 4.833 4.470 -0.000 0.000 0.310 437 S C -1.718 172.959 174.600 0.128 0.000 1.096 437 S CA -1.535 56.723 58.200 0.097 0.000 1.095 437 S CB 1.513 64.787 63.200 0.123 0.000 1.007 437 S HN -0.096 nan 8.310 nan 0.000 0.474 438 P HA 0.129 nan 4.420 nan 0.000 0.235 438 P C 1.240 178.596 177.300 0.094 0.000 1.177 438 P CA 0.358 63.547 63.100 0.149 0.000 0.785 438 P CB -0.122 31.684 31.700 0.177 0.000 0.885 439 c N 0.597 119.247 118.600 0.083 0.000 2.446 439 c HA 0.070 4.639 4.570 -0.000 0.000 0.277 439 c C 3.032 177.152 174.090 0.049 0.000 1.275 439 c CA 1.395 57.760 56.329 0.060 0.000 1.727 439 c CB -1.696 40.845 42.510 0.051 0.000 2.010 439 c HN 0.252 nan 8.230 nan 0.000 0.486 440 A N 0.290 123.140 122.820 0.050 0.000 2.206 440 A HA 0.116 4.436 4.320 -0.000 0.000 0.211 440 A C 1.633 179.252 177.584 0.059 0.000 1.158 440 A CA 1.427 53.493 52.037 0.049 0.000 0.761 440 A CB -0.365 18.660 19.000 0.042 0.000 0.801 440 A HN 0.715 nan 8.150 nan 0.000 0.473 441 V N -1.453 118.499 119.914 0.063 0.000 3.099 441 V HA 0.380 4.500 4.120 -0.000 0.000 0.356 441 V C 0.320 176.424 176.094 0.017 0.000 1.364 441 V CA 0.314 62.637 62.300 0.039 0.000 1.229 441 V CB -1.271 30.567 31.823 0.026 0.000 1.227 441 V HN 0.494 nan 8.190 nan 0.000 0.493 442 S N -0.050 115.666 115.700 0.026 0.000 2.751 442 S HA 0.706 5.176 4.470 -0.000 0.000 0.310 442 S C 0.092 174.707 174.600 0.025 0.000 1.128 442 S CA -0.802 57.411 58.200 0.021 0.000 0.931 442 S CB 1.897 65.115 63.200 0.030 0.000 1.177 442 S HN 0.197 nan 8.310 nan 0.000 0.530 443 L N 0.266 121.506 121.223 0.027 0.000 2.700 443 L HA 0.393 4.733 4.340 -0.000 0.000 0.234 443 L C 1.283 178.180 176.870 0.045 0.000 1.156 443 L CA -0.113 54.749 54.840 0.037 0.000 0.946 443 L CB -0.158 41.926 42.059 0.043 0.000 1.216 443 L HN 0.610 nan 8.230 nan 0.000 0.493 444 R N 1.299 121.821 120.500 0.037 0.000 2.309 444 R HA 0.065 4.405 4.340 -0.000 0.000 0.331 444 R C 1.317 177.634 176.300 0.028 0.000 1.116 444 R CA -0.007 56.111 56.100 0.029 0.000 0.970 444 R CB 0.361 30.672 30.300 0.018 0.000 1.024 444 R HN 0.212 nan 8.270 nan 0.000 0.472 445 R N 2.403 122.922 120.500 0.031 0.000 2.062 445 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 445 R C -0.167 176.146 176.300 0.022 0.000 1.125 445 R CA 1.019 57.136 56.100 0.029 0.000 0.966 445 R CB 0.142 30.462 30.300 0.033 0.000 0.861 445 R HN 0.560 nan 8.270 nan 0.000 0.433 446 D N -0.173 120.237 120.400 0.018 0.000 2.313 446 D HA 0.319 4.959 4.640 -0.000 0.000 0.247 446 D C -0.747 175.556 176.300 0.005 0.000 1.094 446 D CA -0.035 53.971 54.000 0.010 0.000 0.925 446 D CB 1.218 42.022 40.800 0.006 0.000 1.188 446 D HN 0.021 nan 8.370 nan 0.000 0.430 452 T N 0.487 115.048 114.554 0.011 0.000 3.258 452 T HA 0.493 4.843 4.350 -0.000 0.000 0.263 452 T C -0.189 174.520 174.700 0.016 0.000 0.983 452 T CA 0.828 62.937 62.100 0.015 0.000 0.907 452 T CB -1.491 67.387 68.868 0.016 0.000 1.096 452 T HN 1.277 nan 8.240 nan 0.000 0.556 453 L N -1.901 119.331 121.223 0.015 0.000 3.088 453 L HA 0.686 5.026 4.340 -0.000 0.000 0.337 453 L C 1.274 178.154 176.870 0.017 0.000 1.293 453 L CA -0.741 54.108 54.840 0.015 0.000 0.784 453 L CB -0.500 41.567 42.059 0.013 0.000 1.215 453 L HN -0.042 nan 8.230 nan 0.000 0.581 454 A N 0.059 122.889 122.820 0.018 0.000 2.121 454 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 454 A C 1.803 179.399 177.584 0.020 0.000 1.154 454 A CA 1.372 53.420 52.037 0.019 0.000 0.679 454 A CB -0.412 18.599 19.000 0.018 0.000 0.795 454 A HN 0.603 nan 8.150 nan 0.000 0.458 455 N N 0.260 118.972 118.700 0.020 0.000 2.381 455 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 455 N C 1.510 177.032 175.510 0.020 0.000 1.025 455 N CA 0.827 53.889 53.050 0.020 0.000 0.888 455 N CB -0.383 38.116 38.487 0.020 0.000 0.965 455 N HN 0.536 nan 8.380 nan 0.000 0.438 456 L N 0.176 121.411 121.223 0.019 0.000 2.017 456 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 456 L C 2.476 179.362 176.870 0.026 0.000 1.073 456 L CA 1.378 56.229 54.840 0.019 0.000 0.745 456 L CB -1.048 41.021 42.059 0.018 0.000 0.894 456 L HN 0.186 nan 8.230 nan 0.000 0.432 457 G N -0.103 108.714 108.800 0.029 0.000 2.491 457 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 457 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 457 G C 1.752 176.675 174.900 0.039 0.000 1.180 457 G CA 1.039 46.160 45.100 0.034 0.000 0.774 457 G HN 0.485 nan 8.290 nan 0.000 0.562 458 A N 1.004 123.845 122.820 0.034 0.000 1.902 458 A HA 0.263 4.583 4.320 -0.000 0.000 0.217 458 A C 2.834 180.444 177.584 0.044 0.000 1.181 458 A CA 2.375 54.434 52.037 0.036 0.000 0.623 458 A CB -0.802 18.215 19.000 0.029 0.000 0.818 458 A HN 0.878 nan 8.150 nan 0.000 0.443 459 A N -0.092 122.752 122.820 0.039 0.000 1.877 459 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 459 A C 2.524 180.146 177.584 0.063 0.000 1.186 459 A CA 2.160 54.221 52.037 0.041 0.000 0.620 459 A CB -1.075 17.937 19.000 0.020 0.000 0.822 459 A HN 1.078 nan 8.150 nan 0.000 0.443 460 A N -0.310 122.551 122.820 0.068 0.000 1.933 460 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 460 A C 2.236 179.915 177.584 0.158 0.000 1.175 460 A CA 1.589 53.704 52.037 0.130 0.000 0.628 460 A CB -0.442 18.629 19.000 0.118 0.000 0.814 460 A HN 0.554 nan 8.150 nan 0.000 0.444 461 R N -1.142 119.418 120.500 0.099 0.000 2.092 461 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 461 R C 2.127 178.486 176.300 0.099 0.000 1.119 461 R CA 1.317 57.466 56.100 0.081 0.000 0.970 461 R CB -0.481 29.851 30.300 0.053 0.000 0.864 461 R HN 0.533 nan 8.270 nan 0.000 0.440 462 L N 0.651 121.937 121.223 0.104 0.000 2.027 462 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 462 L C 2.235 179.220 176.870 0.191 0.000 1.074 462 L CA 2.010 56.920 54.840 0.116 0.000 0.745 462 L CB -0.652 41.460 42.059 0.088 0.000 0.898 462 L HN 0.099 nan 8.230 nan 0.000 0.433 463 A N -0.328 122.632 122.820 0.233 0.000 1.978 463 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 463 A C 2.272 180.207 177.584 0.586 0.000 1.170 463 A CA 2.051 54.314 52.037 0.376 0.000 0.636 463 A CB -1.049 18.104 19.000 0.255 0.000 0.810 463 A HN 0.559 nan 8.150 nan 0.000 0.448 464 L N -0.623 120.820 121.223 0.367 0.000 2.191 464 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 464 L C 1.727 178.793 176.870 0.327 0.000 1.103 464 L CA 0.237 55.199 54.840 0.204 0.000 0.769 464 L CB -0.660 41.400 42.059 0.002 0.000 0.908 464 L HN 0.422 nan 8.230 nan 0.000 0.438 465 A N 1.181 124.159 122.820 0.263 0.000 2.511 465 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 465 A C -2.027 175.574 177.584 0.028 0.000 1.069 465 A CA -1.007 51.111 52.037 0.135 0.000 0.763 465 A CB -0.542 18.504 19.000 0.076 0.000 1.001 465 A HN -0.001 nan 8.150 nan 0.000 0.498 466 P HA 0.228 nan 4.420 nan 0.000 0.272 466 P C 0.096 176.986 177.300 -0.683 0.000 1.230 466 P CA 0.192 62.921 63.100 -0.618 0.000 0.788 466 P CB 1.135 32.653 31.700 -0.303 0.000 0.949 467 A N 1.500 123.695 122.820 -1.042 0.000 2.423 467 A HA 0.395 4.714 4.320 -0.000 0.000 0.246 467 A C 1.184 178.555 177.584 -0.354 0.000 1.278 467 A CA 0.081 51.699 52.037 -0.697 0.000 0.903 467 A CB -0.829 17.605 19.000 -0.943 0.000 0.997 467 A HN 0.629 nan 8.150 nan 0.000 0.510 484 E N 0.911 121.114 120.200 0.006 0.000 2.376 484 E HA 0.029 4.379 4.350 -0.000 0.000 0.266 484 E C 0.242 176.849 176.600 0.012 0.000 1.009 484 E CA 0.502 56.907 56.400 0.008 0.000 0.902 484 E CB 0.943 30.648 29.700 0.008 0.000 0.972 484 E HN 0.534 nan 8.360 nan 0.000 0.439 485 E N 2.578 122.787 120.200 0.015 0.000 2.110 485 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 485 E C -0.021 176.595 176.600 0.026 0.000 0.988 485 E CA 0.951 57.363 56.400 0.020 0.000 0.804 485 E CB 0.106 29.819 29.700 0.021 0.000 0.745 485 E HN 0.517 nan 8.360 nan 0.000 0.458 486 D N 0.413 120.827 120.400 0.024 0.000 2.342 486 D HA -0.009 4.631 4.640 -0.000 0.000 0.260 486 D C -1.845 174.467 176.300 0.020 0.000 1.278 486 D CA -2.019 51.997 54.000 0.026 0.000 0.910 486 D CB 1.138 41.952 40.800 0.023 0.000 1.079 486 D HN -0.084 nan 8.370 nan 0.000 0.496 487 P HA -0.077 nan 4.420 nan 0.000 0.225 487 P C 1.557 178.860 177.300 0.004 0.000 1.156 487 P CA 0.176 63.283 63.100 0.011 0.000 0.787 487 P CB 0.433 32.139 31.700 0.010 0.000 0.802 488 V N 0.749 120.667 119.914 0.006 0.000 2.307 488 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 488 V C 2.641 178.739 176.094 0.006 0.000 1.045 488 V CA 2.255 64.558 62.300 0.004 0.000 1.024 488 V CB -1.745 30.084 31.823 0.009 0.000 0.651 488 V HN 0.098 nan 8.190 nan 0.000 0.449 489 A N -0.022 122.804 122.820 0.010 0.000 1.902 489 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 489 A C 2.393 179.980 177.584 0.005 0.000 1.181 489 A CA 2.054 54.096 52.037 0.009 0.000 0.623 489 A CB -0.589 18.418 19.000 0.011 0.000 0.818 489 A HN 0.475 nan 8.150 nan 0.000 0.443 490 R N -0.433 120.070 120.500 0.005 0.000 2.091 490 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 490 R C 2.235 178.535 176.300 -0.001 0.000 1.136 490 R CA 1.463 57.564 56.100 0.003 0.000 0.959 490 R CB -0.364 29.938 30.300 0.004 0.000 0.856 490 R HN 0.461 nan 8.270 nan 0.000 0.437 491 A N -0.162 122.656 122.820 -0.002 0.000 1.969 491 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 491 A C 1.052 178.632 177.584 -0.005 0.000 1.169 491 A CA 1.348 53.382 52.037 -0.005 0.000 0.635 491 A CB 0.029 19.024 19.000 -0.008 0.000 0.810 491 A HN 0.393 nan 8.150 nan 0.000 0.445 492 A N -0.902 121.916 122.820 -0.003 0.000 3.127 492 A HA 0.602 4.922 4.320 -0.000 0.000 0.319 492 A C -2.062 175.520 177.584 -0.003 0.000 1.104 492 A CA -0.845 51.190 52.037 -0.003 0.000 0.802 492 A CB 0.481 19.481 19.000 -0.001 0.000 1.193 492 A HN 0.094 nan 8.150 nan 0.000 0.479 493 P HA -0.142 nan 4.420 nan 0.000 0.226 493 P C 1.352 178.648 177.300 -0.007 0.000 1.153 493 P CA 1.119 64.217 63.100 -0.004 0.000 0.777 493 P CB 0.296 31.993 31.700 -0.005 0.000 0.794 494 E N 0.457 120.650 120.200 -0.011 0.000 2.409 494 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 494 E C 0.523 177.115 176.600 -0.013 0.000 1.024 494 E CA 0.369 56.759 56.400 -0.017 0.000 0.861 494 E CB -0.804 28.880 29.700 -0.026 0.000 0.788 494 E HN 0.293 nan 8.360 nan 0.000 0.521 495 I N 4.420 124.987 120.570 -0.004 0.000 2.436 495 I HA 0.102 4.272 4.170 -0.000 0.000 0.289 495 I C -1.782 174.339 176.117 0.006 0.000 1.083 495 I CA -1.795 59.507 61.300 0.005 0.000 1.372 495 I CB 0.480 38.489 38.000 0.015 0.000 1.408 495 I HN -0.018 nan 8.210 nan 0.000 0.516 496 P HA 0.220 nan 4.420 nan 0.000 0.276 496 P C 0.329 177.637 177.300 0.013 0.000 1.261 496 P CA -0.535 62.568 63.100 0.006 0.000 0.800 496 P CB 0.993 32.693 31.700 0.000 0.000 1.066 497 A N 0.825 123.651 122.820 0.011 0.000 1.969 497 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 497 A C 1.771 179.365 177.584 0.018 0.000 1.169 497 A CA 1.643 53.689 52.037 0.015 0.000 0.635 497 A CB -1.144 17.863 19.000 0.011 0.000 0.810 497 A HN 0.764 nan 8.150 nan 0.000 0.445 498 E N 0.112 120.322 120.200 0.017 0.000 2.511 498 E HA 0.344 4.694 4.350 -0.000 0.000 0.196 498 E C 0.640 177.260 176.600 0.033 0.000 1.066 498 E CA 0.251 56.664 56.400 0.021 0.000 0.871 498 E CB -0.270 29.439 29.700 0.014 0.000 0.863 498 E HN 0.428 nan 8.360 nan 0.000 0.520 499 A N 1.415 124.258 122.820 0.038 0.000 2.484 499 A HA 0.185 4.505 4.320 -0.000 0.000 0.268 499 A C 0.917 178.542 177.584 0.068 0.000 1.114 499 A CA -0.318 51.755 52.037 0.060 0.000 0.780 499 A CB 0.077 19.112 19.000 0.058 0.000 1.061 499 A HN 0.384 nan 8.150 nan 0.000 0.505 500 L N 2.116 123.392 121.223 0.088 0.000 2.056 500 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 500 L C 0.689 177.603 176.870 0.074 0.000 1.078 500 L CA 1.042 55.923 54.840 0.069 0.000 0.749 500 L CB -0.323 41.773 42.059 0.061 0.000 0.901 500 L HN 0.669 nan 8.230 nan 0.000 0.433 501 L N -0.976 120.331 121.223 0.140 0.000 2.505 501 L HA 0.734 5.074 4.340 -0.000 0.000 0.259 501 L C -1.548 175.466 176.870 0.239 0.000 0.952 501 L CA -0.428 54.505 54.840 0.156 0.000 0.840 501 L CB 1.964 44.082 42.059 0.099 0.000 1.358 501 L HN -0.145 nan 8.230 nan 0.000 0.409 502 A N 4.558 127.479 122.820 0.169 0.000 2.401 502 A HA 0.874 5.194 4.320 -0.000 0.000 0.310 502 A C -1.703 175.967 177.584 0.145 0.000 1.075 502 A CA -0.491 51.638 52.037 0.152 0.000 0.746 502 A CB 1.688 20.742 19.000 0.090 0.000 1.277 502 A HN 0.625 nan 8.150 nan 0.000 0.425 503 L N 3.218 124.539 121.223 0.164 0.000 2.401 503 L HA 0.373 4.713 4.340 -0.000 0.000 0.263 503 L C -2.379 174.574 176.870 0.137 0.000 1.004 503 L CA -1.818 53.115 54.840 0.156 0.000 0.881 503 L CB 2.101 44.281 42.059 0.201 0.000 1.219 503 L HN 0.482 nan 8.230 nan 0.000 0.441 504 P HA 0.130 nan 4.420 nan 0.000 0.268 504 P C -0.667 176.656 177.300 0.039 0.000 1.204 504 P CA 0.132 63.255 63.100 0.038 0.000 0.768 504 P CB 1.149 32.858 31.700 0.015 0.000 0.842 505 L N 3.154 124.380 121.223 0.005 0.000 2.331 505 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 505 L C 1.303 178.164 176.870 -0.015 0.000 1.015 505 L CA -1.330 53.506 54.840 -0.007 0.000 0.807 505 L CB 0.965 42.976 42.059 -0.080 0.000 1.293 505 L HN 0.242 nan 8.230 nan 0.000 0.451 506 R N 0.226 120.720 120.500 -0.009 0.000 2.543 506 R HA 0.344 4.684 4.340 -0.000 0.000 0.277 506 R C 0.580 176.866 176.300 -0.024 0.000 1.074 506 R CA 0.660 56.753 56.100 -0.011 0.000 1.076 506 R CB 0.351 30.651 30.300 -0.000 0.000 0.993 506 R HN 0.914 nan 8.270 nan 0.000 0.459 507 G N 0.935 109.722 108.800 -0.021 0.000 2.165 507 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.226 507 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.226 507 G C 0.683 175.564 174.900 -0.031 0.000 1.035 507 G CA 0.211 45.297 45.100 -0.025 0.000 0.744 507 G HN 1.141 nan 8.290 nan 0.000 0.501 508 G N -1.868 106.915 108.800 -0.028 0.000 2.179 508 G HA2 0.215 4.175 3.960 -0.000 0.000 0.257 508 G HA3 0.215 4.175 3.960 -0.000 0.000 0.257 508 G C 0.719 175.595 174.900 -0.041 0.000 1.010 508 G CA 1.288 46.371 45.100 -0.029 0.000 0.736 508 G HN 2.339 nan 8.290 nan 0.000 0.513 509 A N -0.846 121.941 122.820 -0.055 0.000 2.313 509 A HA 1.041 5.361 4.320 -0.000 0.000 0.323 509 A C 0.330 177.863 177.584 -0.086 0.000 1.133 509 A CA 0.450 52.436 52.037 -0.085 0.000 0.847 509 A CB 1.725 20.654 19.000 -0.120 0.000 1.308 509 A HN 2.046 nan 8.150 nan 0.000 0.475 510 S N -0.724 114.907 115.700 -0.115 0.000 2.537 510 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 510 S C -1.053 173.467 174.600 -0.133 0.000 1.148 510 S CA -0.622 57.529 58.200 -0.082 0.000 0.868 510 S CB 0.412 63.606 63.200 -0.010 0.000 1.115 510 S HN 0.485 nan 8.310 nan 0.000 0.461 511 F N 1.253 121.175 119.950 -0.047 0.000 2.484 511 F HA 0.541 5.068 4.527 -0.000 0.000 0.360 511 F C 0.324 176.045 175.800 -0.131 0.000 1.101 511 F CA -0.014 57.918 58.000 -0.113 0.000 1.251 511 F CB 1.058 39.977 39.000 -0.135 0.000 1.132 511 F HN 0.451 nan 8.300 nan 0.000 0.570 512 V N 4.873 124.782 119.914 -0.008 0.000 2.623 512 V HA 0.333 4.453 4.120 -0.000 0.000 0.304 512 V C -0.823 175.176 176.094 -0.159 0.000 1.054 512 V CA -0.976 61.306 62.300 -0.030 0.000 0.882 512 V CB 1.636 33.458 31.823 -0.002 0.000 1.002 512 V HN 0.411 nan 8.190 nan 0.000 0.424 513 F N 3.366 123.340 119.950 0.039 0.000 2.410 513 F HA 0.709 5.236 4.527 -0.000 0.000 0.349 513 F C 0.805 176.605 175.800 -0.001 0.000 1.117 513 F CA -0.198 57.803 58.000 0.002 0.000 1.104 513 F CB 2.001 40.985 39.000 -0.027 0.000 1.122 513 F HN 0.567 nan 8.300 nan 0.000 0.483 514 T N 0.104 114.750 114.554 0.153 0.000 2.883 514 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 514 T C 0.798 175.539 174.700 0.068 0.000 1.117 514 T CA -1.083 61.068 62.100 0.086 0.000 1.006 514 T CB 2.186 71.079 68.868 0.042 0.000 1.191 514 T HN 0.384 nan 8.240 nan 0.000 0.508 515 R N 0.115 120.640 120.500 0.043 0.000 2.075 515 R HA 0.196 4.536 4.340 -0.000 0.000 0.226 515 R C 0.706 177.018 176.300 0.020 0.000 1.114 515 R CA 0.762 56.879 56.100 0.029 0.000 0.972 515 R CB -0.219 30.094 30.300 0.021 0.000 0.869 515 R HN 0.562 nan 8.270 nan 0.000 0.437 516 R N 1.827 122.336 120.500 0.015 0.000 2.474 516 R HA 0.228 4.567 4.340 -0.000 0.000 0.295 516 R C -0.246 176.054 176.300 -0.001 0.000 0.980 516 R CA -0.647 55.457 56.100 0.006 0.000 0.934 516 R CB 1.510 31.811 30.300 0.001 0.000 1.101 516 R HN 0.167 nan 8.270 nan 0.000 0.469 517 R N 2.474 122.969 120.500 -0.009 0.000 2.537 517 R HA 0.183 4.523 4.340 -0.000 0.000 0.280 517 R C -2.058 174.221 176.300 -0.035 0.000 1.058 517 R CA -1.180 54.907 56.100 -0.022 0.000 1.057 517 R CB -0.265 30.018 30.300 -0.027 0.000 0.973 517 R HN 0.296 nan 8.270 nan 0.000 0.438 518 P HA 0.079 nan 4.420 nan 0.000 0.272 518 P C -0.989 176.263 177.300 -0.081 0.000 1.223 518 P CA -0.228 62.838 63.100 -0.056 0.000 0.784 518 P CB 0.617 32.282 31.700 -0.058 0.000 0.923 519 D N 0.763 121.113 120.400 -0.083 0.000 2.304 519 D HA 0.089 4.729 4.640 -0.000 0.000 0.250 519 D C 0.413 176.628 176.300 -0.142 0.000 1.107 519 D CA -0.112 53.820 54.000 -0.114 0.000 0.885 519 D CB -0.104 40.644 40.800 -0.087 0.000 1.192 519 D HN 0.393 nan 8.370 nan 0.000 0.436 520 c N 2.539 121.005 118.600 -0.224 0.000 4.365 520 c HA -0.026 4.544 4.570 -0.000 0.000 0.299 520 c C 0.822 174.811 174.090 -0.167 0.000 1.409 520 c CA 0.893 57.075 56.329 -0.245 0.000 2.007 520 c CB -1.851 40.549 42.510 -0.183 0.000 1.264 520 c HN 0.722 nan 8.230 nan 0.000 0.777 521 G N -0.246 108.460 108.800 -0.157 0.000 2.667 521 G HA2 0.669 4.629 3.960 -0.000 0.000 0.298 521 G HA3 0.669 4.629 3.960 -0.000 0.000 0.298 521 G C -3.010 171.815 174.900 -0.124 0.000 1.377 521 G CA -0.805 44.223 45.100 -0.119 0.000 0.964 521 G HN 0.062 nan 8.290 nan 0.000 0.493 522 P HA 0.450 nan 4.420 nan 0.000 0.271 522 P C -0.340 176.864 177.300 -0.160 0.000 1.226 522 P CA 0.152 63.164 63.100 -0.148 0.000 0.765 522 P CB 1.366 32.989 31.700 -0.128 0.000 0.835 523 A N 3.519 126.207 122.820 -0.220 0.000 2.515 523 A HA 0.672 4.992 4.320 -0.000 0.000 0.298 523 A C -1.722 175.699 177.584 -0.272 0.000 1.059 523 A CA -0.552 51.385 52.037 -0.167 0.000 0.698 523 A CB 1.058 20.003 19.000 -0.091 0.000 1.289 523 A HN 0.392 nan 8.150 nan 0.000 0.404 524 Y N 0.435 120.720 120.300 -0.025 0.000 2.331 524 Y HA 0.522 5.072 4.550 -0.000 0.000 0.338 524 Y C 1.023 176.905 175.900 -0.030 0.000 0.992 524 Y CA -0.131 57.958 58.100 -0.019 0.000 1.121 524 Y CB 2.205 40.657 38.460 -0.014 0.000 1.184 524 Y HN 0.614 nan 8.280 nan 0.000 0.469 525 T N 4.835 119.458 114.554 0.115 0.000 2.780 525 T HA 0.352 4.702 4.350 -0.000 0.000 0.294 525 T C -0.517 174.223 174.700 0.067 0.000 0.949 525 T CA -0.521 61.618 62.100 0.065 0.000 1.074 525 T CB -0.103 68.789 68.868 0.040 0.000 0.910 525 T HN 0.353 nan 8.240 nan 0.000 0.501 526 L N 5.390 126.618 121.223 0.009 0.000 2.331 526 L HA 0.522 4.862 4.340 -0.000 0.000 0.278 526 L C 1.180 178.077 176.870 0.045 0.000 1.106 526 L CA 0.276 55.090 54.840 -0.043 0.000 0.824 526 L CB 0.866 42.733 42.059 -0.320 0.000 1.142 526 L HN 0.822 nan 8.230 nan 0.000 0.443 527 G N 1.476 110.350 108.800 0.124 0.000 2.467 527 G HA2 0.442 4.402 3.960 -0.000 0.000 0.257 527 G HA3 0.442 4.402 3.960 -0.000 0.000 0.257 527 G C 0.611 175.631 174.900 0.199 0.000 1.227 527 G CA 0.066 45.250 45.100 0.141 0.000 0.835 527 G HN 1.129 nan 8.290 nan 0.000 0.556 528 G N -0.862 108.014 108.800 0.127 0.000 2.272 528 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.280 528 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.280 528 G C -0.094 174.882 174.900 0.127 0.000 1.067 528 G CA 0.228 45.390 45.100 0.103 0.000 0.902 528 G HN 1.262 nan 8.290 nan 0.000 0.500 529 V N 0.288 120.273 119.914 0.118 0.000 2.656 529 V HA 0.389 4.509 4.120 -0.000 0.000 0.307 529 V C 0.079 176.208 176.094 0.060 0.000 1.051 529 V CA -1.331 61.032 62.300 0.105 0.000 0.893 529 V CB 1.886 33.771 31.823 0.104 0.000 0.999 529 V HN 0.299 nan 8.190 nan 0.000 0.426 530 D N 2.819 123.247 120.400 0.046 0.000 2.583 530 D HA 0.008 4.648 4.640 -0.000 0.000 0.232 530 D C 1.038 177.355 176.300 0.027 0.000 1.128 530 D CA 0.399 54.418 54.000 0.031 0.000 0.859 530 D CB 1.106 41.921 40.800 0.024 0.000 1.169 530 D HN 0.354 nan 8.370 nan 0.000 0.481 531 I N 2.283 122.867 120.570 0.023 0.000 2.454 531 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 531 I C 2.324 178.450 176.117 0.017 0.000 1.156 531 I CA 1.185 62.497 61.300 0.020 0.000 1.433 531 I CB -0.058 37.953 38.000 0.018 0.000 1.082 531 I HN 0.496 nan 8.210 nan 0.000 0.432 532 A N -0.606 122.223 122.820 0.015 0.000 2.123 532 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 532 A C 1.278 178.869 177.584 0.012 0.000 1.152 532 A CA 0.749 52.793 52.037 0.012 0.000 0.728 532 A CB -0.345 18.662 19.000 0.011 0.000 0.814 532 A HN 0.388 nan 8.150 nan 0.000 0.464 533 N N 0.235 118.944 118.700 0.014 0.000 2.813 533 N HA 0.301 5.041 4.740 -0.000 0.000 0.282 533 N C -3.104 172.415 175.510 0.015 0.000 1.748 533 N CA -1.824 51.234 53.050 0.013 0.000 0.860 533 N CB 1.312 39.805 38.487 0.011 0.000 1.204 533 N HN 0.128 nan 8.380 nan 0.000 0.490 534 P HA 0.243 nan 4.420 nan 0.000 0.276 534 P C -0.758 176.549 177.300 0.011 0.000 1.252 534 P CA -0.334 62.775 63.100 0.015 0.000 0.802 534 P CB 1.437 33.146 31.700 0.016 0.000 1.035 535 L N 0.722 121.945 121.223 -0.001 0.000 2.343 535 L HA 0.405 4.745 4.340 -0.000 0.000 0.278 535 L C -0.565 176.319 176.870 0.023 0.000 0.996 535 L CA -0.962 53.882 54.840 0.006 0.000 0.831 535 L CB 1.961 43.972 42.059 -0.080 0.000 1.232 535 L HN 0.035 nan 8.230 nan 0.000 0.413 536 V N 4.745 124.693 119.914 0.056 0.000 2.398 536 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 536 V C -0.115 175.989 176.094 0.016 0.000 1.026 536 V CA -0.471 61.850 62.300 0.036 0.000 0.868 536 V CB 2.228 34.061 31.823 0.017 0.000 0.982 536 V HN 0.529 nan 8.190 nan 0.000 0.443 537 L N 4.990 126.189 121.223 -0.042 0.000 2.287 537 L HA 0.867 5.207 4.340 -0.000 0.000 0.287 537 L C 0.053 176.909 176.870 -0.023 0.000 1.022 537 L CA -0.149 54.550 54.840 -0.235 0.000 0.814 537 L CB 1.168 43.032 42.059 -0.325 0.000 1.217 537 L HN 0.800 nan 8.230 nan 0.000 0.420 538 A N 5.603 128.393 122.820 -0.051 0.000 2.423 538 A HA 0.772 5.092 4.320 -0.000 0.000 0.304 538 A C -0.972 176.614 177.584 0.003 0.000 1.104 538 A CA -0.673 51.366 52.037 0.003 0.000 0.757 538 A CB 1.391 20.368 19.000 -0.039 0.000 1.313 538 A HN 0.668 nan 8.150 nan 0.000 0.423 539 I N 1.119 121.657 120.570 -0.054 0.000 2.336 539 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 539 I C -0.703 175.335 176.117 -0.132 0.000 0.991 539 I CA -0.683 60.506 61.300 -0.185 0.000 1.227 539 I CB 1.777 39.604 38.000 -0.288 0.000 1.366 539 I HN 0.234 nan 8.210 nan 0.000 0.466 540 V N 5.500 125.339 119.914 -0.125 0.000 2.304 540 V HA 0.278 4.398 4.120 -0.000 0.000 0.269 540 V C 0.142 176.182 176.094 -0.090 0.000 1.036 540 V CA -0.365 61.883 62.300 -0.087 0.000 0.840 540 V CB 0.634 32.422 31.823 -0.058 0.000 1.036 540 V HN 0.849 nan 8.190 nan 0.000 0.466 541 S N 4.332 119.981 115.700 -0.084 0.000 2.530 541 S HA 0.539 5.009 4.470 -0.000 0.000 0.322 541 S C -0.233 174.334 174.600 -0.055 0.000 1.085 541 S CA -0.971 57.185 58.200 -0.074 0.000 1.096 541 S CB 1.064 64.214 63.200 -0.082 0.000 0.988 541 S HN 0.584 nan 8.310 nan 0.000 0.466 548 D N 3.242 123.592 120.400 -0.084 0.000 2.308 548 D HA 0.381 5.021 4.640 -0.000 0.000 0.242 548 D C -0.363 175.874 176.300 -0.105 0.000 1.059 548 D CA -0.154 53.827 54.000 -0.032 0.000 0.830 548 D CB 1.217 41.981 40.800 -0.061 0.000 1.161 548 D HN 0.724 nan 8.370 nan 0.000 0.494 549 Y N 1.512 121.784 120.300 -0.046 0.000 2.467 549 Y HA 0.080 4.630 4.550 -0.000 0.000 0.250 549 Y C 1.396 177.268 175.900 -0.046 0.000 1.155 549 Y CA -0.049 58.027 58.100 -0.041 0.000 1.249 549 Y CB 1.169 39.611 38.460 -0.031 0.000 1.146 549 Y HN 0.271 nan 8.280 nan 0.000 0.524 550 T N 0.643 115.236 114.554 0.065 0.000 2.910 550 T HA 0.037 4.387 4.350 -0.000 0.000 0.293 550 T C -0.544 174.135 174.700 -0.035 0.000 1.015 550 T CA -0.472 61.636 62.100 0.013 0.000 1.094 550 T CB 0.344 69.209 68.868 -0.004 0.000 0.968 550 T HN -0.012 nan 8.240 nan 0.000 0.521 551 D N 3.754 124.140 120.400 -0.024 0.000 2.411 551 D HA 0.221 4.861 4.640 -0.000 0.000 0.225 551 D C -0.054 176.219 176.300 -0.045 0.000 1.156 551 D CA -0.302 53.679 54.000 -0.032 0.000 0.874 551 D CB 0.309 41.106 40.800 -0.004 0.000 1.034 551 D HN 0.356 nan 8.370 nan 0.000 0.502 552 R N 3.149 123.587 120.500 -0.103 0.000 2.540 552 R HA 0.548 4.888 4.340 -0.000 0.000 0.287 552 R C -0.020 176.310 176.300 0.049 0.000 0.980 552 R CA -0.640 55.388 56.100 -0.121 0.000 0.966 552 R CB 1.937 31.945 30.300 -0.488 0.000 1.106 552 R HN 0.427 nan 8.270 nan 0.000 0.480 553 M N 2.354 122.068 119.600 0.190 0.000 2.457 553 M HA 0.366 4.846 4.480 -0.000 0.000 0.300 553 M C -2.363 174.128 176.300 0.318 0.000 1.141 553 M CA -1.976 53.483 55.300 0.265 0.000 0.901 553 M CB 2.898 35.579 32.600 0.135 0.000 1.687 553 M HN 0.198 nan 8.290 nan 0.000 0.449 554 P HA 0.074 nan 4.420 nan 0.000 0.268 554 P C -1.240 176.085 177.300 0.042 0.000 1.204 554 P CA -0.030 63.063 63.100 -0.012 0.000 0.768 554 P CB 0.379 31.994 31.700 -0.141 0.000 0.842 555 E N 1.141 121.363 120.200 0.036 0.000 2.324 555 E HA 0.123 4.473 4.350 -0.000 0.000 0.271 555 E C -0.259 176.354 176.600 0.021 0.000 1.028 555 E CA 0.034 56.457 56.400 0.039 0.000 0.890 555 E CB 0.322 30.046 29.700 0.040 0.000 1.004 555 E HN 0.353 nan 8.360 nan 0.000 0.431 556 S N 3.587 119.296 115.700 0.015 0.000 2.455 556 S HA 0.131 4.601 4.470 -0.000 0.000 0.278 556 S C -0.299 174.287 174.600 -0.024 0.000 1.216 556 S CA -0.206 57.986 58.200 -0.015 0.000 1.055 556 S CB 0.542 63.730 63.200 -0.021 0.000 0.939 556 S HN 0.391 nan 8.310 nan 0.000 0.494 557 Q N 1.457 121.230 119.800 -0.045 0.000 2.377 557 Q HA 0.362 4.702 4.340 -0.000 0.000 0.279 557 Q C -0.977 174.979 176.000 -0.074 0.000 1.049 557 Q CA -0.848 54.949 55.803 -0.011 0.000 0.825 557 Q CB 1.737 30.515 28.738 0.068 0.000 1.401 557 Q HN 0.662 nan 8.270 nan 0.000 0.404 558 H N 0.665 119.786 119.070 0.085 0.000 2.499 558 H HA 0.356 4.912 4.556 -0.000 0.000 0.352 558 H C -0.357 175.042 175.328 0.119 0.000 1.237 558 H CA -0.468 55.630 56.048 0.083 0.000 1.343 558 H CB 0.905 30.703 29.762 0.060 0.000 1.578 558 H HN 0.403 nan 8.280 nan 0.000 0.577 559 L N 1.217 122.589 121.223 0.248 0.000 2.268 559 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 559 L C -2.354 174.634 176.870 0.198 0.000 1.064 559 L CA -1.736 53.227 54.840 0.205 0.000 0.824 559 L CB -0.110 41.968 42.059 0.032 0.000 1.202 559 L HN 0.233 nan 8.230 nan 0.000 0.433 560 P HA 0.529 nan 4.420 nan 0.000 0.292 560 P C -0.337 177.077 177.300 0.189 0.000 1.283 560 P CA -0.327 62.876 63.100 0.171 0.000 0.835 560 P CB 1.773 33.556 31.700 0.138 0.000 1.017 561 A N 2.377 125.271 122.820 0.123 0.000 1.597 561 A HA 0.004 4.324 4.320 -0.000 0.000 0.206 561 A C 0.752 178.416 177.584 0.133 0.000 1.281 561 A CA 0.731 52.832 52.037 0.106 0.000 0.662 561 A CB -2.665 16.388 19.000 0.088 0.000 1.153 561 A HN 1.097 nan 8.150 nan 0.000 0.200 562 T N -0.027 114.581 114.554 0.089 0.000 4.290 562 T HA -0.172 4.178 4.350 -0.000 0.000 0.334 562 T C 0.287 175.011 174.700 0.039 0.000 0.761 562 T CA 2.125 64.255 62.100 0.049 0.000 1.950 562 T CB -1.898 66.995 68.868 0.040 0.000 1.898 562 T HN 2.237 nan 8.240 nan 0.000 0.906 563 D N -0.063 120.362 120.400 0.041 0.000 2.153 563 D HA 0.028 4.668 4.640 -0.000 0.000 0.388 563 D C 0.121 176.438 176.300 0.028 0.000 1.014 563 D CA 0.416 54.435 54.000 0.031 0.000 0.906 563 D CB -1.088 39.733 40.800 0.034 0.000 1.552 563 D HN 0.735 nan 8.370 nan 0.000 0.522 564 N N 1.640 120.360 118.700 0.033 0.000 2.614 564 N HA -0.148 4.592 4.740 -0.000 0.000 0.276 564 N C -2.184 173.341 175.510 0.025 0.000 1.119 564 N CA 0.724 53.791 53.050 0.029 0.000 0.742 564 N CB -1.723 36.777 38.487 0.022 0.000 0.900 564 N HN 0.248 nan 8.380 nan 0.000 0.549 565 P HA 0.161 nan 4.420 nan 0.000 0.248 565 P C -0.019 177.294 177.300 0.021 0.000 1.708 565 P CA 0.385 63.498 63.100 0.022 0.000 1.062 565 P CB 0.069 31.783 31.700 0.023 0.000 1.562 566 S N -2.572 113.141 115.700 0.022 0.000 3.358 566 S HA -0.143 4.327 4.470 -0.000 0.000 0.309 566 S C 0.129 174.744 174.600 0.024 0.000 1.247 566 S CA 0.878 59.090 58.200 0.022 0.000 0.961 566 S CB -2.871 60.339 63.200 0.017 0.000 1.074 566 S HN 0.116 nan 8.310 nan 0.000 0.625 567 V N 1.027 120.958 119.914 0.028 0.000 2.409 567 V HA 0.517 4.637 4.120 -0.000 0.000 0.291 567 V C 0.701 176.819 176.094 0.040 0.000 1.020 567 V CA -0.487 61.831 62.300 0.029 0.000 0.848 567 V CB 1.357 33.195 31.823 0.024 0.000 0.990 567 V HN 0.624 nan 8.190 nan 0.000 0.430 568 C N 6.579 125.905 119.300 0.042 0.000 2.200 568 C HA 0.383 4.843 4.460 -0.000 0.000 0.328 568 C C 1.747 176.768 174.990 0.051 0.000 1.148 568 C CA -0.126 58.928 59.018 0.059 0.000 1.624 568 C CB -0.613 27.162 27.740 0.057 0.000 2.167 568 C HN 0.856 nan 8.230 nan 0.000 0.484 569 V N 3.487 123.429 119.914 0.046 0.000 2.488 569 V HA -0.038 4.081 4.120 -0.000 0.000 0.246 569 V C 1.373 177.394 176.094 -0.122 0.000 1.046 569 V CA 1.362 63.633 62.300 -0.049 0.000 1.053 569 V CB -1.148 30.605 31.823 -0.116 0.000 0.679 569 V HN 0.829 nan 8.190 nan 0.000 0.458 570 Y N -0.153 120.178 120.300 0.051 0.000 2.461 570 Y HA 0.386 4.936 4.550 -0.000 0.000 0.277 570 Y C 1.585 177.471 175.900 -0.023 0.000 1.182 570 Y CA -0.716 57.378 58.100 -0.011 0.000 1.276 570 Y CB -0.417 38.025 38.460 -0.030 0.000 1.087 570 Y HN 0.234 nan 8.280 nan 0.000 0.519 571 C N 1.858 121.221 119.300 0.106 0.000 2.637 571 C HA -0.029 4.431 4.460 -0.000 0.000 0.418 571 C C 0.946 175.968 174.990 0.053 0.000 1.319 571 C CA -0.180 58.881 59.018 0.073 0.000 1.949 571 C CB -0.295 27.481 27.740 0.061 0.000 2.639 571 C HN 0.727 nan 8.230 nan 0.000 0.594 572 D N 0.112 120.540 120.400 0.046 0.000 2.911 572 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 572 D C 0.074 176.393 176.300 0.032 0.000 1.041 572 D CA 0.829 54.852 54.000 0.039 0.000 1.013 572 D CB -1.333 39.495 40.800 0.046 0.000 1.093 572 D HN 0.617 nan 8.370 nan 0.000 0.431 573 C N 0.902 120.202 119.300 0.001 0.000 2.534 573 C HA 0.490 4.950 4.460 -0.000 0.000 0.385 573 C C 0.947 175.926 174.990 -0.020 0.000 1.264 573 C CA -0.611 58.361 59.018 -0.076 0.000 2.342 573 C CB 1.432 29.048 27.740 -0.206 0.000 2.564 573 C HN 0.064 nan 8.230 nan 0.000 0.603 574 V N 3.221 123.108 119.914 -0.046 0.000 2.357 574 V HA 0.260 4.380 4.120 -0.000 0.000 0.284 574 V C -0.306 175.789 176.094 0.002 0.000 1.018 574 V CA -0.329 61.971 62.300 -0.001 0.000 0.841 574 V CB 0.912 32.729 31.823 -0.010 0.000 0.991 574 V HN 0.709 nan 8.190 nan 0.000 0.437 575 F N 6.381 126.295 119.950 -0.060 0.000 2.445 575 F HA 0.586 5.113 4.527 -0.000 0.000 0.359 575 F C -0.145 175.642 175.800 -0.023 0.000 1.101 575 F CA -0.094 57.873 58.000 -0.056 0.000 1.177 575 F CB 0.911 39.878 39.000 -0.055 0.000 1.110 575 F HN 0.269 nan 8.300 nan 0.000 0.522 576 V N 7.388 126.957 119.914 -0.576 0.000 2.495 576 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 576 V C -0.341 175.437 176.094 -0.527 0.000 1.031 576 V CA -0.892 61.182 62.300 -0.376 0.000 0.871 576 V CB 1.850 33.603 31.823 -0.117 0.000 0.988 576 V HN 0.649 nan 8.190 nan 0.000 0.432 577 R N 3.674 123.968 120.500 -0.344 0.000 2.393 577 R HA 0.655 4.995 4.340 -0.000 0.000 0.310 577 R C -1.319 174.916 176.300 -0.108 0.000 0.968 577 R CA -0.527 55.420 56.100 -0.255 0.000 0.867 577 R CB 1.692 31.893 30.300 -0.164 0.000 1.124 577 R HN 0.809 nan 8.270 nan 0.000 0.450 578 Y N -0.871 119.310 120.300 -0.199 0.000 2.545 578 Y HA 0.660 5.210 4.550 -0.000 0.000 0.348 578 Y C -0.463 175.366 175.900 -0.118 0.000 1.002 578 Y CA -1.309 56.687 58.100 -0.173 0.000 1.039 578 Y CB 1.352 39.704 38.460 -0.181 0.000 1.271 578 Y HN 0.551 nan 8.280 nan 0.000 0.467 579 S N 0.129 115.839 115.700 0.016 0.000 2.687 579 S HA 0.309 4.779 4.470 -0.000 0.000 0.283 579 S C 0.773 175.405 174.600 0.053 0.000 1.170 579 S CA -0.174 58.004 58.200 -0.036 0.000 1.008 579 S CB 1.221 64.398 63.200 -0.038 0.000 1.026 579 S HN 1.044 nan 8.310 nan 0.000 0.541 580 S N 0.553 116.259 115.700 0.010 0.000 2.442 580 S HA -0.046 4.424 4.470 -0.000 0.000 0.236 580 S C 1.744 176.370 174.600 0.043 0.000 1.007 580 S CA 0.552 58.776 58.200 0.041 0.000 0.965 580 S CB -0.962 62.245 63.200 0.012 0.000 0.773 580 S HN 1.087 nan 8.310 nan 0.000 0.504 581 A N 1.243 124.079 122.820 0.026 0.000 2.168 581 A HA 0.488 4.808 4.320 -0.000 0.000 0.215 581 A C 1.751 179.349 177.584 0.023 0.000 1.152 581 A CA 0.639 52.686 52.037 0.017 0.000 0.716 581 A CB -1.143 17.859 19.000 0.002 0.000 0.794 581 A HN 1.546 nan 8.150 nan 0.000 0.465 582 G N -0.482 108.344 108.800 0.044 0.000 2.165 582 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.226 582 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.226 582 G C 0.176 175.073 174.900 -0.005 0.000 1.035 582 G CA 0.397 45.516 45.100 0.032 0.000 0.744 582 G HN 1.415 nan 8.290 nan 0.000 0.501 583 T N -1.272 113.279 114.554 -0.006 0.000 2.797 583 T HA 0.697 5.047 4.350 -0.000 0.000 0.279 583 T C 0.201 174.856 174.700 -0.075 0.000 0.991 583 T CA -0.915 61.157 62.100 -0.047 0.000 0.979 583 T CB 2.119 70.963 68.868 -0.039 0.000 0.943 583 T HN 0.443 nan 8.240 nan 0.000 0.444 584 I N 4.005 124.476 120.570 -0.164 0.000 2.406 584 I HA 0.133 4.303 4.170 -0.000 0.000 0.293 584 I C 1.329 177.359 176.117 -0.144 0.000 1.101 584 I CA -0.184 60.973 61.300 -0.238 0.000 1.334 584 I CB 0.166 37.867 38.000 -0.497 0.000 1.421 584 I HN 0.657 nan 8.210 nan 0.000 0.513 585 L N 4.609 125.766 121.223 -0.110 0.000 2.049 585 L HA 0.140 4.480 4.340 -0.000 0.000 0.203 585 L C 0.745 177.576 176.870 -0.064 0.000 1.074 585 L CA 1.148 55.936 54.840 -0.087 0.000 0.749 585 L CB -0.172 41.826 42.059 -0.102 0.000 0.907 585 L HN 0.591 nan 8.230 nan 0.000 0.439 586 E N -1.612 118.549 120.200 -0.064 0.000 2.408 586 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 586 E C -1.173 175.411 176.600 -0.026 0.000 0.935 586 E CA -0.361 56.033 56.400 -0.011 0.000 0.775 586 E CB 2.615 32.344 29.700 0.049 0.000 1.277 586 E HN -0.266 nan 8.360 nan 0.000 0.455 587 T N 1.260 115.835 114.554 0.034 0.000 3.160 587 T HA 0.234 4.584 4.350 -0.000 0.000 0.346 587 T C -1.356 173.418 174.700 0.123 0.000 1.027 587 T CA -0.339 61.786 62.100 0.042 0.000 1.287 587 T CB 0.399 69.277 68.868 0.017 0.000 0.997 587 T HN 0.116 nan 8.240 nan 0.000 0.518 588 V N 5.142 125.170 119.914 0.189 0.000 2.318 588 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 588 V C 0.302 176.524 176.094 0.214 0.000 1.030 588 V CA -0.898 61.554 62.300 0.253 0.000 0.844 588 V CB 0.908 32.898 31.823 0.279 0.000 1.015 588 V HN 0.679 nan 8.190 nan 0.000 0.460 589 L N 7.097 128.437 121.223 0.194 0.000 2.410 589 L HA 0.384 4.724 4.340 -0.000 0.000 0.273 589 L C -0.040 176.933 176.870 0.172 0.000 1.144 589 L CA 0.577 55.476 54.840 0.098 0.000 0.863 589 L CB 0.366 42.366 42.059 -0.098 0.000 1.140 589 L HN 0.537 nan 8.230 nan 0.000 0.463 590 I N 5.660 126.294 120.570 0.108 0.000 2.269 590 I HA 0.112 4.282 4.170 -0.000 0.000 0.293 590 I C 0.901 177.071 176.117 0.088 0.000 1.106 590 I CA 0.247 61.603 61.300 0.093 0.000 1.248 590 I CB 0.441 38.481 38.000 0.066 0.000 1.444 590 I HN 0.789 nan 8.210 nan 0.000 0.497 591 E N 3.254 123.521 120.200 0.112 0.000 2.364 591 E HA 0.104 4.454 4.350 -0.000 0.000 0.196 591 E C 0.437 177.080 176.600 0.070 0.000 0.990 591 E CA -0.123 56.331 56.400 0.090 0.000 0.886 591 E CB 0.362 30.135 29.700 0.122 0.000 0.866 591 E HN 0.513 nan 8.360 nan 0.000 0.493 592 S N -0.786 114.953 115.700 0.065 0.000 2.627 592 S HA 0.399 4.869 4.470 -0.000 0.000 0.283 592 S C 0.302 174.926 174.600 0.040 0.000 1.127 592 S CA -1.034 57.194 58.200 0.046 0.000 0.863 592 S CB 1.952 65.175 63.200 0.038 0.000 1.121 592 S HN -0.002 nan 8.310 nan 0.000 0.479 593 K N 0.632 121.053 120.400 0.034 0.000 2.147 593 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 593 K C 1.093 177.703 176.600 0.016 0.000 1.049 593 K CA 1.752 58.058 56.287 0.032 0.000 0.936 593 K CB -0.327 32.191 32.500 0.029 0.000 0.722 593 K HN 0.612 nan 8.250 nan 0.000 0.446 594 D N 0.955 121.360 120.400 0.009 0.000 2.116 594 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 594 D C 1.941 178.229 176.300 -0.019 0.000 0.998 594 D CA 1.393 55.389 54.000 -0.006 0.000 0.836 594 D CB -0.094 40.702 40.800 -0.007 0.000 0.951 594 D HN 0.257 nan 8.370 nan 0.000 0.449 595 M N 0.556 120.147 119.600 -0.014 0.000 2.132 595 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 595 M C 2.343 178.612 176.300 -0.051 0.000 1.065 595 M CA 1.033 56.313 55.300 -0.033 0.000 1.122 595 M CB -0.283 32.314 32.600 -0.004 0.000 1.365 595 M HN -0.012 nan 8.290 nan 0.000 0.411 596 E N 0.678 120.868 120.200 -0.018 0.000 2.085 596 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 596 E C 1.713 178.287 176.600 -0.042 0.000 0.994 596 E CA 1.389 57.779 56.400 -0.016 0.000 0.801 596 E CB 0.092 29.828 29.700 0.060 0.000 0.743 596 E HN 0.511 nan 8.360 nan 0.000 0.453 597 E N -0.158 120.025 120.200 -0.027 0.000 2.051 597 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 597 E C 2.260 178.824 176.600 -0.060 0.000 0.991 597 E CA 0.999 57.380 56.400 -0.032 0.000 0.799 597 E CB 0.010 29.698 29.700 -0.020 0.000 0.748 597 E HN 0.253 nan 8.360 nan 0.000 0.449 598 Q N 0.380 120.135 119.800 -0.074 0.000 2.170 598 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 598 Q C 2.316 178.231 176.000 -0.141 0.000 0.976 598 Q CA 0.684 56.429 55.803 -0.095 0.000 0.858 598 Q CB -0.349 28.333 28.738 -0.093 0.000 0.907 598 Q HN 0.253 nan 8.270 nan 0.000 0.433 599 L N -0.184 120.930 121.223 -0.180 0.000 2.046 599 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 599 L C 2.066 178.809 176.870 -0.211 0.000 1.077 599 L CA 1.510 56.189 54.840 -0.269 0.000 0.747 599 L CB -0.224 41.643 42.059 -0.320 0.000 0.896 599 L HN 0.102 nan 8.230 nan 0.000 0.432 600 M N -0.298 119.214 119.600 -0.147 0.000 2.254 600 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 600 M C 1.244 177.499 176.300 -0.075 0.000 1.066 600 M CA 0.984 56.226 55.300 -0.097 0.000 1.123 600 M CB -0.728 31.836 32.600 -0.059 0.000 1.388 600 M HN 0.322 nan 8.290 nan 0.000 0.425 601 A N -0.490 122.284 122.820 -0.077 0.000 2.325 601 A HA 0.567 4.887 4.320 -0.000 0.000 0.260 601 A C 0.797 178.341 177.584 -0.067 0.000 1.133 601 A CA -0.003 51.997 52.037 -0.062 0.000 0.801 601 A CB -0.568 18.397 19.000 -0.058 0.000 1.092 601 A HN 0.417 nan 8.150 nan 0.000 0.504 609 S N -0.482 115.187 115.700 -0.053 0.000 1.797 609 S HA -0.441 4.029 4.470 -0.000 0.000 0.222 609 S C 1.797 176.402 174.600 0.009 0.000 0.922 609 S CA 2.654 60.841 58.200 -0.023 0.000 1.575 609 S CB -2.383 60.813 63.200 -0.006 0.000 2.104 609 S HN 0.881 nan 8.310 nan 0.000 0.544 610 F N 3.795 123.750 119.950 0.009 0.000 2.075 610 F HA 0.183 4.710 4.527 -0.000 0.000 0.297 610 F C 1.429 177.227 175.800 -0.004 0.000 1.113 610 F CA 1.639 59.672 58.000 0.055 0.000 1.218 610 F CB -1.272 37.764 39.000 0.060 0.000 0.984 610 F HN 1.039 nan 8.300 nan 0.000 0.472 611 N N 0.610 119.194 118.700 -0.193 0.000 2.696 611 N HA 0.433 5.173 4.740 -0.000 0.000 0.246 611 N C -3.301 171.998 175.510 -0.351 0.000 1.057 611 N CA -2.546 50.196 53.050 -0.514 0.000 0.867 611 N CB 1.650 39.540 38.487 -0.994 0.000 1.141 611 N HN 0.297 nan 8.380 nan 0.000 0.517 612 P HA 0.534 nan 4.420 nan 0.000 0.339 612 P C -0.855 176.403 177.300 -0.069 0.000 1.267 612 P CA -0.146 62.889 63.100 -0.108 0.000 0.801 612 P CB 1.062 32.721 31.700 -0.068 0.000 1.860 613 T N -0.967 113.553 114.554 -0.058 0.000 3.105 613 T HA 0.605 4.955 4.350 -0.000 0.000 0.321 613 T C -0.530 174.099 174.700 -0.119 0.000 1.135 613 T CA -0.473 61.598 62.100 -0.048 0.000 1.053 613 T CB -0.064 68.786 68.868 -0.030 0.000 1.133 613 T HN 0.452 nan 8.240 nan 0.000 0.463 614 L N 1.566 122.656 121.223 -0.222 0.000 4.747 614 L HA 0.546 4.886 4.340 -0.000 0.000 0.474 614 L C -0.384 176.222 176.870 -0.440 0.000 0.968 614 L CA -0.663 53.965 54.840 -0.353 0.000 1.822 614 L CB 0.081 41.894 42.059 -0.411 0.000 1.767 614 L HN 0.480 nan 8.230 nan 0.000 0.617 615 H N 1.386 120.451 119.070 -0.008 0.000 2.502 615 H HA 0.692 5.248 4.556 -0.000 0.000 0.338 615 H C 0.314 175.632 175.328 -0.018 0.000 1.155 615 H CA -0.079 55.961 56.048 -0.013 0.000 1.237 615 H CB 1.954 31.707 29.762 -0.014 0.000 1.534 615 H HN 0.202 nan 8.280 nan 0.000 0.523 616 G N -0.030 108.832 108.800 0.102 0.000 2.525 616 G HA2 0.207 4.167 3.960 -0.000 0.000 0.276 616 G HA3 0.207 4.167 3.960 -0.000 0.000 0.276 616 G C 0.665 175.577 174.900 0.020 0.000 1.388 616 G CA -0.126 44.999 45.100 0.040 0.000 1.050 616 G HN 0.640 nan 8.290 nan 0.000 0.520 617 G N -0.532 108.270 108.800 0.003 0.000 3.581 617 G HA2 0.332 4.292 3.960 -0.000 0.000 0.255 617 G HA3 0.332 4.292 3.960 -0.000 0.000 0.255 617 G C 0.466 175.352 174.900 -0.023 0.000 1.121 617 G CA 0.595 45.688 45.100 -0.012 0.000 1.739 617 G HN 0.631 nan 8.290 nan 0.000 0.646 618 D N -1.153 119.226 120.400 -0.034 0.000 2.480 618 D HA -0.013 4.627 4.640 -0.000 0.000 0.243 618 D C 0.209 176.451 176.300 -0.096 0.000 1.120 618 D CA 0.023 53.995 54.000 -0.047 0.000 0.835 618 D CB 0.570 41.353 40.800 -0.029 0.000 1.204 618 D HN 0.078 nan 8.370 nan 0.000 0.513 619 V N 1.482 121.326 119.914 -0.116 0.000 2.394 619 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 619 V C 0.211 176.139 176.094 -0.276 0.000 1.031 619 V CA -0.588 61.594 62.300 -0.197 0.000 0.881 619 V CB 1.776 33.521 31.823 -0.130 0.000 0.982 619 V HN -0.024 nan 8.190 nan 0.000 0.451 620 K N 2.537 122.605 120.400 -0.553 0.000 2.139 620 K HA 0.892 5.212 4.320 -0.000 0.000 0.243 620 K C -0.473 175.780 176.600 -0.580 0.000 0.983 620 K CA -0.598 55.327 56.287 -0.605 0.000 0.890 620 K CB 2.100 34.117 32.500 -0.806 0.000 1.090 620 K HN 0.782 nan 8.250 nan 0.000 0.445 621 A N 2.024 124.645 122.820 -0.330 0.000 2.414 621 A HA 0.662 4.982 4.320 -0.000 0.000 0.306 621 A C -1.328 176.152 177.584 -0.174 0.000 1.054 621 A CA -0.751 51.096 52.037 -0.316 0.000 0.724 621 A CB 0.756 19.599 19.000 -0.262 0.000 1.267 621 A HN 0.569 nan 8.150 nan 0.000 0.418 622 L N 1.466 122.558 121.223 -0.218 0.000 2.354 622 L HA 0.663 5.003 4.340 -0.000 0.000 0.269 622 L C -0.484 176.291 176.870 -0.158 0.000 1.005 622 L CA -0.753 54.021 54.840 -0.109 0.000 0.819 622 L CB 2.205 44.240 42.059 -0.040 0.000 1.311 622 L HN 0.736 nan 8.230 nan 0.000 0.423 623 M N 3.730 123.305 119.600 -0.043 0.000 2.101 623 M HA 0.468 4.948 4.480 -0.000 0.000 0.340 623 M C -1.252 174.981 176.300 -0.112 0.000 1.057 623 M CA -0.217 55.050 55.300 -0.056 0.000 0.984 623 M CB 0.818 33.449 32.600 0.051 0.000 1.560 623 M HN 0.323 nan 8.290 nan 0.000 0.435 624 L N 5.891 126.968 121.223 -0.244 0.000 2.272 624 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 624 L C -0.890 175.896 176.870 -0.141 0.000 1.032 624 L CA -0.443 54.211 54.840 -0.311 0.000 0.810 624 L CB 0.565 42.159 42.059 -0.774 0.000 1.205 624 L HN 0.580 nan 8.230 nan 0.000 0.422 625 F N 2.953 122.980 119.950 0.127 0.000 2.403 625 F HA 0.376 4.903 4.527 -0.000 0.000 0.326 625 F C -1.505 174.456 175.800 0.268 0.000 1.081 625 F CA -2.033 56.070 58.000 0.170 0.000 1.041 625 F CB 0.743 39.811 39.000 0.114 0.000 1.234 625 F HN 0.338 nan 8.300 nan 0.000 0.503 626 P HA 0.030 nan 4.420 nan 0.000 0.271 626 P C -0.855 176.545 177.300 0.167 0.000 1.601 626 P CA 0.752 63.983 63.100 0.218 0.000 0.856 626 P CB -0.344 31.439 31.700 0.138 0.000 1.820 627 N N -1.889 116.947 118.700 0.226 0.000 2.640 627 N HA 0.073 4.813 4.740 -0.000 0.000 0.379 627 N C 0.293 175.938 175.510 0.224 0.000 0.609 627 N CA 0.424 53.555 53.050 0.136 0.000 1.812 627 N CB -0.336 38.198 38.487 0.078 0.000 1.026 627 N HN 0.044 nan 8.380 nan 0.000 1.891 628 G N -0.833 108.135 108.800 0.281 0.000 3.016 628 G HA2 0.645 4.605 3.960 -0.000 0.000 0.270 628 G HA3 0.645 4.605 3.960 -0.000 0.000 0.270 628 G C -1.487 173.605 174.900 0.320 0.000 1.352 628 G CA -0.295 44.983 45.100 0.295 0.000 1.060 628 G HN 0.335 nan 8.290 nan 0.000 0.538 629 T N 0.086 114.682 114.554 0.069 0.000 2.841 629 T HA 0.558 4.908 4.350 -0.000 0.000 0.285 629 T C -0.362 174.281 174.700 -0.095 0.000 0.991 629 T CA -0.370 61.660 62.100 -0.117 0.000 0.966 629 T CB 1.349 69.869 68.868 -0.581 0.000 0.962 629 T HN 1.079 nan 8.240 nan 0.000 0.438 630 V N 0.881 120.830 119.914 0.058 0.000 2.680 630 V HA 0.850 4.970 4.120 -0.000 0.000 0.309 630 V C -0.134 175.977 176.094 0.029 0.000 1.052 630 V CA -1.018 61.321 62.300 0.063 0.000 0.908 630 V CB 1.761 33.686 31.823 0.170 0.000 1.001 630 V HN 0.667 nan 8.190 nan 0.000 0.431 631 V N 4.095 124.016 119.914 0.011 0.000 2.385 631 V HA 0.428 4.548 4.120 -0.000 0.000 0.269 631 V C -0.157 175.934 176.094 -0.005 0.000 1.043 631 V CA -0.041 62.266 62.300 0.011 0.000 0.906 631 V CB 0.684 32.524 31.823 0.028 0.000 0.995 631 V HN 1.049 nan 8.190 nan 0.000 0.467 632 D N 6.134 126.532 120.400 -0.003 0.000 2.255 632 D HA 0.354 4.994 4.640 -0.000 0.000 0.249 632 D C 0.003 176.275 176.300 -0.047 0.000 1.078 632 D CA -0.023 53.969 54.000 -0.014 0.000 0.896 632 D CB 2.171 43.010 40.800 0.064 0.000 1.194 632 D HN 0.383 nan 8.370 nan 0.000 0.429 633 L N 0.000 121.169 121.223 -0.090 0.000 2.949 633 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 633 L CA 0.000 54.709 54.840 -0.218 0.000 0.813 633 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 633 L HN 0.000 nan 8.230 nan 0.000 0.502