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 3l5q_1_Q DATA FIRST_RESID 601 DATA SEQUENCE QFNPYGDNGX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GTILGIAGED FAVLAGDTRN ITDYSINSRY EPKVFDCGDN IVMSANGFAA DATA SEQUENCE DGDALVKRFK NSVKWYHFDH NDKKLSINSA ARNIQHLLYG KRFFPYYVHT DATA SEQUENCE IIAGLDEDGK GAVYSFDPVG SYEREQCRAG GAAASLIMPF LDNQVNFKNQ DATA SEQUENCE YEPGTNGKVK KPLKYLSVEE VIKLVRDSFT SATERHIQVG DGLEILIVTK DATA SEQUENCE DGVRKEFYEL KRD 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 601 Q HA 0.000 nan 4.340 nan 0.000 0.214 601 Q C 0.000 176.056 176.000 0.093 0.000 1.003 601 Q CA 0.000 55.840 55.803 0.061 0.000 1.022 601 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 602 F N 2.945 122.886 119.950 -0.014 0.000 2.424 602 F HA 0.393 4.920 4.527 0.000 0.000 0.356 602 F C -0.421 175.369 175.800 -0.016 0.000 1.110 602 F CA -0.066 57.926 58.000 -0.013 0.000 1.161 602 F CB 0.559 39.551 39.000 -0.013 0.000 1.115 602 F HN 0.460 nan 8.300 nan 0.000 0.507 603 N N 8.071 126.411 118.700 -0.600 0.000 2.437 603 N HA 0.309 5.049 4.740 0.000 0.000 0.259 603 N C -2.195 172.759 175.510 -0.926 0.000 0.983 603 N CA -1.798 50.934 53.050 -0.530 0.000 0.937 603 N CB 1.513 39.828 38.487 -0.287 0.000 1.122 603 N HN 0.407 nan 8.380 nan 0.000 0.499 604 P HA 0.171 nan 4.420 nan 0.000 0.249 604 P C -1.346 175.627 177.300 -0.546 0.000 1.544 604 P CA 0.122 62.941 63.100 -0.469 0.000 0.932 604 P CB -0.201 31.447 31.700 -0.087 0.000 1.524 605 Y N -0.731 119.269 120.300 -0.499 0.000 2.625 605 Y HA 0.656 5.206 4.550 0.000 0.000 0.338 605 Y C 0.683 176.031 175.900 -0.921 0.000 1.123 605 Y CA -0.472 57.102 58.100 -0.876 0.000 1.046 605 Y CB 1.991 40.061 38.460 -0.649 0.000 1.299 605 Y HN -0.016 nan 8.280 nan 0.000 0.464 606 G N 0.095 108.258 108.800 -1.062 0.000 2.721 606 G HA2 0.505 4.465 3.960 0.000 0.000 0.296 606 G HA3 0.505 4.465 3.960 0.000 0.000 0.296 606 G C -2.241 172.563 174.900 -0.159 0.000 1.383 606 G CA -0.553 44.264 45.100 -0.472 0.000 0.788 606 G HN 0.377 nan 8.290 nan 0.000 0.500 607 D N -1.597 118.826 120.400 0.039 0.000 2.819 607 D HA 0.488 5.128 4.640 0.000 0.000 0.232 607 D C -0.377 176.015 176.300 0.153 0.000 1.160 607 D CA -0.591 53.493 54.000 0.140 0.000 0.858 607 D CB 2.149 42.997 40.800 0.080 0.000 1.610 607 D HN 0.188 nan 8.370 nan 0.000 0.481 608 N N 0.549 119.353 118.700 0.173 0.000 2.118 608 N HA 0.387 5.127 4.740 0.000 0.000 0.226 608 N C 0.463 176.027 175.510 0.090 0.000 1.305 608 N CA 0.113 53.241 53.050 0.130 0.000 0.890 608 N CB 1.374 39.951 38.487 0.149 0.000 1.118 608 N HN 0.627 nan 8.380 nan 0.000 0.511 6002 T N 0.487 115.076 114.554 0.058 0.000 3.295 6002 T HA 0.535 4.885 4.350 0.000 0.000 0.331 6002 T C -0.392 174.420 174.700 0.186 0.000 1.142 6002 T CA -0.301 61.830 62.100 0.052 0.000 1.078 6002 T CB 0.889 69.728 68.868 -0.048 0.000 1.150 6002 T HN 1.068 nan 8.240 nan 0.000 0.465 6003 I N 1.109 121.762 120.570 0.138 0.000 2.846 6003 I HA 0.979 5.149 4.170 0.000 0.000 0.307 6003 I C -1.553 174.673 176.117 0.181 0.000 1.053 6003 I CA -1.487 59.930 61.300 0.194 0.000 1.050 6003 I CB 2.132 40.210 38.000 0.129 0.000 1.239 6003 I HN 0.541 nan 8.210 nan 0.000 0.439 6004 L N 3.276 124.633 121.223 0.224 0.000 2.493 6004 L HA 0.882 5.222 4.340 0.000 0.000 0.265 6004 L C -0.847 176.110 176.870 0.145 0.000 0.954 6004 L CA 0.162 55.109 54.840 0.179 0.000 0.844 6004 L CB 2.020 44.231 42.059 0.253 0.000 1.302 6004 L HN 0.903 nan 8.230 nan 0.000 0.405 6005 G N 5.280 114.137 108.800 0.096 0.000 2.590 6005 G HA2 0.720 4.680 3.960 0.000 0.000 0.310 6005 G HA3 0.720 4.680 3.960 0.000 0.000 0.310 6005 G C -1.461 173.457 174.900 0.031 0.000 1.347 6005 G CA -0.423 44.717 45.100 0.066 0.000 0.963 6005 G HN 0.591 nan 8.290 nan 0.000 0.494 6006 I N 1.485 122.065 120.570 0.016 0.000 2.499 6006 I HA 0.500 4.670 4.170 0.000 0.000 0.288 6006 I C 0.248 176.306 176.117 -0.099 0.000 1.048 6006 I CA -0.960 60.326 61.300 -0.022 0.000 1.062 6006 I CB 2.373 40.381 38.000 0.014 0.000 1.238 6006 I HN 0.573 nan 8.210 nan 0.000 0.426 6007 A N 4.928 127.666 122.820 -0.137 0.000 2.252 6007 A HA 0.748 5.068 4.320 0.000 0.000 0.309 6007 A C 0.368 177.766 177.584 -0.311 0.000 1.285 6007 A CA -0.230 51.674 52.037 -0.222 0.000 0.900 6007 A CB 0.439 19.319 19.000 -0.200 0.000 1.157 6007 A HN 0.836 nan 8.150 nan 0.000 0.536 6008 G N 0.371 108.787 108.800 -0.640 0.000 2.525 6008 G HA2 0.379 4.339 3.960 0.000 0.000 0.287 6008 G HA3 0.379 4.339 3.960 0.000 0.000 0.287 6008 G C 0.622 175.293 174.900 -0.382 0.000 1.350 6008 G CA 0.289 44.865 45.100 -0.873 0.000 1.039 6008 G HN 0.786 nan 8.290 nan 0.000 0.513 6009 E N -1.130 119.023 120.200 -0.079 0.000 2.075 6009 E HA -0.061 4.289 4.350 0.000 0.000 0.190 6009 E C 1.086 177.731 176.600 0.075 0.000 0.969 6009 E CA 1.364 57.758 56.400 -0.009 0.000 0.815 6009 E CB 0.142 29.914 29.700 0.120 0.000 0.776 6009 E HN 0.540 nan 8.360 nan 0.000 0.457 6010 D N -0.836 119.724 120.400 0.267 0.000 2.501 6010 D HA 0.138 4.778 4.640 0.000 0.000 0.224 6010 D C -0.127 176.375 176.300 0.337 0.000 1.202 6010 D CA -0.415 53.729 54.000 0.241 0.000 0.829 6010 D CB 0.023 40.944 40.800 0.201 0.000 1.023 6010 D HN 0.156 nan 8.370 nan 0.000 0.499 6011 F N -1.530 118.452 119.950 0.054 0.000 2.779 6011 F HA 0.854 5.381 4.527 0.000 0.000 0.316 6011 F C -2.090 173.744 175.800 0.057 0.000 1.164 6011 F CA -1.780 56.253 58.000 0.055 0.000 0.924 6011 F CB 0.958 39.993 39.000 0.060 0.000 1.348 6011 F HN -0.018 nan 8.300 nan 0.000 0.467 6012 A N 0.945 123.804 122.820 0.064 0.000 2.566 6012 A HA 0.759 5.079 4.320 0.000 0.000 0.297 6012 A C -1.562 176.092 177.584 0.117 0.000 1.059 6012 A CA -0.271 51.729 52.037 -0.062 0.000 0.691 6012 A CB 1.283 20.253 19.000 -0.050 0.000 1.282 6012 A HN 2.084 nan 8.150 nan 0.000 0.401 6013 V N -0.028 119.946 119.914 0.099 0.000 2.715 6013 V HA 0.891 5.011 4.120 0.000 0.000 0.310 6013 V C -0.526 175.620 176.094 0.087 0.000 1.054 6013 V CA -0.865 61.515 62.300 0.134 0.000 0.928 6013 V CB 1.834 33.767 31.823 0.183 0.000 1.007 6013 V HN 1.059 nan 8.190 nan 0.000 0.437 6014 L N 3.544 124.815 121.223 0.080 0.000 2.504 6014 L HA 0.820 5.160 4.340 0.000 0.000 0.265 6014 L C -0.315 176.584 176.870 0.049 0.000 0.975 6014 L CA -0.256 54.625 54.840 0.067 0.000 0.864 6014 L CB 1.152 43.245 42.059 0.056 0.000 1.212 6014 L HN 1.117 nan 8.230 nan 0.000 0.416 6015 A N 3.125 125.983 122.820 0.064 0.000 2.340 6015 A HA 0.962 5.282 4.320 0.000 0.000 0.331 6015 A C -0.215 177.372 177.584 0.005 0.000 1.140 6015 A CA -0.127 51.910 52.037 -0.001 0.000 0.801 6015 A CB 1.824 20.806 19.000 -0.030 0.000 1.234 6015 A HN 0.797 nan 8.150 nan 0.000 0.469 6016 G N 0.816 109.555 108.800 -0.102 0.000 2.690 6016 G HA2 0.566 4.526 3.960 0.000 0.000 0.293 6016 G HA3 0.566 4.526 3.960 0.000 0.000 0.293 6016 G C -1.290 173.527 174.900 -0.139 0.000 1.399 6016 G CA -0.517 44.553 45.100 -0.050 0.000 0.890 6016 G HN 0.852 nan 8.290 nan 0.000 0.485 6017 D N -0.944 119.452 120.400 -0.008 0.000 2.377 6017 D HA 0.314 4.955 4.640 0.000 0.000 0.245 6017 D C 0.747 177.031 176.300 -0.026 0.000 1.196 6017 D CA -0.270 53.732 54.000 0.005 0.000 0.962 6017 D CB 1.018 41.903 40.800 0.141 0.000 1.127 6017 D HN 0.186 nan 8.370 nan 0.000 0.471 6018 T N -1.323 113.234 114.554 0.006 0.000 3.069 6018 T HA 0.067 4.417 4.350 0.000 0.000 0.252 6018 T C 0.942 175.624 174.700 -0.031 0.000 1.053 6018 T CA -0.322 61.737 62.100 -0.068 0.000 0.964 6018 T CB -0.023 68.856 68.868 0.018 0.000 1.005 6018 T HN 0.310 nan 8.240 nan 0.000 0.532 6019 R N 2.745 123.258 120.500 0.022 0.000 2.308 6019 R HA 0.279 4.619 4.340 0.000 0.000 0.305 6019 R C -0.761 175.553 176.300 0.024 0.000 1.053 6019 R CA -0.342 55.782 56.100 0.040 0.000 0.957 6019 R CB 0.355 30.695 30.300 0.067 0.000 1.022 6019 R HN 0.021 nan 8.270 nan 0.000 0.461 6020 N N 5.245 123.961 118.700 0.027 0.000 2.448 6020 N HA 0.261 5.001 4.740 0.000 0.000 0.279 6020 N C -1.272 174.266 175.510 0.047 0.000 1.025 6020 N CA -0.509 52.559 53.050 0.031 0.000 0.898 6020 N CB 1.099 39.596 38.487 0.017 0.000 1.303 6020 N HN 0.560 nan 8.380 nan 0.000 0.495 6021 I N -0.437 120.166 120.570 0.055 0.000 3.108 6021 I HA 0.640 4.810 4.170 0.000 0.000 0.312 6021 I C -0.347 175.805 176.117 0.058 0.000 1.095 6021 I CA -0.548 60.785 61.300 0.054 0.000 1.000 6021 I CB 2.075 40.102 38.000 0.045 0.000 1.229 6021 I HN 0.150 nan 8.210 nan 0.000 0.454 6022 T N 2.923 117.508 114.554 0.051 0.000 2.930 6022 T HA 0.387 4.737 4.350 0.000 0.000 0.313 6022 T C -0.459 174.255 174.700 0.023 0.000 1.019 6022 T CA 0.006 62.134 62.100 0.047 0.000 1.004 6022 T CB 0.399 69.304 68.868 0.062 0.000 0.987 6022 T HN 0.874 nan 8.240 nan 0.000 0.456 6023 D N 1.769 122.153 120.400 -0.026 0.000 4.508 6023 D HA -0.228 4.412 4.640 0.000 0.000 0.178 6023 D C 0.406 176.564 176.300 -0.236 0.000 0.644 6023 D CA 1.939 55.879 54.000 -0.100 0.000 1.244 6023 D CB -0.759 40.055 40.800 0.022 0.000 0.727 6023 D HN 0.654 nan 8.370 nan 0.000 0.495 6024 Y N 0.118 120.440 120.300 0.036 0.000 2.471 6024 Y HA 0.415 4.965 4.550 0.000 0.000 0.249 6024 Y C 0.955 176.877 175.900 0.037 0.000 1.116 6024 Y CA 0.344 58.464 58.100 0.034 0.000 1.240 6024 Y CB 1.048 39.522 38.460 0.024 0.000 1.251 6024 Y HN 0.029 nan 8.280 nan 0.000 0.527 6025 S N 0.015 115.806 115.700 0.152 0.000 2.713 6025 S HA 0.595 5.065 4.470 0.000 0.000 0.283 6025 S C -0.415 174.236 174.600 0.086 0.000 1.161 6025 S CA -0.467 57.801 58.200 0.112 0.000 0.999 6025 S CB 0.428 63.683 63.200 0.091 0.000 1.039 6025 S HN 0.091 nan 8.310 nan 0.000 0.548 6026 I N 3.330 123.946 120.570 0.077 0.000 2.392 6026 I HA 0.311 4.481 4.170 0.000 0.000 0.295 6026 I C 0.445 176.599 176.117 0.061 0.000 0.985 6026 I CA -0.630 60.711 61.300 0.068 0.000 1.221 6026 I CB 1.639 39.681 38.000 0.069 0.000 1.366 6026 I HN 0.649 nan 8.210 nan 0.000 0.467 6027 N N 2.504 121.238 118.700 0.057 0.000 2.322 6027 N HA 0.047 4.787 4.740 0.000 0.000 0.186 6027 N C 0.290 175.830 175.510 0.050 0.000 1.037 6027 N CA 0.595 53.677 53.050 0.053 0.000 0.869 6027 N CB 0.321 38.840 38.487 0.053 0.000 1.036 6027 N HN 0.528 nan 8.380 nan 0.000 0.439 6028 S N -0.967 114.762 115.700 0.047 0.000 2.588 6028 S HA 0.465 4.935 4.470 0.000 0.000 0.275 6028 S C 0.234 174.871 174.600 0.061 0.000 1.130 6028 S CA -0.657 57.575 58.200 0.052 0.000 0.855 6028 S CB 1.778 65.002 63.200 0.041 0.000 1.116 6028 S HN 0.054 nan 8.310 nan 0.000 0.472 6029 R N 0.570 121.122 120.500 0.088 0.000 2.189 6029 R HA 0.156 4.496 4.340 0.000 0.000 0.203 6029 R C -0.603 175.793 176.300 0.160 0.000 1.012 6029 R CA 0.498 56.667 56.100 0.115 0.000 1.015 6029 R CB 0.236 30.609 30.300 0.122 0.000 0.938 6029 R HN 0.616 nan 8.270 nan 0.000 0.472 6030 Y N 1.175 121.474 120.300 -0.001 0.000 2.426 6030 Y HA 0.274 4.824 4.550 0.000 0.000 0.325 6030 Y C -1.363 174.508 175.900 -0.047 0.000 0.989 6030 Y CA -1.157 56.914 58.100 -0.048 0.000 1.284 6030 Y CB 1.217 39.623 38.460 -0.090 0.000 1.104 6030 Y HN -0.137 nan 8.280 nan 0.000 0.481 6031 E N 7.443 127.385 120.200 -0.430 0.000 2.466 6031 E HA 0.428 4.778 4.350 0.000 0.000 0.308 6031 E C -3.158 173.183 176.600 -0.433 0.000 0.933 6031 E CA -1.885 54.317 56.400 -0.330 0.000 0.800 6031 E CB 1.419 31.047 29.700 -0.118 0.000 1.434 6031 E HN 0.269 nan 8.360 nan 0.000 0.389 6032 P HA 0.337 nan 4.420 nan 0.000 0.274 6032 P C -0.315 176.646 177.300 -0.565 0.000 1.237 6032 P CA -0.408 62.323 63.100 -0.615 0.000 0.793 6032 P CB 1.241 32.555 31.700 -0.643 0.000 0.977 6033 K N 0.259 120.313 120.400 -0.576 0.000 2.474 6033 K HA 0.168 4.488 4.320 0.000 0.000 0.202 6033 K C -0.451 175.844 176.600 -0.509 0.000 1.248 6033 K CA 0.332 56.384 56.287 -0.391 0.000 0.946 6033 K CB 0.606 32.990 32.500 -0.193 0.000 1.102 6033 K HN 0.251 nan 8.250 nan 0.000 0.541 6034 V N 1.731 121.286 119.914 -0.599 0.000 2.370 6034 V HA 0.546 4.666 4.120 0.000 0.000 0.283 6034 V C -0.798 174.983 176.094 -0.523 0.000 1.023 6034 V CA -0.822 61.239 62.300 -0.398 0.000 0.857 6034 V CB 0.782 32.480 31.823 -0.209 0.000 0.985 6034 V HN -0.089 nan 8.190 nan 0.000 0.443 6035 F N 1.557 121.494 119.950 -0.023 0.000 2.532 6035 F HA 0.495 5.022 4.527 0.000 0.000 0.321 6035 F C 0.279 176.084 175.800 0.007 0.000 1.089 6035 F CA -0.860 57.131 58.000 -0.015 0.000 0.926 6035 F CB 1.657 40.644 39.000 -0.022 0.000 1.168 6035 F HN 0.485 nan 8.300 nan 0.000 0.459 6036 D N 1.457 121.987 120.400 0.217 0.000 2.317 6036 D HA 0.162 4.802 4.640 0.000 0.000 0.252 6036 D C 0.021 176.401 176.300 0.134 0.000 1.174 6036 D CA 0.100 54.184 54.000 0.141 0.000 0.866 6036 D CB 1.206 42.067 40.800 0.103 0.000 1.127 6036 D HN 0.596 nan 8.370 nan 0.000 0.467 6037 C N 3.066 122.442 119.300 0.125 0.000 3.038 6037 C HA 0.549 5.009 4.460 0.000 0.000 0.279 6037 C C 1.095 176.119 174.990 0.057 0.000 1.276 6037 C CA 0.260 59.342 59.018 0.106 0.000 1.697 6037 C CB -1.020 26.852 27.740 0.220 0.000 2.032 6037 C HN 0.884 nan 8.230 nan 0.000 0.636 6038 G N 1.165 110.007 108.800 0.070 0.000 2.757 6038 G HA2 -0.040 3.920 3.960 0.000 0.000 0.638 6038 G HA3 -0.040 3.920 3.960 0.000 0.000 0.638 6038 G C -0.452 174.497 174.900 0.081 0.000 1.344 6038 G CA -0.109 45.033 45.100 0.069 0.000 0.855 6038 G HN 0.248 nan 8.290 nan 0.000 0.537 6039 D N -0.001 120.459 120.400 0.100 0.000 2.733 6039 D HA -0.205 4.435 4.640 0.000 0.000 0.232 6039 D C 0.872 177.223 176.300 0.086 0.000 1.161 6039 D CA 1.813 55.873 54.000 0.101 0.000 0.653 6039 D CB -1.407 39.461 40.800 0.112 0.000 1.052 6039 D HN 1.115 nan 8.370 nan 0.000 0.424 6040 N N -0.949 117.801 118.700 0.082 0.000 2.705 6040 N HA -0.227 4.513 4.740 0.000 0.000 0.255 6040 N C -0.718 174.846 175.510 0.089 0.000 1.008 6040 N CA 0.657 53.756 53.050 0.081 0.000 0.742 6040 N CB -0.692 37.840 38.487 0.076 0.000 0.906 6040 N HN 0.470 nan 8.380 nan 0.000 0.541 6041 I N 0.854 121.485 120.570 0.101 0.000 2.512 6041 I HA 0.308 4.478 4.170 0.000 0.000 0.287 6041 I C 0.184 176.369 176.117 0.114 0.000 1.069 6041 I CA -1.018 60.349 61.300 0.113 0.000 1.056 6041 I CB 1.847 39.939 38.000 0.152 0.000 1.229 6041 I HN -0.178 nan 8.210 nan 0.000 0.429 6042 V N 4.793 124.763 119.914 0.093 0.000 2.513 6042 V HA 0.812 4.932 4.120 0.000 0.000 0.299 6042 V C -0.297 175.835 176.094 0.064 0.000 1.035 6042 V CA -0.581 61.772 62.300 0.088 0.000 0.889 6042 V CB 1.655 33.522 31.823 0.074 0.000 0.988 6042 V HN 0.901 nan 8.190 nan 0.000 0.440 6043 M N 2.915 122.556 119.600 0.069 0.000 2.631 6043 M HA 0.886 5.366 4.480 0.000 0.000 0.288 6043 M C -0.987 175.350 176.300 0.061 0.000 1.260 6043 M CA -0.413 54.900 55.300 0.020 0.000 0.842 6043 M CB 2.438 34.971 32.600 -0.113 0.000 1.743 6043 M HN 0.690 nan 8.290 nan 0.000 0.461 6044 S N 0.937 116.656 115.700 0.031 0.000 2.649 6044 S HA 0.815 5.285 4.470 0.000 0.000 0.274 6044 S C -1.641 172.976 174.600 0.030 0.000 1.176 6044 S CA -0.388 57.840 58.200 0.046 0.000 0.988 6044 S CB 1.656 64.872 63.200 0.027 0.000 1.071 6044 S HN 1.041 nan 8.310 nan 0.000 0.478 6045 A N 4.738 127.579 122.820 0.035 0.000 2.328 6045 A HA 0.592 4.912 4.320 0.000 0.000 0.318 6045 A C -0.234 177.378 177.584 0.046 0.000 1.347 6045 A CA -0.694 51.345 52.037 0.004 0.000 0.842 6045 A CB 0.225 19.190 19.000 -0.057 0.000 1.148 6045 A HN 0.747 nan 8.150 nan 0.000 0.499 6046 N N 2.084 120.827 118.700 0.071 0.000 2.370 6046 N HA 0.669 5.409 4.740 0.000 0.000 0.303 6046 N C 0.488 176.064 175.510 0.110 0.000 1.103 6046 N CA 0.693 53.795 53.050 0.088 0.000 0.848 6046 N CB 1.995 40.534 38.487 0.087 0.000 1.235 6046 N HN 0.880 nan 8.380 nan 0.000 0.496 6047 G N 2.340 111.221 108.800 0.135 0.000 1.742 6047 G HA2 -0.130 3.830 3.960 0.000 0.000 0.185 6047 G HA3 -0.130 3.830 3.960 0.000 0.000 0.185 6047 G C -1.235 173.862 174.900 0.328 0.000 1.174 6047 G CA -0.521 44.700 45.100 0.202 0.000 1.276 6047 G HN 0.492 nan 8.290 nan 0.000 0.424 6048 F N 4.037 124.128 119.950 0.235 0.000 2.375 6048 F HA 0.742 5.269 4.527 0.000 0.000 0.362 6048 F C 1.452 177.345 175.800 0.155 0.000 1.129 6048 F CA -0.340 57.794 58.000 0.224 0.000 1.154 6048 F CB 0.825 40.029 39.000 0.340 0.000 1.205 6048 F HN 0.798 nan 8.300 nan 0.000 0.513 6049 A N 5.983 128.786 122.820 -0.028 0.000 1.869 6049 A HA -0.198 4.122 4.320 0.000 0.000 0.218 6049 A C 2.416 179.796 177.584 -0.340 0.000 1.203 6049 A CA 2.446 54.400 52.037 -0.138 0.000 0.638 6049 A CB -1.411 17.562 19.000 -0.045 0.000 0.831 6049 A HN 1.004 nan 8.150 nan 0.000 0.450 6050 A N -0.744 121.687 122.820 -0.649 0.000 1.927 6050 A HA -0.281 4.039 4.320 0.000 0.000 0.220 6050 A C 1.845 179.165 177.584 -0.440 0.000 1.185 6050 A CA 2.396 54.100 52.037 -0.555 0.000 0.639 6050 A CB -0.748 17.887 19.000 -0.609 0.000 0.820 6050 A HN 0.516 nan 8.150 nan 0.000 0.451 6051 D N -1.090 118.973 120.400 -0.563 0.000 2.149 6051 D HA 0.013 4.653 4.640 0.000 0.000 0.201 6051 D C 2.124 178.407 176.300 -0.028 0.000 0.972 6051 D CA 1.318 55.281 54.000 -0.061 0.000 0.835 6051 D CB -0.503 40.447 40.800 0.250 0.000 0.966 6051 D HN 0.402 nan 8.370 nan 0.000 0.476 6052 G N 0.334 109.089 108.800 -0.075 0.000 2.394 6052 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 6052 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 6052 G C 1.388 176.227 174.900 -0.102 0.000 1.165 6052 G CA 0.471 45.530 45.100 -0.068 0.000 0.784 6052 G HN 0.102 nan 8.290 nan 0.000 0.535 6053 D N 1.106 121.448 120.400 -0.097 0.000 2.133 6053 D HA -0.106 4.534 4.640 0.000 0.000 0.195 6053 D C 2.778 178.979 176.300 -0.164 0.000 0.997 6053 D CA 1.408 55.337 54.000 -0.118 0.000 0.840 6053 D CB -0.343 40.394 40.800 -0.105 0.000 0.947 6053 D HN 0.296 nan 8.370 nan 0.000 0.452 6054 A N 0.041 122.771 122.820 -0.150 0.000 1.968 6054 A HA -0.076 4.244 4.320 0.000 0.000 0.217 6054 A C 2.132 179.582 177.584 -0.224 0.000 1.169 6054 A CA 0.757 52.714 52.037 -0.134 0.000 0.638 6054 A CB -0.471 18.504 19.000 -0.042 0.000 0.812 6054 A HN 0.258 nan 8.150 nan 0.000 0.446 6055 L N -0.659 120.346 121.223 -0.363 0.000 2.109 6055 L HA -0.008 4.332 4.340 0.000 0.000 0.207 6055 L C 2.325 179.021 176.870 -0.291 0.000 1.086 6055 L CA 1.413 55.935 54.840 -0.529 0.000 0.760 6055 L CB -0.383 41.257 42.059 -0.699 0.000 0.910 6055 L HN 0.116 nan 8.230 nan 0.000 0.437 6056 V N 0.008 119.787 119.914 -0.225 0.000 2.255 6056 V HA -0.346 3.774 4.120 0.000 0.000 0.247 6056 V C 2.721 178.724 176.094 -0.151 0.000 1.051 6056 V CA 2.138 64.337 62.300 -0.169 0.000 1.018 6056 V CB -0.506 31.174 31.823 -0.238 0.000 0.641 6056 V HN 0.490 nan 8.190 nan 0.000 0.445 6057 K N -0.559 119.724 120.400 -0.195 0.000 2.059 6057 K HA -0.282 4.038 4.320 0.000 0.000 0.212 6057 K C 2.374 178.907 176.600 -0.113 0.000 1.050 6057 K CA 2.198 58.390 56.287 -0.159 0.000 0.927 6057 K CB -0.227 32.188 32.500 -0.142 0.000 0.714 6057 K HN 0.260 nan 8.250 nan 0.000 0.447 6058 R N -0.716 119.718 120.500 -0.110 0.000 2.148 6058 R HA -0.108 4.232 4.340 0.000 0.000 0.227 6058 R C 2.119 178.388 176.300 -0.052 0.000 1.103 6058 R CA 1.151 57.203 56.100 -0.081 0.000 0.983 6058 R CB -0.135 30.105 30.300 -0.098 0.000 0.874 6058 R HN 0.191 nan 8.270 nan 0.000 0.451 6059 F N 0.852 120.686 119.950 -0.193 0.000 2.179 6059 F HA 0.046 4.573 4.527 0.000 0.000 0.292 6059 F C 1.741 177.443 175.800 -0.164 0.000 1.089 6059 F CA 1.135 59.023 58.000 -0.186 0.000 1.295 6059 F CB -0.002 38.865 39.000 -0.221 0.000 1.041 6059 F HN -0.220 nan 8.300 nan 0.000 0.487 6060 K N 0.326 120.641 120.400 -0.142 0.000 2.173 6060 K HA -0.274 4.046 4.320 0.000 0.000 0.207 6060 K C 1.972 178.398 176.600 -0.290 0.000 1.046 6060 K CA 1.618 57.769 56.287 -0.227 0.000 0.929 6060 K CB -0.449 31.972 32.500 -0.132 0.000 0.720 6060 K HN 0.418 nan 8.250 nan 0.000 0.453 6061 N N -0.253 118.316 118.700 -0.218 0.000 2.333 6061 N HA -0.076 4.664 4.740 0.000 0.000 0.178 6061 N C 1.668 177.099 175.510 -0.131 0.000 1.018 6061 N CA 0.453 53.418 53.050 -0.142 0.000 0.882 6061 N CB 0.191 38.654 38.487 -0.042 0.000 0.984 6061 N HN -0.008 nan 8.380 nan 0.000 0.434 6062 S N -0.059 115.492 115.700 -0.248 0.000 2.423 6062 S HA -0.025 4.445 4.470 0.000 0.000 0.231 6062 S C 1.932 176.333 174.600 -0.331 0.000 1.014 6062 S CA 0.532 58.587 58.200 -0.240 0.000 0.965 6062 S CB 0.014 63.040 63.200 -0.291 0.000 0.785 6062 S HN 0.129 nan 8.310 nan 0.000 0.495 6063 V N 1.575 121.154 119.914 -0.558 0.000 2.283 6063 V HA -0.088 4.032 4.120 0.000 0.000 0.243 6063 V C 2.439 178.145 176.094 -0.647 0.000 1.039 6063 V CA 1.797 63.727 62.300 -0.617 0.000 1.016 6063 V CB -0.570 30.856 31.823 -0.661 0.000 0.650 6063 V HN 0.452 nan 8.190 nan 0.000 0.449 6064 K N -1.295 118.773 120.400 -0.554 0.000 2.127 6064 K HA -0.265 4.055 4.320 0.000 0.000 0.208 6064 K C 1.889 177.972 176.600 -0.862 0.000 1.047 6064 K CA 2.337 58.211 56.287 -0.688 0.000 0.927 6064 K CB -0.220 31.869 32.500 -0.684 0.000 0.716 6064 K HN 0.589 nan 8.250 nan 0.000 0.450 6065 W N -1.060 119.955 121.300 -0.475 0.000 2.812 6065 W HA 0.019 4.679 4.660 0.000 0.000 0.263 6065 W C 1.764 178.259 176.519 -0.040 0.000 1.284 6065 W CA -0.172 56.997 57.345 -0.294 0.000 1.430 6065 W CB -0.022 29.319 29.460 -0.199 0.000 1.088 6065 W HN 0.138 nan 8.180 nan 0.000 0.623 6066 Y N -0.108 120.188 120.300 -0.007 0.000 2.457 6066 Y HA -0.189 4.361 4.550 0.000 0.000 0.292 6066 Y C 2.339 178.353 175.900 0.190 0.000 1.125 6066 Y CA 1.649 59.781 58.100 0.053 0.000 1.254 6066 Y CB -0.400 37.993 38.460 -0.113 0.000 1.012 6066 Y HN -0.110 nan 8.280 nan 0.000 0.555 6067 H N -0.342 118.834 119.070 0.176 0.000 2.253 6067 H HA -0.145 4.411 4.556 0.000 0.000 0.299 6067 H C 2.032 177.514 175.328 0.257 0.000 1.064 6067 H CA 1.942 58.092 56.048 0.170 0.000 1.264 6067 H CB -1.144 28.712 29.762 0.158 0.000 1.371 6067 H HN 0.279 nan 8.280 nan 0.000 0.493 6068 F N 1.345 121.353 119.950 0.096 0.000 2.154 6068 F HA -0.172 4.356 4.527 0.000 0.000 0.301 6068 F C 2.110 177.946 175.800 0.061 0.000 1.087 6068 F CA 1.133 59.135 58.000 0.002 0.000 1.274 6068 F CB -0.857 38.042 39.000 -0.167 0.000 1.009 6068 F HN 0.193 nan 8.300 nan 0.000 0.485 6069 D N -1.932 118.664 120.400 0.327 0.000 2.277 6069 D HA -0.063 4.577 4.640 0.000 0.000 0.208 6069 D C 0.722 176.977 176.300 -0.074 0.000 0.962 6069 D CA 1.124 55.234 54.000 0.182 0.000 0.865 6069 D CB -0.217 40.749 40.800 0.276 0.000 0.939 6069 D HN 0.341 nan 8.370 nan 0.000 0.510 6070 H N -0.680 118.332 119.070 -0.098 0.000 2.676 6070 H HA 0.263 4.819 4.556 0.000 0.000 0.238 6070 H C -0.747 174.518 175.328 -0.106 0.000 1.276 6070 H CA -0.599 55.340 56.048 -0.182 0.000 0.983 6070 H CB -0.422 29.062 29.762 -0.463 0.000 2.000 6070 H HN -0.132 nan 8.280 nan 0.000 0.584 6071 N N 1.745 120.462 118.700 0.028 0.000 2.614 6071 N HA -0.238 4.502 4.740 0.000 0.000 0.276 6071 N C -0.762 174.756 175.510 0.012 0.000 1.119 6071 N CA 0.828 53.884 53.050 0.010 0.000 0.742 6071 N CB -0.734 37.745 38.487 -0.013 0.000 0.900 6071 N HN 0.621 nan 8.380 nan 0.000 0.549 6072 D N -1.063 119.349 120.400 0.020 0.000 2.913 6072 D HA -0.287 4.353 4.640 0.000 0.000 0.228 6072 D C 0.225 176.497 176.300 -0.047 0.000 1.180 6072 D CA 1.597 55.539 54.000 -0.098 0.000 0.761 6072 D CB -0.169 40.532 40.800 -0.164 0.000 1.085 6072 D HN 0.620 nan 8.370 nan 0.000 0.420 6073 K N 0.976 121.425 120.400 0.083 0.000 2.469 6073 K HA -0.012 4.308 4.320 0.000 0.000 0.274 6073 K C 0.208 176.991 176.600 0.305 0.000 0.983 6073 K CA -0.013 56.366 56.287 0.153 0.000 0.974 6073 K CB 0.586 33.157 32.500 0.118 0.000 0.913 6073 K HN -0.026 nan 8.250 nan 0.000 0.493 6074 K N 3.837 124.373 120.400 0.226 0.000 2.322 6074 K HA 0.066 4.386 4.320 0.000 0.000 0.283 6074 K C -0.565 176.154 176.600 0.198 0.000 1.042 6074 K CA -0.572 55.840 56.287 0.208 0.000 0.958 6074 K CB 0.531 33.104 32.500 0.120 0.000 0.984 6074 K HN 0.362 nan 8.250 nan 0.000 0.473 6075 L N 4.587 125.855 121.223 0.074 0.000 2.407 6075 L HA 0.080 4.420 4.340 0.000 0.000 0.282 6075 L C -0.608 176.214 176.870 -0.079 0.000 1.110 6075 L CA 0.475 55.202 54.840 -0.188 0.000 0.863 6075 L CB 0.184 42.029 42.059 -0.356 0.000 1.207 6075 L HN 0.544 nan 8.230 nan 0.000 0.454 6076 S N 4.967 120.633 115.700 -0.056 0.000 2.593 6076 S HA -0.090 4.380 4.470 0.000 0.000 0.300 6076 S C 1.520 176.110 174.600 -0.018 0.000 1.267 6076 S CA -0.216 57.981 58.200 -0.006 0.000 1.065 6076 S CB 0.233 63.437 63.200 0.007 0.000 0.807 6076 S HN 0.713 nan 8.310 nan 0.000 0.499 6077 I N 3.338 123.930 120.570 0.037 0.000 2.151 6077 I HA -0.301 3.869 4.170 0.000 0.000 0.243 6077 I C 2.241 178.331 176.117 -0.045 0.000 1.080 6077 I CA 1.944 63.277 61.300 0.056 0.000 1.339 6077 I CB -0.592 37.509 38.000 0.168 0.000 1.039 6077 I HN 0.897 nan 8.210 nan 0.000 0.409 6078 N N -0.405 118.296 118.700 0.002 0.000 2.364 6078 N HA -0.152 4.588 4.740 0.000 0.000 0.183 6078 N C 1.517 176.929 175.510 -0.163 0.000 1.022 6078 N CA 1.710 54.706 53.050 -0.090 0.000 0.883 6078 N CB -0.531 38.015 38.487 0.098 0.000 0.965 6078 N HN 0.403 nan 8.380 nan 0.000 0.438 6079 S N 0.479 116.105 115.700 -0.123 0.000 2.439 6079 S HA 0.250 4.720 4.470 0.000 0.000 0.224 6079 S C 2.202 176.695 174.600 -0.177 0.000 1.029 6079 S CA 0.394 58.513 58.200 -0.136 0.000 0.946 6079 S CB -0.056 63.063 63.200 -0.135 0.000 0.797 6079 S HN 0.604 nan 8.310 nan 0.000 0.504 6080 A N 2.030 124.757 122.820 -0.155 0.000 1.898 6080 A HA 0.173 4.493 4.320 0.000 0.000 0.216 6080 A C 2.341 179.807 177.584 -0.197 0.000 1.181 6080 A CA 1.560 53.575 52.037 -0.038 0.000 0.620 6080 A CB -1.112 17.974 19.000 0.143 0.000 0.819 6080 A HN 0.481 nan 8.150 nan 0.000 0.442 6081 A N 0.134 122.732 122.820 -0.370 0.000 1.873 6081 A HA -0.246 4.074 4.320 0.000 0.000 0.218 6081 A C 2.202 179.384 177.584 -0.669 0.000 1.193 6081 A CA 2.379 54.106 52.037 -0.516 0.000 0.629 6081 A CB -0.519 17.848 19.000 -1.056 0.000 0.826 6081 A HN 0.490 nan 8.150 nan 0.000 0.447 6082 R N 0.362 120.496 120.500 -0.609 0.000 2.120 6082 R HA -0.106 4.234 4.340 0.000 0.000 0.234 6082 R C 2.020 178.251 176.300 -0.115 0.000 1.123 6082 R CA 1.868 57.746 56.100 -0.370 0.000 0.975 6082 R CB -0.687 29.568 30.300 -0.076 0.000 0.866 6082 R HN 0.744 nan 8.270 nan 0.000 0.446 6083 N N -0.198 118.436 118.700 -0.110 0.000 2.270 6083 N HA -0.108 4.632 4.740 0.000 0.000 0.181 6083 N C 1.610 177.099 175.510 -0.036 0.000 1.016 6083 N CA 1.190 54.229 53.050 -0.019 0.000 0.870 6083 N CB 0.056 38.534 38.487 -0.014 0.000 0.979 6083 N HN 0.284 nan 8.380 nan 0.000 0.431 6084 I N 1.056 121.507 120.570 -0.198 0.000 2.252 6084 I HA -0.261 3.909 4.170 0.000 0.000 0.245 6084 I C 2.701 178.631 176.117 -0.312 0.000 1.102 6084 I CA 0.836 61.900 61.300 -0.392 0.000 1.385 6084 I CB -0.364 37.103 38.000 -0.888 0.000 1.064 6084 I HN 0.310 nan 8.210 nan 0.000 0.414 6085 Q N 0.753 120.424 119.800 -0.216 0.000 2.077 6085 Q HA -0.305 4.035 4.340 0.000 0.000 0.206 6085 Q C 2.077 178.037 176.000 -0.067 0.000 0.989 6085 Q CA 2.183 57.952 55.803 -0.057 0.000 0.853 6085 Q CB -0.160 28.578 28.738 -0.000 0.000 0.907 6085 Q HN 0.556 nan 8.270 nan 0.000 0.418 6086 H N -0.297 118.768 119.070 -0.009 0.000 2.457 6086 H HA 0.000 4.556 4.556 0.000 0.000 0.294 6086 H C 1.844 177.204 175.328 0.053 0.000 1.064 6086 H CA 1.244 57.314 56.048 0.036 0.000 1.330 6086 H CB 0.149 29.916 29.762 0.008 0.000 1.395 6086 H HN 0.225 nan 8.280 nan 0.000 0.541 6087 L N -0.331 120.947 121.223 0.092 0.000 2.027 6087 L HA -0.164 4.176 4.340 0.000 0.000 0.206 6087 L C 1.957 178.901 176.870 0.124 0.000 1.074 6087 L CA 1.075 55.955 54.840 0.067 0.000 0.745 6087 L CB -0.266 41.771 42.059 -0.037 0.000 0.898 6087 L HN 0.307 nan 8.230 nan 0.000 0.433 6088 L N -1.883 119.383 121.223 0.071 0.000 2.044 6088 L HA -0.249 4.091 4.340 0.000 0.000 0.205 6088 L C 2.416 179.351 176.870 0.109 0.000 1.075 6088 L CA 1.196 56.120 54.840 0.140 0.000 0.747 6088 L CB -0.493 41.593 42.059 0.046 0.000 0.903 6088 L HN 0.198 nan 8.230 nan 0.000 0.435 6089 Y N 0.695 120.979 120.300 -0.026 0.000 2.571 6089 Y HA -0.063 4.487 4.550 0.000 0.000 0.294 6089 Y C 2.200 178.066 175.900 -0.056 0.000 1.141 6089 Y CA 0.760 58.813 58.100 -0.078 0.000 1.308 6089 Y CB -0.252 38.129 38.460 -0.131 0.000 1.002 6089 Y HN 0.080 nan 8.280 nan 0.000 0.551 6090 G N -0.079 108.799 108.800 0.131 0.000 2.440 6090 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 6090 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 6090 G C 1.320 176.223 174.900 0.006 0.000 1.154 6090 G CA 0.537 45.700 45.100 0.104 0.000 0.767 6090 G HN 0.275 nan 8.290 nan 0.000 0.552 6091 K N 0.404 120.769 120.400 -0.059 0.000 2.994 6091 K HA 0.179 4.499 4.320 0.000 0.000 0.231 6091 K C 1.832 178.306 176.600 -0.210 0.000 1.174 6091 K CA -0.447 55.748 56.287 -0.154 0.000 1.221 6091 K CB 0.501 32.753 32.500 -0.414 0.000 1.166 6091 K HN 0.088 nan 8.250 nan 0.000 0.453 6092 R N 0.243 120.503 120.500 -0.399 0.000 2.127 6092 R HA -0.112 4.228 4.340 0.000 0.000 0.238 6092 R C 0.409 176.324 176.300 -0.642 0.000 1.134 6092 R CA 1.716 57.342 56.100 -0.790 0.000 0.975 6092 R CB -0.084 29.265 30.300 -1.585 0.000 0.865 6092 R HN 0.085 nan 8.270 nan 0.000 0.447 6093 F N -0.735 119.177 119.950 -0.063 0.000 2.837 6093 F HA 0.358 4.885 4.527 0.000 0.000 0.298 6093 F C -0.308 175.580 175.800 0.147 0.000 1.161 6093 F CA -0.384 57.624 58.000 0.014 0.000 1.353 6093 F CB 0.472 39.470 39.000 -0.003 0.000 0.951 6093 F HN -0.083 nan 8.300 nan 0.000 0.508 6094 F N 0.890 120.865 119.950 0.042 0.000 3.098 6094 F HA 0.234 4.761 4.527 0.000 0.000 0.473 6094 F C -3.162 172.627 175.800 -0.019 0.000 0.900 6094 F CA -2.435 55.600 58.000 0.057 0.000 1.207 6094 F CB -0.488 38.529 39.000 0.028 0.000 2.914 6094 F HN -0.151 nan 8.300 nan 0.000 0.504 6095 P HA 0.157 nan 4.420 nan 0.000 0.272 6095 P C -0.800 176.490 177.300 -0.016 0.000 1.240 6095 P CA 0.252 63.345 63.100 -0.011 0.000 0.791 6095 P CB 0.476 32.229 31.700 0.088 0.000 0.978 6096 Y N -0.069 120.279 120.300 0.080 0.000 2.531 6096 Y HA 0.082 4.632 4.550 0.000 0.000 0.347 6096 Y C 0.707 176.741 175.900 0.223 0.000 1.024 6096 Y CA 0.279 58.449 58.100 0.117 0.000 1.306 6096 Y CB -0.654 37.811 38.460 0.007 0.000 1.149 6096 Y HN 0.326 nan 8.280 nan 0.000 0.527 6097 Y N 5.087 125.619 120.300 0.388 0.000 2.604 6097 Y HA 0.367 4.917 4.550 0.000 0.000 0.341 6097 Y C -0.192 175.857 175.900 0.250 0.000 1.249 6097 Y CA -0.712 57.551 58.100 0.271 0.000 1.926 6097 Y CB -0.465 38.136 38.460 0.235 0.000 1.941 6097 Y HN 0.314 nan 8.280 nan 0.000 0.426 6098 V N 1.036 120.990 119.914 0.066 0.000 2.733 6098 V HA 0.380 4.500 4.120 0.000 0.000 0.306 6098 V C -1.075 175.024 176.094 0.008 0.000 1.084 6098 V CA -1.172 61.154 62.300 0.043 0.000 0.905 6098 V CB 1.434 33.301 31.823 0.074 0.000 1.010 6098 V HN 0.511 nan 8.190 nan 0.000 0.424 6099 H N 2.683 121.720 119.070 -0.056 0.000 2.620 6099 H HA 0.696 5.252 4.556 0.000 0.000 0.313 6099 H C -0.018 175.334 175.328 0.038 0.000 1.075 6099 H CA 1.009 57.053 56.048 -0.008 0.000 1.397 6099 H CB 1.238 30.985 29.762 -0.026 0.000 1.446 6099 H HN 1.167 nan 8.280 nan 0.000 0.493 6100 T N 5.983 120.405 114.554 -0.219 0.000 2.881 6100 T HA 0.523 4.873 4.350 0.000 0.000 0.290 6100 T C -0.951 173.789 174.700 0.067 0.000 1.000 6100 T CA -0.784 61.287 62.100 -0.048 0.000 0.978 6100 T CB 0.352 69.155 68.868 -0.108 0.000 0.997 6100 T HN 0.559 nan 8.240 nan 0.000 0.443 6101 I N 6.040 126.666 120.570 0.094 0.000 2.545 6101 I HA 0.564 4.734 4.170 0.000 0.000 0.292 6101 I C -0.210 175.976 176.117 0.116 0.000 1.040 6101 I CA -1.310 60.072 61.300 0.136 0.000 1.068 6101 I CB 2.091 40.160 38.000 0.116 0.000 1.251 6101 I HN 0.704 nan 8.210 nan 0.000 0.424 6102 I N 2.452 123.119 120.570 0.163 0.000 2.740 6102 I HA 1.005 5.175 4.170 0.000 0.000 0.303 6102 I C -0.817 175.374 176.117 0.124 0.000 1.044 6102 I CA -0.573 60.788 61.300 0.102 0.000 1.064 6102 I CB 2.246 40.278 38.000 0.052 0.000 1.249 6102 I HN 0.612 nan 8.210 nan 0.000 0.433 6103 A N 2.811 125.687 122.820 0.094 0.000 2.549 6103 A HA 0.987 5.307 4.320 0.000 0.000 0.297 6103 A C -0.380 177.256 177.584 0.086 0.000 1.061 6103 A CA 0.070 52.157 52.037 0.084 0.000 0.690 6103 A CB 1.569 20.602 19.000 0.054 0.000 1.287 6103 A HN 1.400 nan 8.150 nan 0.000 0.402 6104 G N -0.378 108.471 108.800 0.080 0.000 2.512 6104 G HA2 0.511 4.471 3.960 0.000 0.000 0.186 6104 G HA3 0.511 4.471 3.960 0.000 0.000 0.186 6104 G C -1.850 173.090 174.900 0.066 0.000 1.189 6104 G CA -0.488 44.661 45.100 0.081 0.000 0.994 6104 G HN 0.931 nan 8.290 nan 0.000 0.506 6105 L N 2.091 123.359 121.223 0.074 0.000 2.362 6105 L HA 0.398 4.738 4.340 0.000 0.000 0.275 6105 L C -0.662 176.250 176.870 0.070 0.000 0.998 6105 L CA -1.075 53.801 54.840 0.060 0.000 0.820 6105 L CB 1.998 44.094 42.059 0.062 0.000 1.270 6105 L HN 0.803 nan 8.230 nan 0.000 0.415 6106 D N 1.233 121.669 120.400 0.059 0.000 2.360 6106 D HA -0.021 4.619 4.640 0.000 0.000 0.242 6106 D C 0.606 176.940 176.300 0.056 0.000 1.184 6106 D CA -0.338 53.705 54.000 0.071 0.000 0.930 6106 D CB 0.813 41.649 40.800 0.059 0.000 1.161 6106 D HN 0.535 nan 8.370 nan 0.000 0.447 6107 E N -0.795 119.440 120.200 0.058 0.000 2.396 6107 E HA -0.168 4.182 4.350 0.000 0.000 0.200 6107 E C 0.312 176.936 176.600 0.040 0.000 1.023 6107 E CA 0.898 57.328 56.400 0.050 0.000 0.857 6107 E CB 0.065 29.795 29.700 0.050 0.000 0.775 6107 E HN 0.391 nan 8.360 nan 0.000 0.525 6108 D N -1.428 118.992 120.400 0.033 0.000 2.349 6108 D HA 0.081 4.721 4.640 0.000 0.000 0.214 6108 D C 1.228 177.543 176.300 0.025 0.000 1.063 6108 D CA 0.737 54.752 54.000 0.024 0.000 0.847 6108 D CB 0.846 41.654 40.800 0.014 0.000 0.933 6108 D HN 0.268 nan 8.370 nan 0.000 0.513 6109 G N 0.440 109.259 108.800 0.031 0.000 2.241 6109 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 6109 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 6109 G C 0.518 175.438 174.900 0.034 0.000 0.998 6109 G CA -0.155 44.967 45.100 0.037 0.000 0.621 6109 G HN 0.145 nan 8.290 nan 0.000 0.519 6110 K N 1.406 121.813 120.400 0.012 0.000 2.219 6110 K HA 0.484 4.804 4.320 0.000 0.000 0.258 6110 K C 1.063 177.645 176.600 -0.030 0.000 1.008 6110 K CA 0.270 56.548 56.287 -0.015 0.000 0.928 6110 K CB 0.306 32.779 32.500 -0.045 0.000 0.983 6110 K HN 0.455 nan 8.250 nan 0.000 0.484 6111 G N -0.227 108.527 108.800 -0.077 0.000 2.467 6111 G HA2 0.470 4.430 3.960 0.000 0.000 0.257 6111 G HA3 0.470 4.430 3.960 0.000 0.000 0.257 6111 G C -0.847 173.979 174.900 -0.123 0.000 1.227 6111 G CA -0.314 44.721 45.100 -0.109 0.000 0.835 6111 G HN 0.577 nan 8.290 nan 0.000 0.556 6112 A N 0.683 123.447 122.820 -0.093 0.000 2.515 6112 A HA 0.770 5.090 4.320 0.000 0.000 0.298 6112 A C -1.129 176.379 177.584 -0.125 0.000 1.059 6112 A CA -0.516 51.438 52.037 -0.138 0.000 0.698 6112 A CB 2.211 21.165 19.000 -0.076 0.000 1.289 6112 A HN 1.127 nan 8.150 nan 0.000 0.404 6113 V N 1.647 121.415 119.914 -0.243 0.000 2.760 6113 V HA 0.521 4.641 4.120 0.000 0.000 0.309 6113 V C -1.615 174.287 176.094 -0.321 0.000 1.077 6113 V CA -0.392 61.812 62.300 -0.160 0.000 0.910 6113 V CB 1.818 33.578 31.823 -0.105 0.000 1.008 6113 V HN 0.834 nan 8.190 nan 0.000 0.424 6114 Y N 1.942 122.205 120.300 -0.062 0.000 2.409 6114 Y HA 0.672 5.222 4.550 0.000 0.000 0.343 6114 Y C 0.422 176.160 175.900 -0.270 0.000 0.973 6114 Y CA -0.368 57.629 58.100 -0.171 0.000 1.064 6114 Y CB 2.347 40.716 38.460 -0.153 0.000 1.207 6114 Y HN 0.620 nan 8.280 nan 0.000 0.452 6115 S N 2.762 118.294 115.700 -0.279 0.000 2.568 6115 S HA 0.824 5.294 4.470 0.000 0.000 0.302 6115 S C -1.456 172.751 174.600 -0.656 0.000 1.082 6115 S CA -0.401 57.609 58.200 -0.315 0.000 1.009 6115 S CB 0.625 63.765 63.200 -0.100 0.000 1.069 6115 S HN 0.417 nan 8.310 nan 0.000 0.500 6116 F N 1.140 120.933 119.950 -0.261 0.000 2.576 6116 F HA 0.452 4.979 4.527 0.000 0.000 0.313 6116 F C 0.520 176.180 175.800 -0.232 0.000 1.078 6116 F CA -0.906 56.988 58.000 -0.177 0.000 0.921 6116 F CB 1.432 40.339 39.000 -0.155 0.000 1.232 6116 F HN 0.498 nan 8.300 nan 0.000 0.459 6117 D N 2.026 122.495 120.400 0.114 0.000 2.346 6117 D HA 0.166 4.806 4.640 0.000 0.000 0.249 6117 D C -1.617 174.726 176.300 0.071 0.000 1.308 6117 D CA -1.241 52.810 54.000 0.085 0.000 0.987 6117 D CB 0.403 41.261 40.800 0.097 0.000 1.114 6117 D HN 0.184 nan 8.370 nan 0.000 0.529 6118 P HA 0.009 nan 4.420 nan 0.000 0.240 6118 P C 0.717 178.053 177.300 0.060 0.000 1.190 6118 P CA 0.513 63.642 63.100 0.047 0.000 0.781 6118 P CB 0.359 32.062 31.700 0.005 0.000 0.931 6119 V N -5.900 114.045 119.914 0.052 0.000 3.528 6119 V HA 0.622 4.742 4.120 0.000 0.000 0.294 6119 V C 1.245 177.433 176.094 0.157 0.000 1.404 6119 V CA 0.349 62.663 62.300 0.023 0.000 1.065 6119 V CB -0.546 31.241 31.823 -0.061 0.000 0.904 6119 V HN 0.204 nan 8.190 nan 0.000 0.435 6120 G N 0.452 109.362 108.800 0.182 0.000 2.148 6120 G HA2 -0.232 3.728 3.960 0.000 0.000 0.203 6120 G HA3 -0.232 3.728 3.960 0.000 0.000 0.203 6120 G C 0.220 175.295 174.900 0.292 0.000 0.993 6120 G CA 0.218 45.471 45.100 0.254 0.000 0.661 6120 G HN 0.960 nan 8.290 nan 0.000 0.518 6121 S N 0.538 116.365 115.700 0.211 0.000 2.525 6121 S HA 0.526 4.996 4.470 0.000 0.000 0.285 6121 S C 0.134 174.832 174.600 0.164 0.000 1.283 6121 S CA 0.340 58.627 58.200 0.144 0.000 1.072 6121 S CB -0.029 63.214 63.200 0.071 0.000 0.867 6121 S HN 1.529 nan 8.310 nan 0.000 0.492 6122 Y N 2.043 122.309 120.300 -0.056 0.000 2.462 6122 Y HA 0.871 5.421 4.550 0.000 0.000 0.346 6122 Y C -0.594 175.213 175.900 -0.156 0.000 0.976 6122 Y CA -1.192 56.750 58.100 -0.263 0.000 1.044 6122 Y CB 1.193 39.417 38.460 -0.393 0.000 1.230 6122 Y HN 0.541 nan 8.280 nan 0.000 0.455 6123 E N 1.847 121.941 120.200 -0.176 0.000 2.393 6123 E HA 0.454 4.804 4.350 0.000 0.000 0.273 6123 E C -1.567 174.975 176.600 -0.097 0.000 0.918 6123 E CA -1.161 55.136 56.400 -0.172 0.000 0.773 6123 E CB 2.014 31.621 29.700 -0.155 0.000 1.275 6123 E HN 0.733 nan 8.360 nan 0.000 0.451 6124 R N 1.644 122.045 120.500 -0.165 0.000 2.349 6124 R HA 0.406 4.746 4.340 0.000 0.000 0.299 6124 R C -0.780 175.339 176.300 -0.302 0.000 1.027 6124 R CA -0.170 55.670 56.100 -0.433 0.000 0.958 6124 R CB 0.894 30.860 30.300 -0.557 0.000 1.047 6124 R HN 0.524 nan 8.270 nan 0.000 0.468 6125 E N 1.271 121.287 120.200 -0.306 0.000 2.312 6125 E HA 0.043 4.393 4.350 0.000 0.000 0.267 6125 E C -0.143 176.346 176.600 -0.186 0.000 0.894 6125 E CA -0.527 55.757 56.400 -0.193 0.000 0.773 6125 E CB 2.163 31.784 29.700 -0.131 0.000 1.241 6125 E HN 0.646 nan 8.360 nan 0.000 0.432 6126 Q N 1.272 120.987 119.800 -0.142 0.000 2.089 6126 Q HA 0.053 4.393 4.340 0.000 0.000 0.195 6126 Q C -0.295 175.649 176.000 -0.093 0.000 0.963 6126 Q CA 1.182 56.908 55.803 -0.129 0.000 0.834 6126 Q CB 0.298 28.968 28.738 -0.114 0.000 0.906 6126 Q HN 0.539 nan 8.270 nan 0.000 0.452 6127 C N -0.195 119.061 119.300 -0.073 0.000 2.947 6127 C HA 0.845 5.305 4.460 0.000 0.000 0.401 6127 C C -1.202 173.769 174.990 -0.031 0.000 1.019 6127 C CA -1.212 57.779 59.018 -0.044 0.000 1.230 6127 C CB 0.961 28.681 27.740 -0.033 0.000 1.644 6127 C HN 0.506 nan 8.230 nan 0.000 0.523 6128 R N 2.533 123.029 120.500 -0.006 0.000 2.686 6128 R HA 0.870 5.210 4.340 0.000 0.000 0.283 6128 R C -0.532 175.787 176.300 0.031 0.000 0.978 6128 R CA 0.246 56.353 56.100 0.012 0.000 0.897 6128 R CB 1.883 32.210 30.300 0.046 0.000 1.192 6128 R HN 1.443 nan 8.270 nan 0.000 0.457 6129 A N 1.704 124.520 122.820 -0.007 0.000 2.337 6129 A HA 0.850 5.170 4.320 0.000 0.000 0.331 6129 A C -0.578 176.941 177.584 -0.109 0.000 1.137 6129 A CA -0.335 51.688 52.037 -0.024 0.000 0.807 6129 A CB 1.613 20.576 19.000 -0.062 0.000 1.250 6129 A HN 0.813 nan 8.150 nan 0.000 0.468 6130 G N -1.085 107.655 108.800 -0.100 0.000 2.642 6130 G HA2 0.827 4.787 3.960 0.000 0.000 0.293 6130 G HA3 0.827 4.787 3.960 0.000 0.000 0.293 6130 G C -0.003 174.820 174.900 -0.129 0.000 1.341 6130 G CA -0.013 44.914 45.100 -0.288 0.000 0.916 6130 G HN 2.308 nan 8.290 nan 0.000 0.474 6131 G N -1.024 107.688 108.800 -0.146 0.000 2.549 6131 G HA2 0.381 4.341 3.960 0.000 0.000 0.404 6131 G HA3 0.381 4.341 3.960 0.000 0.000 0.404 6131 G C 1.044 175.881 174.900 -0.106 0.000 1.292 6131 G CA 0.568 45.621 45.100 -0.079 0.000 0.935 6131 G HN 1.882 nan 8.290 nan 0.000 0.512 6132 A N -0.600 122.147 122.820 -0.121 0.000 1.855 6132 A HA 0.456 4.776 4.320 0.000 0.000 0.215 6132 A C 2.651 180.135 177.584 -0.166 0.000 1.191 6132 A CA 3.059 55.023 52.037 -0.121 0.000 0.613 6132 A CB -0.813 18.071 19.000 -0.193 0.000 0.829 6132 A HN 2.454 nan 8.150 nan 0.000 0.442 6133 A N -0.499 122.110 122.820 -0.352 0.000 2.291 6133 A HA 0.533 4.853 4.320 0.000 0.000 0.220 6133 A C 1.915 179.401 177.584 -0.164 0.000 1.262 6133 A CA 0.999 52.887 52.037 -0.248 0.000 0.867 6133 A CB -0.862 17.932 19.000 -0.344 0.000 0.888 6133 A HN 0.893 nan 8.150 nan 0.000 0.487 6134 A N 0.627 123.364 122.820 -0.139 0.000 1.917 6134 A HA -0.169 4.151 4.320 0.000 0.000 0.219 6134 A C 2.424 179.955 177.584 -0.088 0.000 1.182 6134 A CA 2.223 54.184 52.037 -0.127 0.000 0.633 6134 A CB -0.835 18.078 19.000 -0.145 0.000 0.819 6134 A HN 0.919 nan 8.150 nan 0.000 0.448 6135 S N -0.745 114.922 115.700 -0.055 0.000 2.453 6135 S HA 0.015 4.485 4.470 0.000 0.000 0.231 6135 S C 1.314 175.902 174.600 -0.019 0.000 1.005 6135 S CA 1.220 59.403 58.200 -0.028 0.000 0.949 6135 S CB -0.285 62.909 63.200 -0.009 0.000 0.774 6135 S HN 0.271 nan 8.310 nan 0.000 0.510 6136 L N 0.387 121.591 121.223 -0.032 0.000 2.509 6136 L HA 0.409 4.749 4.340 0.000 0.000 0.222 6136 L C 1.861 178.701 176.870 -0.050 0.000 1.123 6136 L CA 0.754 55.572 54.840 -0.037 0.000 0.856 6136 L CB -0.506 41.528 42.059 -0.042 0.000 0.985 6136 L HN 0.324 nan 8.230 nan 0.000 0.456 6137 I N -2.177 118.355 120.570 -0.063 0.000 2.681 6137 I HA -0.086 4.084 4.170 0.000 0.000 0.247 6137 I C 2.120 178.271 176.117 0.057 0.000 1.091 6137 I CA 0.234 61.518 61.300 -0.027 0.000 1.442 6137 I CB -0.137 37.779 38.000 -0.139 0.000 1.219 6137 I HN 0.082 nan 8.210 nan 0.000 0.451 6138 M N 0.812 120.413 119.600 0.002 0.000 2.089 6138 M HA -0.149 4.331 4.480 0.000 0.000 0.257 6138 M C -0.313 175.997 176.300 0.015 0.000 1.071 6138 M CA 2.303 57.602 55.300 -0.002 0.000 1.096 6138 M CB -2.556 30.028 32.600 -0.026 0.000 1.330 6138 M HN 0.041 nan 8.290 nan 0.000 0.403 6139 P HA -0.178 nan 4.420 nan 0.000 0.215 6139 P C 1.737 179.080 177.300 0.071 0.000 1.157 6139 P CA 1.182 64.308 63.100 0.044 0.000 0.868 6139 P CB -0.420 31.313 31.700 0.054 0.000 0.788 6140 F N 0.072 120.004 119.950 -0.030 0.000 2.126 6140 F HA -0.191 4.336 4.527 0.000 0.000 0.299 6140 F C 1.853 177.636 175.800 -0.028 0.000 1.096 6140 F CA 1.406 59.392 58.000 -0.023 0.000 1.255 6140 F CB -1.050 37.932 39.000 -0.030 0.000 0.997 6140 F HN -0.253 nan 8.300 nan 0.000 0.479 6141 L N 0.824 121.948 121.223 -0.165 0.000 2.017 6141 L HA -0.213 4.127 4.340 0.000 0.000 0.208 6141 L C 2.157 178.878 176.870 -0.248 0.000 1.073 6141 L CA 1.837 56.515 54.840 -0.270 0.000 0.745 6141 L CB -1.345 40.658 42.059 -0.094 0.000 0.894 6141 L HN 0.090 nan 8.230 nan 0.000 0.432 6142 D N -0.859 119.454 120.400 -0.144 0.000 2.203 6142 D HA -0.250 4.390 4.640 0.000 0.000 0.199 6142 D C 1.982 178.200 176.300 -0.138 0.000 0.997 6142 D CA 1.282 55.210 54.000 -0.120 0.000 0.863 6142 D CB -0.172 40.591 40.800 -0.062 0.000 0.928 6142 D HN 0.487 nan 8.370 nan 0.000 0.458 6143 N N -0.363 118.242 118.700 -0.158 0.000 2.349 6143 N HA -0.076 4.664 4.740 0.000 0.000 0.180 6143 N C 1.242 176.677 175.510 -0.125 0.000 1.024 6143 N CA 0.397 53.387 53.050 -0.099 0.000 0.869 6143 N CB 0.314 38.771 38.487 -0.050 0.000 1.022 6143 N HN 0.021 nan 8.380 nan 0.000 0.433 6144 Q N 0.287 119.889 119.800 -0.331 0.000 2.392 6144 Q HA 0.126 4.466 4.340 0.000 0.000 0.203 6144 Q C 1.449 177.208 176.000 -0.402 0.000 0.917 6144 Q CA 0.200 55.829 55.803 -0.290 0.000 0.939 6144 Q CB 1.198 29.626 28.738 -0.517 0.000 1.063 6144 Q HN 0.274 nan 8.270 nan 0.000 0.516 6145 V N 0.575 120.183 119.914 -0.509 0.000 3.013 6145 V HA 0.041 4.161 4.120 0.000 0.000 0.238 6145 V C 1.006 176.655 176.094 -0.741 0.000 1.161 6145 V CA 0.648 62.604 62.300 -0.573 0.000 1.170 6145 V CB 0.256 31.885 31.823 -0.324 0.000 0.917 6145 V HN 0.228 nan 8.190 nan 0.000 0.478 6146 N N 0.175 118.568 118.700 -0.512 0.000 2.230 6146 N HA 0.125 4.865 4.740 0.000 0.000 0.202 6146 N C -0.099 175.248 175.510 -0.272 0.000 1.119 6146 N CA -0.078 52.754 53.050 -0.364 0.000 0.851 6146 N CB 0.203 38.584 38.487 -0.176 0.000 0.990 6146 N HN 0.346 nan 8.380 nan 0.000 0.497 6147 F N 0.694 120.600 119.950 -0.074 0.000 2.783 6147 F HA -0.275 4.252 4.527 0.000 0.000 0.222 6147 F C 0.715 176.467 175.800 -0.080 0.000 1.028 6147 F CA 0.332 58.286 58.000 -0.077 0.000 0.862 6147 F CB -1.837 37.122 39.000 -0.069 0.000 0.744 6147 F HN -0.160 nan 8.300 nan 0.000 0.850 6148 K N 0.484 120.911 120.400 0.045 0.000 2.202 6148 K HA 0.208 4.528 4.320 0.000 0.000 0.264 6148 K C 1.150 177.775 176.600 0.043 0.000 1.010 6148 K CA -0.172 56.123 56.287 0.014 0.000 0.940 6148 K CB 0.462 32.956 32.500 -0.009 0.000 0.983 6148 K HN 0.457 nan 8.250 nan 0.000 0.475 6149 N N 0.323 119.052 118.700 0.048 0.000 2.690 6149 N HA -0.250 4.490 4.740 0.000 0.000 0.249 6149 N C -0.737 174.889 175.510 0.194 0.000 1.125 6149 N CA 0.895 54.031 53.050 0.143 0.000 0.794 6149 N CB -0.411 38.145 38.487 0.115 0.000 1.152 6149 N HN 0.483 nan 8.380 nan 0.000 0.571 6150 Q N 0.052 119.903 119.800 0.085 0.000 2.307 6150 Q HA 0.402 4.742 4.340 0.000 0.000 0.262 6150 Q C -1.016 174.972 176.000 -0.020 0.000 0.961 6150 Q CA -0.257 55.603 55.803 0.095 0.000 0.882 6150 Q CB 1.060 29.833 28.738 0.058 0.000 1.264 6150 Q HN 0.194 nan 8.270 nan 0.000 0.446 6151 Y N 0.215 120.511 120.300 -0.007 0.000 2.621 6151 Y HA 0.209 4.759 4.550 0.000 0.000 0.334 6151 Y C 0.366 176.248 175.900 -0.031 0.000 1.074 6151 Y CA -1.007 57.085 58.100 -0.013 0.000 1.149 6151 Y CB 1.212 39.668 38.460 -0.006 0.000 1.302 6151 Y HN 0.414 nan 8.280 nan 0.000 0.501 6152 E N 2.816 123.090 120.200 0.122 0.000 2.290 6152 E HA 0.190 4.540 4.350 0.000 0.000 0.277 6152 E C -2.455 174.182 176.600 0.062 0.000 1.035 6152 E CA -1.815 54.614 56.400 0.050 0.000 0.873 6152 E CB 0.537 30.253 29.700 0.026 0.000 1.029 6152 E HN 0.248 nan 8.360 nan 0.000 0.419 6153 P HA -0.030 nan 4.420 nan 0.000 0.264 6153 P C 0.540 177.849 177.300 0.016 0.000 1.183 6153 P CA 0.588 63.700 63.100 0.020 0.000 0.763 6153 P CB 0.424 32.126 31.700 0.003 0.000 0.807 6154 G N 2.374 111.180 108.800 0.010 0.000 2.283 6154 G HA2 -0.268 3.692 3.960 0.000 0.000 0.280 6154 G HA3 -0.268 3.692 3.960 0.000 0.000 0.280 6154 G C 0.554 175.460 174.900 0.010 0.000 1.029 6154 G CA 0.679 45.781 45.100 0.004 0.000 0.840 6154 G HN 0.731 nan 8.290 nan 0.000 0.505 6155 T N -2.989 111.578 114.554 0.022 0.000 3.174 6155 T HA 0.335 4.685 4.350 0.000 0.000 0.269 6155 T C 1.195 175.908 174.700 0.021 0.000 1.017 6155 T CA 0.820 62.938 62.100 0.030 0.000 0.899 6155 T CB 0.025 68.926 68.868 0.054 0.000 1.077 6155 T HN 1.099 nan 8.240 nan 0.000 0.552 6156 N N 1.491 120.188 118.700 -0.005 0.000 1.910 6156 N HA -0.240 4.500 4.740 0.000 0.000 0.214 6156 N C 0.858 176.312 175.510 -0.093 0.000 1.113 6156 N CA 2.114 55.142 53.050 -0.037 0.000 3.595 6156 N CB -1.472 37.001 38.487 -0.024 0.000 0.733 6156 N HN 1.262 nan 8.380 nan 0.000 0.352 6157 G N 0.032 108.790 108.800 -0.071 0.000 2.370 6157 G HA2 0.036 3.996 3.960 0.000 0.000 0.225 6157 G HA3 0.036 3.996 3.960 0.000 0.000 0.225 6157 G C 0.319 175.242 174.900 0.038 0.000 1.109 6157 G CA 0.404 45.355 45.100 -0.248 0.000 0.871 6157 G HN 0.369 nan 8.290 nan 0.000 0.498 6158 K N -0.478 120.034 120.400 0.187 0.000 2.474 6158 K HA 0.334 4.654 4.320 0.000 0.000 0.204 6158 K C 0.674 177.382 176.600 0.179 0.000 1.220 6158 K CA 0.212 56.604 56.287 0.175 0.000 0.966 6158 K CB 1.508 34.056 32.500 0.080 0.000 1.049 6158 K HN 0.321 nan 8.250 nan 0.000 0.554 6159 V N 4.234 124.259 119.914 0.185 0.000 2.328 6159 V HA 0.201 4.321 4.120 0.000 0.000 0.278 6159 V C 0.100 176.193 176.094 -0.003 0.000 1.021 6159 V CA -0.916 61.430 62.300 0.076 0.000 0.838 6159 V CB 1.234 33.086 31.823 0.050 0.000 0.999 6159 V HN 0.054 nan 8.190 nan 0.000 0.447 6160 K N 3.561 123.865 120.400 -0.160 0.000 2.382 6160 K HA 0.169 4.489 4.320 0.000 0.000 0.275 6160 K C 0.239 176.728 176.600 -0.185 0.000 1.009 6160 K CA -0.396 55.675 56.287 -0.361 0.000 0.970 6160 K CB 1.018 33.334 32.500 -0.305 0.000 0.934 6160 K HN 0.527 nan 8.250 nan 0.000 0.479 6161 K N 4.303 124.591 120.400 -0.186 0.000 2.447 6161 K HA 0.041 4.361 4.320 0.000 0.000 0.281 6161 K C -2.038 174.512 176.600 -0.083 0.000 1.031 6161 K CA -1.242 54.963 56.287 -0.136 0.000 1.019 6161 K CB 0.329 32.716 32.500 -0.188 0.000 0.918 6161 K HN 0.296 nan 8.250 nan 0.000 0.476 6162 P HA -0.035 nan 4.420 nan 0.000 0.267 6162 P C -0.463 176.898 177.300 0.102 0.000 1.209 6162 P CA 0.035 63.134 63.100 -0.000 0.000 0.763 6162 P CB 0.489 32.177 31.700 -0.021 0.000 0.816 6163 L N 3.692 125.032 121.223 0.195 0.000 2.534 6163 L HA 0.068 4.408 4.340 0.000 0.000 0.271 6163 L C 1.237 178.285 176.870 0.296 0.000 1.178 6163 L CA 0.631 55.670 54.840 0.333 0.000 0.907 6163 L CB -0.085 42.082 42.059 0.179 0.000 1.164 6163 L HN 0.380 nan 8.230 nan 0.000 0.482 6164 K N 3.176 123.840 120.400 0.440 0.000 2.139 6164 K HA 0.358 4.678 4.320 0.000 0.000 0.243 6164 K C -1.395 175.401 176.600 0.325 0.000 0.983 6164 K CA -0.673 55.792 56.287 0.296 0.000 0.890 6164 K CB 1.156 33.803 32.500 0.245 0.000 1.090 6164 K HN 0.337 nan 8.250 nan 0.000 0.445 6165 Y N 1.428 121.784 120.300 0.095 0.000 2.409 6165 Y HA 0.364 4.914 4.550 0.000 0.000 0.339 6165 Y C -0.811 175.151 175.900 0.104 0.000 1.033 6165 Y CA -0.923 57.226 58.100 0.081 0.000 1.094 6165 Y CB 1.282 39.778 38.460 0.059 0.000 1.210 6165 Y HN 0.338 nan 8.280 nan 0.000 0.456 6166 L N 3.521 124.456 121.223 -0.480 0.000 2.317 6166 L HA 0.515 4.855 4.340 0.000 0.000 0.281 6166 L C 0.039 176.899 176.870 -0.018 0.000 1.024 6166 L CA -0.941 53.753 54.840 -0.244 0.000 0.810 6166 L CB 1.580 43.409 42.059 -0.383 0.000 1.240 6166 L HN 0.576 nan 8.230 nan 0.000 0.427 6167 S N 0.710 116.386 115.700 -0.040 0.000 2.568 6167 S HA 0.024 4.494 4.470 0.000 0.000 0.282 6167 S C 1.191 175.661 174.600 -0.216 0.000 1.338 6167 S CA -0.496 57.634 58.200 -0.116 0.000 1.045 6167 S CB 1.429 64.571 63.200 -0.096 0.000 0.873 6167 S HN 0.546 nan 8.310 nan 0.000 0.516 6168 V N 1.850 121.391 119.914 -0.622 0.000 2.546 6168 V HA -0.224 3.896 4.120 0.000 0.000 0.254 6168 V C 2.100 178.083 176.094 -0.185 0.000 1.076 6168 V CA 2.417 64.314 62.300 -0.672 0.000 1.087 6168 V CB -0.980 30.325 31.823 -0.864 0.000 0.674 6168 V HN 0.949 nan 8.190 nan 0.000 0.470 6169 E N -0.358 119.754 120.200 -0.146 0.000 2.208 6169 E HA -0.165 4.185 4.350 0.000 0.000 0.193 6169 E C 2.120 178.701 176.600 -0.031 0.000 0.988 6169 E CA 1.273 57.636 56.400 -0.062 0.000 0.828 6169 E CB -0.057 29.610 29.700 -0.056 0.000 0.763 6169 E HN 0.715 nan 8.360 nan 0.000 0.478 6170 E N -0.367 119.813 120.200 -0.033 0.000 2.051 6170 E HA -0.087 4.263 4.350 0.000 0.000 0.189 6170 E C 1.908 178.514 176.600 0.010 0.000 0.979 6170 E CA 0.635 57.026 56.400 -0.014 0.000 0.803 6170 E CB 0.132 29.815 29.700 -0.028 0.000 0.761 6170 E HN -0.000 nan 8.360 nan 0.000 0.451 6171 V N 1.032 120.969 119.914 0.039 0.000 2.282 6171 V HA -0.304 3.816 4.120 0.000 0.000 0.249 6171 V C 2.243 178.394 176.094 0.095 0.000 1.057 6171 V CA 1.802 64.153 62.300 0.086 0.000 1.032 6171 V CB -0.426 31.527 31.823 0.216 0.000 0.645 6171 V HN 0.342 nan 8.190 nan 0.000 0.447 6172 I N -0.675 119.946 120.570 0.085 0.000 2.264 6172 I HA -0.287 3.883 4.170 0.000 0.000 0.248 6172 I C 2.557 178.689 176.117 0.024 0.000 1.111 6172 I CA 1.625 62.969 61.300 0.073 0.000 1.382 6172 I CB -0.306 37.735 38.000 0.069 0.000 1.060 6172 I HN 0.314 nan 8.210 nan 0.000 0.418 6173 K N 0.483 120.889 120.400 0.010 0.000 1.991 6173 K HA -0.184 4.136 4.320 0.000 0.000 0.212 6173 K C 2.050 178.688 176.600 0.063 0.000 1.049 6173 K CA 1.425 57.713 56.287 0.002 0.000 0.932 6173 K CB -0.356 32.148 32.500 0.006 0.000 0.717 6173 K HN 0.293 nan 8.250 nan 0.000 0.441 6174 L N 0.873 122.156 121.223 0.100 0.000 2.083 6174 L HA -0.188 4.152 4.340 0.000 0.000 0.209 6174 L C 2.441 179.457 176.870 0.243 0.000 1.083 6174 L CA 0.781 55.736 54.840 0.191 0.000 0.752 6174 L CB -0.554 41.567 42.059 0.103 0.000 0.899 6174 L HN 0.020 nan 8.230 nan 0.000 0.433 6175 V N 0.791 120.821 119.914 0.195 0.000 2.261 6175 V HA -0.268 3.852 4.120 0.000 0.000 0.246 6175 V C 2.456 178.740 176.094 0.318 0.000 1.047 6175 V CA 2.214 64.681 62.300 0.278 0.000 1.015 6175 V CB -0.660 31.298 31.823 0.224 0.000 0.642 6175 V HN 0.607 nan 8.190 nan 0.000 0.446 6176 R N -0.194 120.392 120.500 0.142 0.000 2.323 6176 R HA -0.012 4.328 4.340 0.000 0.000 0.198 6176 R C 0.893 177.234 176.300 0.069 0.000 0.988 6176 R CA 1.142 57.286 56.100 0.073 0.000 1.041 6176 R CB -0.277 29.936 30.300 -0.145 0.000 0.926 6176 R HN 0.393 nan 8.270 nan 0.000 0.476 6177 D N 0.204 120.657 120.400 0.088 0.000 2.422 6177 D HA 0.097 4.737 4.640 0.000 0.000 0.218 6177 D C 1.395 177.632 176.300 -0.104 0.000 1.047 6177 D CA 0.437 54.436 54.000 -0.002 0.000 0.885 6177 D CB 0.408 41.216 40.800 0.013 0.000 1.035 6177 D HN 0.068 nan 8.370 nan 0.000 0.502 6178 S N 0.219 115.925 115.700 0.010 0.000 2.368 6178 S HA -0.100 4.370 4.470 0.000 0.000 0.225 6178 S C 1.682 176.176 174.600 -0.176 0.000 1.030 6178 S CA 0.856 58.987 58.200 -0.116 0.000 0.999 6178 S CB -0.205 63.029 63.200 0.057 0.000 0.844 6178 S HN 0.192 nan 8.310 nan 0.000 0.459 6179 F N 2.100 122.029 119.950 -0.035 0.000 2.149 6179 F HA -0.071 4.456 4.527 0.000 0.000 0.294 6179 F C 2.962 178.739 175.800 -0.038 0.000 1.095 6179 F CA 1.391 59.377 58.000 -0.023 0.000 1.276 6179 F CB -1.345 37.661 39.000 0.010 0.000 1.023 6179 F HN 0.205 nan 8.300 nan 0.000 0.480 6180 T N -2.591 112.035 114.554 0.121 0.000 2.803 6180 T HA -0.191 4.159 4.350 0.000 0.000 0.269 6180 T C 2.108 176.798 174.700 -0.017 0.000 1.052 6180 T CA 1.496 63.619 62.100 0.039 0.000 1.136 6180 T CB -0.794 68.077 68.868 0.004 0.000 0.864 6180 T HN 0.119 nan 8.240 nan 0.000 0.467 6181 S N 2.007 117.658 115.700 -0.082 0.000 2.349 6181 S HA 0.069 4.539 4.470 0.000 0.000 0.216 6181 S C 2.726 177.276 174.600 -0.084 0.000 1.033 6181 S CA 1.054 59.179 58.200 -0.126 0.000 1.021 6181 S CB -1.106 61.942 63.200 -0.253 0.000 0.968 6181 S HN 0.731 nan 8.310 nan 0.000 0.426 6182 A N 1.182 123.936 122.820 -0.110 0.000 1.940 6182 A HA -0.226 4.094 4.320 0.000 0.000 0.221 6182 A C 2.264 179.855 177.584 0.011 0.000 1.190 6182 A CA 2.460 54.454 52.037 -0.072 0.000 0.647 6182 A CB -1.673 17.223 19.000 -0.173 0.000 0.821 6182 A HN 0.536 nan 8.150 nan 0.000 0.457 6183 T N -0.150 114.423 114.554 0.030 0.000 2.778 6183 T HA -0.141 4.209 4.350 0.000 0.000 0.269 6183 T C 1.732 176.467 174.700 0.058 0.000 1.050 6183 T CA 1.540 63.681 62.100 0.068 0.000 1.137 6183 T CB -0.226 68.690 68.868 0.079 0.000 0.860 6183 T HN 0.559 nan 8.240 nan 0.000 0.468 6184 E N 0.824 121.042 120.200 0.030 0.000 2.072 6184 E HA 0.014 4.364 4.350 0.000 0.000 0.190 6184 E C 2.171 178.785 176.600 0.022 0.000 0.982 6184 E CA 0.771 57.182 56.400 0.019 0.000 0.803 6184 E CB 0.025 29.723 29.700 -0.003 0.000 0.755 6184 E HN 0.322 nan 8.360 nan 0.000 0.453 6185 R N -0.140 120.374 120.500 0.024 0.000 2.397 6185 R HA 0.171 4.511 4.340 0.000 0.000 0.241 6185 R C 0.139 176.461 176.300 0.037 0.000 0.914 6185 R CA 0.028 56.139 56.100 0.017 0.000 1.071 6185 R CB 0.102 30.401 30.300 -0.001 0.000 1.116 6185 R HN 0.193 nan 8.270 nan 0.000 0.524 6186 H N 0.186 119.250 119.070 -0.010 0.000 2.529 6186 H HA 0.233 4.789 4.556 0.000 0.000 0.348 6186 H C 1.370 176.706 175.328 0.013 0.000 1.079 6186 H CA -0.391 55.655 56.048 -0.004 0.000 1.198 6186 H CB 1.243 30.994 29.762 -0.018 0.000 1.521 6186 H HN -0.050 nan 8.280 nan 0.000 0.514 6187 I N 0.786 121.430 120.570 0.124 0.000 3.419 6187 I HA 0.068 4.239 4.170 0.000 0.000 0.286 6187 I C 1.323 177.547 176.117 0.179 0.000 1.268 6187 I CA 0.538 61.913 61.300 0.123 0.000 1.414 6187 I CB 0.116 38.159 38.000 0.072 0.000 1.074 6187 I HN 0.518 nan 8.210 nan 0.000 0.457 6188 Q N 0.881 120.898 119.800 0.362 0.000 2.392 6188 Q HA 0.270 4.610 4.340 0.000 0.000 0.203 6188 Q C -0.126 175.930 176.000 0.093 0.000 0.917 6188 Q CA 0.040 55.970 55.803 0.211 0.000 0.939 6188 Q CB 0.985 29.854 28.738 0.220 0.000 1.063 6188 Q HN 0.376 nan 8.270 nan 0.000 0.516 6189 V N 0.019 119.996 119.914 0.105 0.000 2.459 6189 V HA 0.814 4.934 4.120 0.000 0.000 0.295 6189 V C 0.317 176.475 176.094 0.107 0.000 1.029 6189 V CA -0.075 62.267 62.300 0.072 0.000 0.874 6189 V CB 1.418 33.256 31.823 0.024 0.000 0.985 6189 V HN 0.350 nan 8.190 nan 0.000 0.438 6190 G N 2.639 111.508 108.800 0.116 0.000 2.323 6190 G HA2 0.468 4.428 3.960 0.000 0.000 0.291 6190 G HA3 0.468 4.428 3.960 0.000 0.000 0.291 6190 G C -0.734 174.236 174.900 0.117 0.000 1.278 6190 G CA 0.371 45.539 45.100 0.114 0.000 0.860 6190 G HN 0.513 nan 8.290 nan 0.000 0.504 6191 D N -1.646 118.821 120.400 0.113 0.000 3.328 6191 D HA -0.115 4.525 4.640 0.000 0.000 0.215 6191 D C 0.795 177.204 176.300 0.182 0.000 1.170 6191 D CA 3.170 57.250 54.000 0.133 0.000 2.173 6191 D CB -1.453 39.426 40.800 0.132 0.000 1.262 6191 D HN 1.909 nan 8.370 nan 0.000 0.512 6192 G N -0.191 108.736 108.800 0.212 0.000 2.703 6192 G HA2 0.551 4.511 3.960 0.000 0.000 0.294 6192 G HA3 0.551 4.511 3.960 0.000 0.000 0.294 6192 G C -2.117 172.932 174.900 0.250 0.000 1.451 6192 G CA -0.354 44.957 45.100 0.352 0.000 0.869 6192 G HN 0.272 nan 8.290 nan 0.000 0.516 6193 L N 0.456 121.815 121.223 0.226 0.000 2.372 6193 L HA 0.757 5.098 4.340 0.000 0.000 0.274 6193 L C -0.437 176.552 176.870 0.199 0.000 0.988 6193 L CA -0.575 54.283 54.840 0.031 0.000 0.833 6193 L CB 1.880 43.859 42.059 -0.133 0.000 1.236 6193 L HN 0.602 nan 8.230 nan 0.000 0.410 6194 E N 5.140 125.393 120.200 0.088 0.000 2.176 6194 E HA 0.585 4.935 4.350 0.000 0.000 0.267 6194 E C -1.401 175.189 176.600 -0.018 0.000 0.893 6194 E CA -0.584 55.874 56.400 0.096 0.000 0.761 6194 E CB 1.354 31.057 29.700 0.004 0.000 1.133 6194 E HN 0.648 nan 8.360 nan 0.000 0.409 6195 I N 4.254 124.831 120.570 0.012 0.000 2.465 6195 I HA 0.289 4.459 4.170 0.000 0.000 0.291 6195 I C -0.973 175.158 176.117 0.024 0.000 1.014 6195 I CA -1.088 60.224 61.300 0.019 0.000 1.093 6195 I CB 1.303 39.346 38.000 0.071 0.000 1.267 6195 I HN 0.322 nan 8.210 nan 0.000 0.431 6196 L N 6.948 128.187 121.223 0.027 0.000 2.309 6196 L HA 0.555 4.895 4.340 0.000 0.000 0.282 6196 L C -0.315 176.599 176.870 0.073 0.000 1.036 6196 L CA -0.248 54.616 54.840 0.039 0.000 0.806 6196 L CB 1.313 43.389 42.059 0.030 0.000 1.220 6196 L HN 0.390 nan 8.230 nan 0.000 0.429 6197 I N 3.761 124.380 120.570 0.082 0.000 2.447 6197 I HA 0.405 4.575 4.170 0.000 0.000 0.287 6197 I C -0.827 175.359 176.117 0.115 0.000 1.023 6197 I CA -0.846 60.525 61.300 0.118 0.000 1.083 6197 I CB 1.974 40.042 38.000 0.114 0.000 1.245 6197 I HN 0.098 nan 8.210 nan 0.000 0.434 6198 V N 5.286 125.283 119.914 0.139 0.000 2.370 6198 V HA 0.518 4.638 4.120 0.000 0.000 0.279 6198 V C 0.354 176.543 176.094 0.158 0.000 1.029 6198 V CA -0.238 62.137 62.300 0.124 0.000 0.870 6198 V CB 1.412 33.298 31.823 0.105 0.000 0.984 6198 V HN 0.901 nan 8.190 nan 0.000 0.451 6199 T N 1.554 116.182 114.554 0.124 0.000 2.883 6199 T HA 0.404 4.754 4.350 0.000 0.000 0.284 6199 T C 0.888 175.645 174.700 0.094 0.000 1.041 6199 T CA -0.795 61.380 62.100 0.126 0.000 1.007 6199 T CB 1.618 70.541 68.868 0.092 0.000 1.220 6199 T HN 0.651 nan 8.240 nan 0.000 0.552 6200 K N 0.050 120.500 120.400 0.083 0.000 2.362 6200 K HA -0.050 4.270 4.320 0.000 0.000 0.200 6200 K C 0.673 177.305 176.600 0.054 0.000 1.046 6200 K CA 1.224 57.551 56.287 0.065 0.000 0.952 6200 K CB -0.180 32.355 32.500 0.058 0.000 0.753 6200 K HN 0.375 nan 8.250 nan 0.000 0.466 6201 D N 0.930 121.361 120.400 0.052 0.000 2.347 6201 D HA 0.078 4.718 4.640 0.000 0.000 0.213 6201 D C 0.958 177.284 176.300 0.043 0.000 0.985 6201 D CA 1.104 55.129 54.000 0.042 0.000 0.879 6201 D CB 0.728 41.549 40.800 0.035 0.000 0.919 6201 D HN 0.497 nan 8.370 nan 0.000 0.526 6202 G N -0.285 108.547 108.800 0.053 0.000 2.280 6202 G HA2 -0.118 3.842 3.960 0.000 0.000 0.277 6202 G HA3 -0.118 3.842 3.960 0.000 0.000 0.277 6202 G C -1.345 173.591 174.900 0.060 0.000 1.288 6202 G CA -0.602 44.530 45.100 0.054 0.000 1.075 6202 G HN 0.029 nan 8.290 nan 0.000 0.480 6203 V N 1.384 121.331 119.914 0.055 0.000 2.384 6203 V HA 0.735 4.855 4.120 0.000 0.000 0.287 6203 V C 0.546 176.667 176.094 0.046 0.000 1.020 6203 V CA -0.316 62.019 62.300 0.057 0.000 0.850 6203 V CB 1.358 33.218 31.823 0.060 0.000 0.987 6203 V HN 0.906 nan 8.190 nan 0.000 0.436 6204 R N 4.333 124.861 120.500 0.046 0.000 2.637 6204 R HA 0.606 4.946 4.340 0.000 0.000 0.291 6204 R C -0.813 175.504 176.300 0.029 0.000 0.963 6204 R CA -0.812 55.308 56.100 0.033 0.000 0.901 6204 R CB 1.563 31.883 30.300 0.032 0.000 1.160 6204 R HN 0.587 nan 8.270 nan 0.000 0.457 6205 K N 2.555 122.963 120.400 0.014 0.000 2.339 6205 K HA 0.226 4.546 4.320 0.000 0.000 0.264 6205 K C -1.047 175.542 176.600 -0.019 0.000 0.986 6205 K CA -0.444 55.845 56.287 0.003 0.000 0.866 6205 K CB 1.809 34.308 32.500 -0.002 0.000 1.103 6205 K HN 0.551 nan 8.250 nan 0.000 0.441 6206 E N 2.188 122.364 120.200 -0.040 0.000 2.191 6206 E HA 0.359 4.709 4.350 0.000 0.000 0.274 6206 E C -1.381 175.082 176.600 -0.229 0.000 0.948 6206 E CA -0.826 55.474 56.400 -0.166 0.000 0.802 6206 E CB 1.572 31.187 29.700 -0.143 0.000 1.137 6206 E HN 0.274 nan 8.360 nan 0.000 0.397 6207 F N 2.929 122.507 119.950 -0.620 0.000 2.561 6207 F HA 0.444 4.971 4.527 0.000 0.000 0.313 6207 F C -1.971 173.432 175.800 -0.663 0.000 1.126 6207 F CA -0.812 56.890 58.000 -0.497 0.000 0.918 6207 F CB 0.906 39.774 39.000 -0.220 0.000 1.199 6207 F HN 0.328 nan 8.300 nan 0.000 0.444 6208 Y N 3.500 123.368 120.300 -0.720 0.000 2.462 6208 Y HA 0.427 4.977 4.550 0.000 0.000 0.346 6208 Y C 0.110 175.550 175.900 -0.767 0.000 0.976 6208 Y CA -1.175 56.536 58.100 -0.649 0.000 1.044 6208 Y CB 1.386 39.680 38.460 -0.276 0.000 1.230 6208 Y HN 0.464 nan 8.280 nan 0.000 0.455 6209 E N 2.703 122.663 120.200 -0.400 0.000 2.373 6209 E HA 0.393 4.743 4.350 0.000 0.000 0.263 6209 E C -0.879 175.683 176.600 -0.063 0.000 1.073 6209 E CA -0.140 56.120 56.400 -0.234 0.000 0.894 6209 E CB 1.291 30.910 29.700 -0.134 0.000 1.008 6209 E HN 0.571 nan 8.360 nan 0.000 0.420 6210 L N 1.372 122.603 121.223 0.013 0.000 2.333 6210 L HA 0.366 4.706 4.340 0.000 0.000 0.263 6210 L C 0.256 177.158 176.870 0.054 0.000 1.014 6210 L CA -0.948 53.920 54.840 0.048 0.000 0.820 6210 L CB 1.922 44.033 42.059 0.087 0.000 1.352 6210 L HN 0.258 nan 8.230 nan 0.000 0.421 6211 K N 0.837 121.268 120.400 0.051 0.000 2.484 6211 K HA 0.035 4.355 4.320 0.000 0.000 0.280 6211 K C 0.157 176.793 176.600 0.061 0.000 1.013 6211 K CA 0.324 56.640 56.287 0.047 0.000 1.029 6211 K CB 0.484 33.009 32.500 0.041 0.000 0.902 6211 K HN 0.423 nan 8.250 nan 0.000 0.481 6212 R N 2.209 122.743 120.500 0.056 0.000 2.568 6212 R HA 0.016 4.356 4.340 0.000 0.000 0.288 6212 R C -0.187 176.149 176.300 0.060 0.000 1.077 6212 R CA -0.245 55.893 56.100 0.064 0.000 1.102 6212 R CB -0.180 30.157 30.300 0.062 0.000 1.278 6212 R HN 0.620 nan 8.270 nan 0.000 0.560 6213 D N 0.000 120.435 120.400 0.058 0.000 6.856 6213 D HA 0.000 4.640 4.640 0.000 0.000 0.175 6213 D CA 0.000 54.033 54.000 0.056 0.000 0.868 6213 D CB 0.000 40.827 40.800 0.045 0.000 0.688 6213 D HN 0.000 nan 8.370 nan 0.000 0.683