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 1vsy_1_1 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 0.000 176.034 176.000 0.057 0.000 1.003 601 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 601 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 602 F N 2.893 122.814 119.950 -0.048 0.000 2.467 602 F HA 0.368 4.895 4.527 -0.001 0.000 0.362 602 F C -0.473 175.282 175.800 -0.075 0.000 1.090 602 F CA 0.281 58.253 58.000 -0.048 0.000 1.202 602 F CB 0.564 39.540 39.000 -0.040 0.000 1.113 602 F HN 0.555 nan 8.300 nan 0.000 0.541 603 N N 7.958 126.163 118.700 -0.825 0.000 2.476 603 N HA 0.328 5.068 4.740 -0.001 0.000 0.257 603 N C -1.890 172.979 175.510 -1.069 0.000 0.970 603 N CA -1.913 50.701 53.050 -0.728 0.000 0.938 603 N CB 1.372 39.608 38.487 -0.418 0.000 1.144 603 N HN 0.393 nan 8.380 nan 0.000 0.500 604 P HA -0.026 nan 4.420 nan 0.000 0.233 604 P C -0.615 176.515 177.300 -0.284 0.000 1.167 604 P CA 0.772 63.610 63.100 -0.436 0.000 0.770 604 P CB 0.180 31.851 31.700 -0.048 0.000 0.837 605 Y N 0.370 120.383 120.300 -0.478 0.000 2.488 605 Y HA 0.676 5.225 4.550 -0.001 0.000 0.325 605 Y C 1.311 176.619 175.900 -0.987 0.000 1.204 605 Y CA -1.141 56.456 58.100 -0.838 0.000 1.229 605 Y CB 1.260 39.341 38.460 -0.631 0.000 1.274 605 Y HN -0.092 nan 8.280 nan 0.000 0.493 606 G N 0.258 108.353 108.800 -1.175 0.000 2.600 606 G HA2 0.418 4.377 3.960 -0.001 0.000 0.293 606 G HA3 0.418 4.377 3.960 -0.001 0.000 0.293 606 G C -2.170 172.590 174.900 -0.235 0.000 1.408 606 G CA -0.696 44.059 45.100 -0.575 0.000 0.782 606 G HN 0.382 nan 8.290 nan 0.000 0.482 607 D N -1.501 118.887 120.400 -0.020 0.000 2.498 607 D HA 0.506 5.145 4.640 -0.001 0.000 0.247 607 D C 0.046 176.427 176.300 0.134 0.000 1.070 607 D CA -0.637 53.423 54.000 0.099 0.000 0.842 607 D CB 1.868 42.701 40.800 0.056 0.000 1.361 607 D HN 0.298 nan 8.370 nan 0.000 0.484 608 N N 0.911 119.707 118.700 0.161 0.000 2.143 608 N HA 0.367 5.106 4.740 -0.001 0.000 0.229 608 N C 0.424 175.982 175.510 0.080 0.000 1.294 608 N CA -0.140 52.981 53.050 0.119 0.000 0.883 608 N CB 1.369 39.939 38.487 0.138 0.000 1.148 608 N HN 0.575 nan 8.380 nan 0.000 0.511 6002 T N 0.486 115.067 114.554 0.045 0.000 3.295 6002 T HA 0.528 4.877 4.350 -0.001 0.000 0.331 6002 T C -0.405 174.399 174.700 0.173 0.000 1.142 6002 T CA -0.302 61.821 62.100 0.039 0.000 1.078 6002 T CB 0.872 69.704 68.868 -0.060 0.000 1.150 6002 T HN 1.072 nan 8.240 nan 0.000 0.465 6003 I N 1.121 121.765 120.570 0.123 0.000 2.693 6003 I HA 0.969 5.138 4.170 -0.001 0.000 0.303 6003 I C -1.498 174.720 176.117 0.168 0.000 1.025 6003 I CA -1.449 59.962 61.300 0.185 0.000 1.086 6003 I CB 2.028 40.101 38.000 0.121 0.000 1.268 6003 I HN 0.522 nan 8.210 nan 0.000 0.440 6004 L N 3.556 124.913 121.223 0.224 0.000 2.464 6004 L HA 0.912 5.251 4.340 -0.001 0.000 0.266 6004 L C -0.701 176.253 176.870 0.141 0.000 0.965 6004 L CA 0.118 55.061 54.840 0.171 0.000 0.833 6004 L CB 2.036 44.237 42.059 0.237 0.000 1.296 6004 L HN 0.896 nan 8.230 nan 0.000 0.405 6005 G N 5.274 114.129 108.800 0.092 0.000 2.590 6005 G HA2 0.713 4.673 3.960 -0.001 0.000 0.310 6005 G HA3 0.713 4.673 3.960 -0.001 0.000 0.310 6005 G C -1.488 173.429 174.900 0.028 0.000 1.347 6005 G CA -0.409 44.729 45.100 0.063 0.000 0.963 6005 G HN 0.589 nan 8.290 nan 0.000 0.494 6006 I N 1.458 122.036 120.570 0.014 0.000 2.499 6006 I HA 0.499 4.668 4.170 -0.001 0.000 0.288 6006 I C 0.251 176.307 176.117 -0.103 0.000 1.048 6006 I CA -0.969 60.317 61.300 -0.025 0.000 1.062 6006 I CB 2.386 40.395 38.000 0.015 0.000 1.238 6006 I HN 0.574 nan 8.210 nan 0.000 0.426 6007 A N 4.983 127.717 122.820 -0.143 0.000 2.269 6007 A HA 0.734 5.054 4.320 -0.001 0.000 0.302 6007 A C 0.400 177.791 177.584 -0.323 0.000 1.266 6007 A CA -0.228 51.671 52.037 -0.231 0.000 0.894 6007 A CB 0.344 19.219 19.000 -0.209 0.000 1.147 6007 A HN 0.839 nan 8.150 nan 0.000 0.537 6008 G N 0.445 108.848 108.800 -0.662 0.000 2.525 6008 G HA2 0.364 4.323 3.960 -0.001 0.000 0.287 6008 G HA3 0.364 4.323 3.960 -0.001 0.000 0.287 6008 G C 0.638 175.300 174.900 -0.396 0.000 1.350 6008 G CA 0.310 44.859 45.100 -0.917 0.000 1.039 6008 G HN 0.784 nan 8.290 nan 0.000 0.513 6009 E N -1.130 119.016 120.200 -0.090 0.000 2.075 6009 E HA -0.059 4.290 4.350 -0.001 0.000 0.190 6009 E C 1.126 177.768 176.600 0.069 0.000 0.969 6009 E CA 1.344 57.736 56.400 -0.014 0.000 0.815 6009 E CB 0.139 29.911 29.700 0.121 0.000 0.776 6009 E HN 0.545 nan 8.360 nan 0.000 0.457 6010 D N -0.828 119.731 120.400 0.265 0.000 2.501 6010 D HA 0.139 4.779 4.640 -0.001 0.000 0.224 6010 D C -0.103 176.398 176.300 0.336 0.000 1.202 6010 D CA -0.404 53.741 54.000 0.241 0.000 0.829 6010 D CB 0.037 40.959 40.800 0.204 0.000 1.023 6010 D HN 0.158 nan 8.370 nan 0.000 0.499 6011 F N -1.516 118.465 119.950 0.052 0.000 2.817 6011 F HA 0.854 5.380 4.527 -0.001 0.000 0.317 6011 F C -2.084 173.748 175.800 0.055 0.000 1.168 6011 F CA -1.774 56.258 58.000 0.053 0.000 0.911 6011 F CB 0.950 39.985 39.000 0.058 0.000 1.337 6011 F HN -0.021 nan 8.300 nan 0.000 0.464 6012 A N 0.897 123.753 122.820 0.060 0.000 2.566 6012 A HA 0.754 5.074 4.320 -0.001 0.000 0.297 6012 A C -1.577 176.079 177.584 0.120 0.000 1.059 6012 A CA -0.264 51.730 52.037 -0.071 0.000 0.691 6012 A CB 1.270 20.234 19.000 -0.059 0.000 1.282 6012 A HN 2.105 nan 8.150 nan 0.000 0.401 6013 V N -0.058 119.917 119.914 0.101 0.000 2.715 6013 V HA 0.890 5.009 4.120 -0.001 0.000 0.310 6013 V C -0.542 175.605 176.094 0.088 0.000 1.054 6013 V CA -0.857 61.525 62.300 0.136 0.000 0.928 6013 V CB 1.828 33.763 31.823 0.187 0.000 1.007 6013 V HN 1.061 nan 8.190 nan 0.000 0.437 6014 L N 3.650 124.922 121.223 0.081 0.000 2.518 6014 L HA 0.820 5.160 4.340 -0.001 0.000 0.262 6014 L C -0.283 176.617 176.870 0.050 0.000 0.982 6014 L CA -0.261 54.619 54.840 0.067 0.000 0.873 6014 L CB 1.127 43.219 42.059 0.054 0.000 1.198 6014 L HN 1.114 nan 8.230 nan 0.000 0.427 6015 A N 3.102 125.963 122.820 0.069 0.000 2.340 6015 A HA 0.961 5.280 4.320 -0.001 0.000 0.331 6015 A C -0.214 177.378 177.584 0.014 0.000 1.140 6015 A CA -0.146 51.896 52.037 0.007 0.000 0.801 6015 A CB 1.818 20.809 19.000 -0.015 0.000 1.234 6015 A HN 0.789 nan 8.150 nan 0.000 0.469 6016 G N 0.871 109.610 108.800 -0.102 0.000 2.690 6016 G HA2 0.561 4.520 3.960 -0.001 0.000 0.293 6016 G HA3 0.561 4.520 3.960 -0.001 0.000 0.293 6016 G C -1.290 173.520 174.900 -0.149 0.000 1.399 6016 G CA -0.519 44.550 45.100 -0.052 0.000 0.890 6016 G HN 0.856 nan 8.290 nan 0.000 0.485 6017 D N -0.834 119.553 120.400 -0.022 0.000 2.377 6017 D HA 0.320 4.960 4.640 -0.001 0.000 0.245 6017 D C 0.756 177.033 176.300 -0.038 0.000 1.196 6017 D CA -0.266 53.727 54.000 -0.012 0.000 0.962 6017 D CB 1.074 41.949 40.800 0.125 0.000 1.127 6017 D HN 0.185 nan 8.370 nan 0.000 0.471 6018 T N -1.342 113.209 114.554 -0.004 0.000 3.069 6018 T HA 0.063 4.412 4.350 -0.001 0.000 0.252 6018 T C 0.974 175.652 174.700 -0.036 0.000 1.053 6018 T CA -0.326 61.729 62.100 -0.075 0.000 0.964 6018 T CB 0.004 68.880 68.868 0.013 0.000 1.005 6018 T HN 0.319 nan 8.240 nan 0.000 0.532 6019 R N 2.859 123.371 120.500 0.019 0.000 2.340 6019 R HA 0.250 4.589 4.340 -0.001 0.000 0.300 6019 R C -0.709 175.602 176.300 0.018 0.000 1.069 6019 R CA -0.268 55.853 56.100 0.036 0.000 0.984 6019 R CB 0.314 30.650 30.300 0.061 0.000 1.003 6019 R HN 0.023 nan 8.270 nan 0.000 0.459 6020 N N 5.241 123.955 118.700 0.022 0.000 2.448 6020 N HA 0.266 5.005 4.740 -0.001 0.000 0.279 6020 N C -1.296 174.239 175.510 0.043 0.000 1.025 6020 N CA -0.529 52.536 53.050 0.026 0.000 0.898 6020 N CB 1.088 39.581 38.487 0.011 0.000 1.303 6020 N HN 0.563 nan 8.380 nan 0.000 0.495 6021 I N -0.483 120.117 120.570 0.050 0.000 3.002 6021 I HA 0.642 4.812 4.170 -0.001 0.000 0.310 6021 I C -0.397 175.753 176.117 0.056 0.000 1.087 6021 I CA -0.548 60.783 61.300 0.051 0.000 1.017 6021 I CB 2.124 40.148 38.000 0.041 0.000 1.226 6021 I HN 0.154 nan 8.210 nan 0.000 0.443 6022 T N 2.887 117.472 114.554 0.051 0.000 2.906 6022 T HA 0.390 4.739 4.350 -0.001 0.000 0.302 6022 T C -0.468 174.249 174.700 0.028 0.000 1.002 6022 T CA 0.008 62.137 62.100 0.049 0.000 0.988 6022 T CB 0.463 69.371 68.868 0.066 0.000 0.972 6022 T HN 0.881 nan 8.240 nan 0.000 0.447 6023 D N 1.733 122.122 120.400 -0.019 0.000 4.508 6023 D HA -0.229 4.411 4.640 -0.001 0.000 0.178 6023 D C 0.419 176.589 176.300 -0.216 0.000 0.644 6023 D CA 1.942 55.891 54.000 -0.085 0.000 1.244 6023 D CB -0.761 40.060 40.800 0.035 0.000 0.727 6023 D HN 0.657 nan 8.370 nan 0.000 0.495 6024 Y N 0.122 120.444 120.300 0.037 0.000 2.471 6024 Y HA 0.418 4.967 4.550 -0.001 0.000 0.249 6024 Y C 0.951 176.873 175.900 0.037 0.000 1.116 6024 Y CA 0.354 58.475 58.100 0.034 0.000 1.240 6024 Y CB 1.050 39.525 38.460 0.025 0.000 1.251 6024 Y HN 0.020 nan 8.280 nan 0.000 0.527 6025 S N 0.032 115.825 115.700 0.155 0.000 2.687 6025 S HA 0.589 5.059 4.470 -0.001 0.000 0.283 6025 S C -0.428 174.223 174.600 0.085 0.000 1.170 6025 S CA -0.485 57.783 58.200 0.113 0.000 1.008 6025 S CB 0.440 63.696 63.200 0.093 0.000 1.026 6025 S HN 0.087 nan 8.310 nan 0.000 0.541 6026 I N 3.448 124.064 120.570 0.077 0.000 2.392 6026 I HA 0.303 4.472 4.170 -0.001 0.000 0.295 6026 I C 0.443 176.596 176.117 0.061 0.000 0.985 6026 I CA -0.623 60.718 61.300 0.067 0.000 1.221 6026 I CB 1.605 39.645 38.000 0.068 0.000 1.366 6026 I HN 0.652 nan 8.210 nan 0.000 0.467 6027 N N 2.560 121.294 118.700 0.057 0.000 2.322 6027 N HA 0.041 4.780 4.740 -0.001 0.000 0.186 6027 N C 0.305 175.845 175.510 0.050 0.000 1.037 6027 N CA 0.596 53.678 53.050 0.053 0.000 0.869 6027 N CB 0.292 38.811 38.487 0.053 0.000 1.036 6027 N HN 0.519 nan 8.380 nan 0.000 0.439 6028 S N -0.942 114.786 115.700 0.047 0.000 2.595 6028 S HA 0.464 4.933 4.470 -0.001 0.000 0.281 6028 S C 0.275 174.911 174.600 0.060 0.000 1.117 6028 S CA -0.664 57.567 58.200 0.052 0.000 0.873 6028 S CB 1.776 65.001 63.200 0.041 0.000 1.108 6028 S HN 0.052 nan 8.310 nan 0.000 0.477 6029 R N 0.620 121.172 120.500 0.087 0.000 2.189 6029 R HA 0.149 4.488 4.340 -0.001 0.000 0.203 6029 R C -0.587 175.811 176.300 0.164 0.000 1.012 6029 R CA 0.505 56.674 56.100 0.114 0.000 1.015 6029 R CB 0.235 30.606 30.300 0.119 0.000 0.938 6029 R HN 0.622 nan 8.270 nan 0.000 0.472 6030 Y N 1.212 121.508 120.300 -0.006 0.000 2.426 6030 Y HA 0.269 4.818 4.550 -0.001 0.000 0.325 6030 Y C -1.358 174.510 175.900 -0.054 0.000 0.989 6030 Y CA -1.138 56.929 58.100 -0.055 0.000 1.284 6030 Y CB 1.207 39.609 38.460 -0.097 0.000 1.104 6030 Y HN -0.142 nan 8.280 nan 0.000 0.481 6031 E N 7.550 127.509 120.200 -0.401 0.000 2.448 6031 E HA 0.435 4.784 4.350 -0.001 0.000 0.288 6031 E C -3.132 173.209 176.600 -0.432 0.000 0.936 6031 E CA -2.003 54.205 56.400 -0.321 0.000 0.809 6031 E CB 1.412 31.043 29.700 -0.115 0.000 1.408 6031 E HN 0.266 nan 8.360 nan 0.000 0.393 6032 P HA 0.299 nan 4.420 nan 0.000 0.274 6032 P C -0.287 176.671 177.300 -0.569 0.000 1.237 6032 P CA -0.349 62.370 63.100 -0.635 0.000 0.793 6032 P CB 1.189 32.486 31.700 -0.672 0.000 0.977 6033 K N 0.365 120.423 120.400 -0.571 0.000 2.474 6033 K HA 0.162 4.481 4.320 -0.001 0.000 0.202 6033 K C -0.414 175.889 176.600 -0.494 0.000 1.248 6033 K CA 0.328 56.386 56.287 -0.381 0.000 0.946 6033 K CB 0.584 32.968 32.500 -0.194 0.000 1.102 6033 K HN 0.260 nan 8.250 nan 0.000 0.541 6034 V N 1.652 121.206 119.914 -0.600 0.000 2.370 6034 V HA 0.545 4.664 4.120 -0.001 0.000 0.283 6034 V C -0.780 174.988 176.094 -0.543 0.000 1.023 6034 V CA -0.833 61.227 62.300 -0.401 0.000 0.857 6034 V CB 0.747 32.444 31.823 -0.211 0.000 0.985 6034 V HN -0.092 nan 8.190 nan 0.000 0.443 6035 F N 1.571 121.502 119.950 -0.032 0.000 2.532 6035 F HA 0.499 5.025 4.527 -0.001 0.000 0.321 6035 F C 0.282 176.083 175.800 0.000 0.000 1.089 6035 F CA -0.840 57.146 58.000 -0.023 0.000 0.926 6035 F CB 1.671 40.652 39.000 -0.030 0.000 1.168 6035 F HN 0.485 nan 8.300 nan 0.000 0.459 6036 D N 1.483 122.009 120.400 0.211 0.000 2.317 6036 D HA 0.170 4.809 4.640 -0.001 0.000 0.252 6036 D C 0.015 176.396 176.300 0.134 0.000 1.174 6036 D CA 0.063 54.146 54.000 0.138 0.000 0.866 6036 D CB 1.174 42.034 40.800 0.100 0.000 1.127 6036 D HN 0.593 nan 8.370 nan 0.000 0.467 6037 C N 3.116 122.492 119.300 0.127 0.000 3.038 6037 C HA 0.555 5.015 4.460 -0.001 0.000 0.279 6037 C C 1.125 176.154 174.990 0.066 0.000 1.276 6037 C CA 0.213 59.299 59.018 0.113 0.000 1.697 6037 C CB -1.052 26.826 27.740 0.230 0.000 2.032 6037 C HN 0.879 nan 8.230 nan 0.000 0.636 6038 G N 1.175 110.020 108.800 0.075 0.000 2.757 6038 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.638 6038 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.638 6038 G C -0.456 174.497 174.900 0.088 0.000 1.344 6038 G CA -0.120 45.025 45.100 0.075 0.000 0.855 6038 G HN 0.252 nan 8.290 nan 0.000 0.537 6039 D N 0.009 120.473 120.400 0.106 0.000 2.733 6039 D HA -0.204 4.435 4.640 -0.001 0.000 0.232 6039 D C 0.884 177.238 176.300 0.090 0.000 1.161 6039 D CA 1.795 55.859 54.000 0.108 0.000 0.653 6039 D CB -1.407 39.466 40.800 0.122 0.000 1.052 6039 D HN 1.101 nan 8.370 nan 0.000 0.424 6040 N N -0.939 117.812 118.700 0.085 0.000 2.705 6040 N HA -0.229 4.510 4.740 -0.001 0.000 0.255 6040 N C -0.693 174.871 175.510 0.090 0.000 1.008 6040 N CA 0.656 53.756 53.050 0.083 0.000 0.742 6040 N CB -0.697 37.837 38.487 0.077 0.000 0.906 6040 N HN 0.476 nan 8.380 nan 0.000 0.541 6041 I N 0.803 121.433 120.570 0.101 0.000 2.478 6041 I HA 0.312 4.481 4.170 -0.001 0.000 0.287 6041 I C 0.223 176.405 176.117 0.108 0.000 1.042 6041 I CA -1.037 60.329 61.300 0.110 0.000 1.067 6041 I CB 1.817 39.906 38.000 0.147 0.000 1.233 6041 I HN -0.182 nan 8.210 nan 0.000 0.431 6042 V N 4.915 124.881 119.914 0.086 0.000 2.513 6042 V HA 0.803 4.922 4.120 -0.001 0.000 0.299 6042 V C -0.283 175.844 176.094 0.055 0.000 1.035 6042 V CA -0.564 61.784 62.300 0.081 0.000 0.889 6042 V CB 1.636 33.500 31.823 0.068 0.000 0.988 6042 V HN 0.906 nan 8.190 nan 0.000 0.440 6043 M N 3.018 122.653 119.600 0.058 0.000 2.667 6043 M HA 0.885 5.365 4.480 -0.001 0.000 0.286 6043 M C -0.973 175.360 176.300 0.054 0.000 1.270 6043 M CA -0.429 54.878 55.300 0.011 0.000 0.826 6043 M CB 2.437 34.962 32.600 -0.125 0.000 1.743 6043 M HN 0.685 nan 8.290 nan 0.000 0.460 6044 S N 0.874 116.588 115.700 0.024 0.000 2.649 6044 S HA 0.802 5.272 4.470 -0.001 0.000 0.274 6044 S C -1.596 173.013 174.600 0.015 0.000 1.176 6044 S CA -0.413 57.812 58.200 0.041 0.000 0.988 6044 S CB 1.652 64.866 63.200 0.023 0.000 1.071 6044 S HN 1.019 nan 8.310 nan 0.000 0.478 6045 A N 4.762 127.592 122.820 0.016 0.000 2.316 6045 A HA 0.582 4.901 4.320 -0.001 0.000 0.324 6045 A C -0.150 177.442 177.584 0.014 0.000 1.375 6045 A CA -0.684 51.338 52.037 -0.026 0.000 0.882 6045 A CB 0.163 19.107 19.000 -0.093 0.000 1.152 6045 A HN 0.751 nan 8.150 nan 0.000 0.512 6046 N N 2.044 120.767 118.700 0.038 0.000 2.370 6046 N HA 0.667 5.406 4.740 -0.001 0.000 0.303 6046 N C 0.527 176.076 175.510 0.064 0.000 1.103 6046 N CA 0.708 53.791 53.050 0.054 0.000 0.848 6046 N CB 1.991 40.515 38.487 0.062 0.000 1.235 6046 N HN 0.884 nan 8.380 nan 0.000 0.496 6047 G N 2.180 111.033 108.800 0.088 0.000 1.742 6047 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.185 6047 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.185 6047 G C -1.169 173.888 174.900 0.262 0.000 1.174 6047 G CA -0.454 44.732 45.100 0.144 0.000 1.276 6047 G HN 0.505 nan 8.290 nan 0.000 0.424 6048 F N 4.007 124.036 119.950 0.132 0.000 2.375 6048 F HA 0.751 5.277 4.527 -0.001 0.000 0.362 6048 F C 1.438 177.295 175.800 0.093 0.000 1.129 6048 F CA -0.333 57.742 58.000 0.124 0.000 1.154 6048 F CB 0.849 39.941 39.000 0.153 0.000 1.205 6048 F HN 0.813 nan 8.300 nan 0.000 0.513 6049 A N 5.859 128.618 122.820 -0.101 0.000 1.869 6049 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 6049 A C 2.406 179.768 177.584 -0.371 0.000 1.203 6049 A CA 2.428 54.357 52.037 -0.181 0.000 0.638 6049 A CB -1.388 17.569 19.000 -0.071 0.000 0.831 6049 A HN 0.998 nan 8.150 nan 0.000 0.450 6050 A N -0.726 121.680 122.820 -0.690 0.000 1.917 6050 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 6050 A C 1.855 179.188 177.584 -0.419 0.000 1.182 6050 A CA 2.345 54.048 52.037 -0.557 0.000 0.633 6050 A CB -0.723 17.926 19.000 -0.586 0.000 0.819 6050 A HN 0.508 nan 8.150 nan 0.000 0.448 6051 D N -1.028 119.044 120.400 -0.546 0.000 2.149 6051 D HA 0.007 4.646 4.640 -0.001 0.000 0.201 6051 D C 2.127 178.393 176.300 -0.056 0.000 0.972 6051 D CA 1.336 55.307 54.000 -0.047 0.000 0.835 6051 D CB -0.514 40.426 40.800 0.233 0.000 0.966 6051 D HN 0.398 nan 8.370 nan 0.000 0.476 6052 G N 0.332 109.062 108.800 -0.117 0.000 2.394 6052 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 6052 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 6052 G C 1.392 176.212 174.900 -0.133 0.000 1.165 6052 G CA 0.496 45.530 45.100 -0.110 0.000 0.784 6052 G HN 0.108 nan 8.290 nan 0.000 0.535 6053 D N 1.074 121.400 120.400 -0.123 0.000 2.133 6053 D HA -0.093 4.546 4.640 -0.001 0.000 0.195 6053 D C 2.787 178.981 176.300 -0.177 0.000 0.997 6053 D CA 1.370 55.286 54.000 -0.139 0.000 0.840 6053 D CB -0.340 40.391 40.800 -0.116 0.000 0.947 6053 D HN 0.294 nan 8.370 nan 0.000 0.452 6054 A N 0.141 122.868 122.820 -0.155 0.000 1.929 6054 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 6054 A C 2.143 179.591 177.584 -0.228 0.000 1.176 6054 A CA 0.804 52.762 52.037 -0.132 0.000 0.628 6054 A CB -0.532 18.452 19.000 -0.027 0.000 0.816 6054 A HN 0.259 nan 8.150 nan 0.000 0.444 6055 L N -0.511 120.487 121.223 -0.374 0.000 2.109 6055 L HA -0.034 4.306 4.340 -0.001 0.000 0.207 6055 L C 2.338 179.025 176.870 -0.305 0.000 1.086 6055 L CA 1.499 56.014 54.840 -0.540 0.000 0.760 6055 L CB -0.405 41.226 42.059 -0.713 0.000 0.910 6055 L HN 0.122 nan 8.230 nan 0.000 0.437 6056 V N -0.019 119.748 119.914 -0.245 0.000 2.255 6056 V HA -0.343 3.776 4.120 -0.001 0.000 0.247 6056 V C 2.719 178.714 176.094 -0.165 0.000 1.051 6056 V CA 2.121 64.306 62.300 -0.193 0.000 1.018 6056 V CB -0.543 31.114 31.823 -0.277 0.000 0.641 6056 V HN 0.490 nan 8.190 nan 0.000 0.445 6057 K N -0.509 119.768 120.400 -0.206 0.000 2.059 6057 K HA -0.282 4.037 4.320 -0.001 0.000 0.212 6057 K C 2.382 178.914 176.600 -0.112 0.000 1.050 6057 K CA 2.199 58.389 56.287 -0.162 0.000 0.927 6057 K CB -0.223 32.191 32.500 -0.143 0.000 0.714 6057 K HN 0.262 nan 8.250 nan 0.000 0.447 6058 R N -0.727 119.708 120.500 -0.109 0.000 2.115 6058 R HA -0.107 4.232 4.340 -0.001 0.000 0.230 6058 R C 2.140 178.410 176.300 -0.050 0.000 1.111 6058 R CA 1.191 57.243 56.100 -0.079 0.000 0.976 6058 R CB -0.146 30.096 30.300 -0.095 0.000 0.870 6058 R HN 0.192 nan 8.270 nan 0.000 0.445 6059 F N 0.884 120.717 119.950 -0.195 0.000 2.179 6059 F HA 0.038 4.564 4.527 -0.001 0.000 0.292 6059 F C 1.766 177.467 175.800 -0.165 0.000 1.089 6059 F CA 1.138 59.025 58.000 -0.188 0.000 1.295 6059 F CB 0.004 38.869 39.000 -0.225 0.000 1.041 6059 F HN -0.214 nan 8.300 nan 0.000 0.487 6060 K N 0.343 120.679 120.400 -0.108 0.000 2.189 6060 K HA -0.287 4.032 4.320 -0.001 0.000 0.207 6060 K C 2.006 178.434 176.600 -0.287 0.000 1.046 6060 K CA 1.720 57.882 56.287 -0.208 0.000 0.928 6060 K CB -0.462 31.963 32.500 -0.124 0.000 0.720 6060 K HN 0.422 nan 8.250 nan 0.000 0.458 6061 N N -0.262 118.309 118.700 -0.215 0.000 2.333 6061 N HA -0.084 4.655 4.740 -0.001 0.000 0.178 6061 N C 1.708 177.140 175.510 -0.131 0.000 1.018 6061 N CA 0.514 53.480 53.050 -0.139 0.000 0.882 6061 N CB 0.156 38.621 38.487 -0.037 0.000 0.984 6061 N HN -0.001 nan 8.380 nan 0.000 0.434 6062 S N -0.012 115.539 115.700 -0.248 0.000 2.419 6062 S HA -0.039 4.431 4.470 -0.001 0.000 0.233 6062 S C 1.937 176.333 174.600 -0.340 0.000 1.016 6062 S CA 0.594 58.646 58.200 -0.248 0.000 0.974 6062 S CB -0.011 63.004 63.200 -0.307 0.000 0.786 6062 S HN 0.141 nan 8.310 nan 0.000 0.492 6063 V N 1.485 121.057 119.914 -0.572 0.000 2.323 6063 V HA -0.087 4.033 4.120 -0.001 0.000 0.244 6063 V C 2.433 178.132 176.094 -0.659 0.000 1.041 6063 V CA 1.794 63.721 62.300 -0.622 0.000 1.025 6063 V CB -0.568 30.859 31.823 -0.660 0.000 0.656 6063 V HN 0.451 nan 8.190 nan 0.000 0.451 6064 K N -1.243 118.821 120.400 -0.560 0.000 2.113 6064 K HA -0.259 4.061 4.320 -0.001 0.000 0.208 6064 K C 1.892 177.941 176.600 -0.919 0.000 1.047 6064 K CA 2.294 58.153 56.287 -0.714 0.000 0.928 6064 K CB -0.216 31.862 32.500 -0.702 0.000 0.716 6064 K HN 0.586 nan 8.250 nan 0.000 0.446 6065 W N -1.015 119.986 121.300 -0.497 0.000 2.812 6065 W HA 0.016 4.675 4.660 -0.001 0.000 0.263 6065 W C 1.754 178.244 176.519 -0.049 0.000 1.284 6065 W CA -0.174 56.990 57.345 -0.301 0.000 1.430 6065 W CB -0.024 29.319 29.460 -0.194 0.000 1.088 6065 W HN 0.142 nan 8.180 nan 0.000 0.623 6066 Y N -0.077 120.222 120.300 -0.002 0.000 2.439 6066 Y HA -0.202 4.347 4.550 -0.001 0.000 0.292 6066 Y C 2.338 178.353 175.900 0.190 0.000 1.130 6066 Y CA 1.692 59.825 58.100 0.054 0.000 1.254 6066 Y CB -0.406 37.985 38.460 -0.115 0.000 1.000 6066 Y HN -0.105 nan 8.280 nan 0.000 0.554 6067 H N -0.414 118.746 119.070 0.150 0.000 2.256 6067 H HA -0.135 4.420 4.556 -0.001 0.000 0.301 6067 H C 2.043 177.517 175.328 0.243 0.000 1.062 6067 H CA 1.901 58.038 56.048 0.150 0.000 1.283 6067 H CB -1.131 28.713 29.762 0.137 0.000 1.379 6067 H HN 0.277 nan 8.280 nan 0.000 0.493 6068 F N 1.351 121.357 119.950 0.094 0.000 2.147 6068 F HA -0.175 4.352 4.527 -0.001 0.000 0.301 6068 F C 2.097 177.933 175.800 0.060 0.000 1.084 6068 F CA 1.149 59.151 58.000 0.002 0.000 1.268 6068 F CB -0.839 38.061 39.000 -0.167 0.000 1.009 6068 F HN 0.195 nan 8.300 nan 0.000 0.486 6069 D N -1.998 118.596 120.400 0.322 0.000 2.289 6069 D HA -0.054 4.585 4.640 -0.001 0.000 0.207 6069 D C 0.707 176.950 176.300 -0.095 0.000 0.966 6069 D CA 1.080 55.183 54.000 0.172 0.000 0.868 6069 D CB -0.199 40.761 40.800 0.266 0.000 0.943 6069 D HN 0.338 nan 8.370 nan 0.000 0.514 6070 H N -0.630 118.385 119.070 -0.092 0.000 2.676 6070 H HA 0.262 4.817 4.556 -0.001 0.000 0.238 6070 H C -0.731 174.535 175.328 -0.105 0.000 1.276 6070 H CA -0.572 55.369 56.048 -0.179 0.000 0.983 6070 H CB -0.418 29.069 29.762 -0.460 0.000 2.000 6070 H HN -0.131 nan 8.280 nan 0.000 0.584 6071 N N 2.312 121.027 118.700 0.026 0.000 2.642 6071 N HA -0.235 4.504 4.740 -0.001 0.000 0.269 6071 N C -0.689 174.827 175.510 0.010 0.000 1.073 6071 N CA 0.808 53.863 53.050 0.009 0.000 0.748 6071 N CB -0.527 37.952 38.487 -0.013 0.000 0.894 6071 N HN 0.577 nan 8.380 nan 0.000 0.548 6072 D N -1.441 118.970 120.400 0.020 0.000 2.913 6072 D HA -0.279 4.360 4.640 -0.001 0.000 0.228 6072 D C 0.283 176.552 176.300 -0.051 0.000 1.180 6072 D CA 1.327 55.269 54.000 -0.098 0.000 0.761 6072 D CB -0.238 40.466 40.800 -0.161 0.000 1.085 6072 D HN 0.666 nan 8.370 nan 0.000 0.420 6073 K N 1.217 121.659 120.400 0.071 0.000 2.469 6073 K HA -0.001 4.319 4.320 -0.001 0.000 0.274 6073 K C 0.397 177.173 176.600 0.294 0.000 0.983 6073 K CA 0.139 56.509 56.287 0.138 0.000 0.974 6073 K CB 0.689 33.247 32.500 0.097 0.000 0.913 6073 K HN -0.082 nan 8.250 nan 0.000 0.493 6074 K N 3.762 124.298 120.400 0.226 0.000 2.298 6074 K HA 0.060 4.379 4.320 -0.001 0.000 0.280 6074 K C -0.545 176.189 176.600 0.224 0.000 1.032 6074 K CA -0.558 55.860 56.287 0.218 0.000 0.958 6074 K CB 0.519 33.095 32.500 0.126 0.000 0.978 6074 K HN 0.362 nan 8.250 nan 0.000 0.472 6075 L N 4.541 125.826 121.223 0.103 0.000 2.342 6075 L HA 0.083 4.422 4.340 -0.001 0.000 0.285 6075 L C -0.619 176.211 176.870 -0.067 0.000 1.095 6075 L CA 0.468 55.210 54.840 -0.164 0.000 0.843 6075 L CB 0.195 42.053 42.059 -0.336 0.000 1.201 6075 L HN 0.538 nan 8.230 nan 0.000 0.445 6076 S N 5.028 120.699 115.700 -0.049 0.000 2.593 6076 S HA -0.084 4.385 4.470 -0.001 0.000 0.300 6076 S C 1.545 176.136 174.600 -0.014 0.000 1.267 6076 S CA -0.242 57.958 58.200 -0.001 0.000 1.065 6076 S CB 0.220 63.426 63.200 0.009 0.000 0.807 6076 S HN 0.711 nan 8.310 nan 0.000 0.499 6077 I N 3.462 124.057 120.570 0.042 0.000 2.145 6077 I HA -0.319 3.850 4.170 -0.001 0.000 0.244 6077 I C 2.258 178.354 176.117 -0.034 0.000 1.075 6077 I CA 2.012 63.351 61.300 0.064 0.000 1.332 6077 I CB -0.610 37.498 38.000 0.179 0.000 1.033 6077 I HN 0.905 nan 8.210 nan 0.000 0.410 6078 N N -0.409 118.296 118.700 0.008 0.000 2.348 6078 N HA -0.157 4.582 4.740 -0.001 0.000 0.185 6078 N C 1.528 176.938 175.510 -0.167 0.000 1.019 6078 N CA 1.751 54.749 53.050 -0.088 0.000 0.880 6078 N CB -0.538 38.006 38.487 0.095 0.000 0.965 6078 N HN 0.417 nan 8.380 nan 0.000 0.437 6079 S N 0.473 116.097 115.700 -0.127 0.000 2.421 6079 S HA 0.249 4.718 4.470 -0.001 0.000 0.224 6079 S C 2.204 176.695 174.600 -0.182 0.000 1.035 6079 S CA 0.410 58.525 58.200 -0.141 0.000 0.953 6079 S CB -0.076 63.037 63.200 -0.146 0.000 0.810 6079 S HN 0.609 nan 8.310 nan 0.000 0.497 6080 A N 2.009 124.734 122.820 -0.158 0.000 1.898 6080 A HA 0.172 4.491 4.320 -0.001 0.000 0.216 6080 A C 2.335 179.803 177.584 -0.194 0.000 1.181 6080 A CA 1.573 53.588 52.037 -0.036 0.000 0.620 6080 A CB -1.112 17.971 19.000 0.138 0.000 0.819 6080 A HN 0.479 nan 8.150 nan 0.000 0.442 6081 A N 0.146 122.747 122.820 -0.365 0.000 1.873 6081 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 6081 A C 2.201 179.385 177.584 -0.668 0.000 1.193 6081 A CA 2.401 54.132 52.037 -0.510 0.000 0.629 6081 A CB -0.529 17.803 19.000 -1.114 0.000 0.826 6081 A HN 0.487 nan 8.150 nan 0.000 0.447 6082 R N 0.385 120.508 120.500 -0.628 0.000 2.096 6082 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 6082 R C 2.028 178.257 176.300 -0.118 0.000 1.127 6082 R CA 1.914 57.783 56.100 -0.385 0.000 0.968 6082 R CB -0.725 29.526 30.300 -0.082 0.000 0.861 6082 R HN 0.745 nan 8.270 nan 0.000 0.440 6083 N N -0.168 118.466 118.700 -0.109 0.000 2.244 6083 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 6083 N C 1.631 177.122 175.510 -0.033 0.000 1.016 6083 N CA 1.268 54.309 53.050 -0.016 0.000 0.866 6083 N CB 0.038 38.519 38.487 -0.010 0.000 0.980 6083 N HN 0.284 nan 8.380 nan 0.000 0.430 6084 I N 1.084 121.539 120.570 -0.193 0.000 2.315 6084 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 6084 I C 2.701 178.635 176.117 -0.306 0.000 1.117 6084 I CA 0.904 61.969 61.300 -0.391 0.000 1.404 6084 I CB -0.371 37.092 38.000 -0.895 0.000 1.071 6084 I HN 0.329 nan 8.210 nan 0.000 0.419 6085 Q N 0.720 120.402 119.800 -0.197 0.000 2.077 6085 Q HA -0.291 4.048 4.340 -0.001 0.000 0.206 6085 Q C 2.063 178.023 176.000 -0.066 0.000 0.989 6085 Q CA 2.086 57.861 55.803 -0.048 0.000 0.853 6085 Q CB -0.136 28.608 28.738 0.010 0.000 0.907 6085 Q HN 0.558 nan 8.270 nan 0.000 0.418 6086 H N -0.271 118.796 119.070 -0.004 0.000 2.462 6086 H HA 0.011 4.566 4.556 -0.001 0.000 0.292 6086 H C 1.859 177.220 175.328 0.055 0.000 1.049 6086 H CA 1.211 57.283 56.048 0.040 0.000 1.334 6086 H CB 0.165 29.935 29.762 0.013 0.000 1.404 6086 H HN 0.216 nan 8.280 nan 0.000 0.544 6087 L N -0.255 121.026 121.223 0.097 0.000 2.005 6087 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 6087 L C 1.984 178.930 176.870 0.127 0.000 1.072 6087 L CA 1.135 56.017 54.840 0.070 0.000 0.744 6087 L CB -0.303 41.734 42.059 -0.035 0.000 0.895 6087 L HN 0.311 nan 8.230 nan 0.000 0.433 6088 L N -1.876 119.388 121.223 0.069 0.000 2.056 6088 L HA -0.254 4.085 4.340 -0.001 0.000 0.207 6088 L C 2.428 179.360 176.870 0.104 0.000 1.078 6088 L CA 1.232 56.151 54.840 0.133 0.000 0.749 6088 L CB -0.494 41.586 42.059 0.036 0.000 0.901 6088 L HN 0.207 nan 8.230 nan 0.000 0.433 6089 Y N 0.644 120.928 120.300 -0.025 0.000 2.509 6089 Y HA -0.060 4.489 4.550 -0.001 0.000 0.293 6089 Y C 2.212 178.084 175.900 -0.046 0.000 1.133 6089 Y CA 0.769 58.824 58.100 -0.074 0.000 1.283 6089 Y CB -0.227 38.158 38.460 -0.125 0.000 1.001 6089 Y HN 0.079 nan 8.280 nan 0.000 0.555 6090 G N -0.069 108.810 108.800 0.133 0.000 2.440 6090 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 6090 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 6090 G C 1.283 176.189 174.900 0.010 0.000 1.154 6090 G CA 0.527 45.691 45.100 0.107 0.000 0.767 6090 G HN 0.270 nan 8.290 nan 0.000 0.552 6091 K N 0.435 120.801 120.400 -0.058 0.000 2.994 6091 K HA 0.182 4.501 4.320 -0.001 0.000 0.231 6091 K C 1.786 178.264 176.600 -0.203 0.000 1.174 6091 K CA -0.452 55.746 56.287 -0.149 0.000 1.221 6091 K CB 0.542 32.795 32.500 -0.411 0.000 1.166 6091 K HN 0.090 nan 8.250 nan 0.000 0.453 6092 R N 0.223 120.492 120.500 -0.385 0.000 2.120 6092 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 6092 R C 0.413 176.332 176.300 -0.635 0.000 1.123 6092 R CA 1.702 57.333 56.100 -0.782 0.000 0.975 6092 R CB -0.077 29.278 30.300 -1.575 0.000 0.866 6092 R HN 0.096 nan 8.270 nan 0.000 0.446 6093 F N -0.701 119.214 119.950 -0.058 0.000 2.837 6093 F HA 0.359 4.885 4.527 -0.001 0.000 0.298 6093 F C -0.289 175.599 175.800 0.146 0.000 1.161 6093 F CA -0.360 57.651 58.000 0.017 0.000 1.353 6093 F CB 0.475 39.473 39.000 -0.004 0.000 0.951 6093 F HN -0.083 nan 8.300 nan 0.000 0.508 6094 F N 0.879 120.859 119.950 0.050 0.000 3.098 6094 F HA 0.237 4.763 4.527 -0.001 0.000 0.473 6094 F C -3.155 172.658 175.800 0.021 0.000 0.900 6094 F CA -2.482 55.553 58.000 0.059 0.000 1.207 6094 F CB -0.487 38.522 39.000 0.015 0.000 2.914 6094 F HN -0.155 nan 8.300 nan 0.000 0.504 6095 P HA 0.137 nan 4.420 nan 0.000 0.272 6095 P C -0.781 176.479 177.300 -0.067 0.000 1.240 6095 P CA 0.285 63.377 63.100 -0.014 0.000 0.791 6095 P CB 0.457 32.201 31.700 0.072 0.000 0.978 6096 Y N -0.102 120.209 120.300 0.017 0.000 2.587 6096 Y HA 0.082 4.631 4.550 -0.001 0.000 0.344 6096 Y C 0.697 176.606 175.900 0.016 0.000 1.061 6096 Y CA 0.281 58.390 58.100 0.015 0.000 1.370 6096 Y CB -0.690 37.741 38.460 -0.048 0.000 1.163 6096 Y HN 0.323 nan 8.280 nan 0.000 0.527 6097 Y N 5.121 125.404 120.300 -0.029 0.000 2.518 6097 Y HA 0.380 4.929 4.550 -0.001 0.000 0.337 6097 Y C -0.236 175.669 175.900 0.009 0.000 1.261 6097 Y CA -0.708 57.294 58.100 -0.163 0.000 1.856 6097 Y CB -0.414 37.704 38.460 -0.570 0.000 1.798 6097 Y HN 0.316 nan 8.280 nan 0.000 0.440 6098 V N 1.297 121.151 119.914 -0.100 0.000 2.777 6098 V HA 0.351 4.470 4.120 -0.001 0.000 0.306 6098 V C -1.082 174.973 176.094 -0.066 0.000 1.112 6098 V CA -1.158 61.104 62.300 -0.063 0.000 0.917 6098 V CB 1.307 33.124 31.823 -0.009 0.000 1.018 6098 V HN 0.539 nan 8.190 nan 0.000 0.426 6099 H N 2.838 121.840 119.070 -0.113 0.000 2.742 6099 H HA 0.686 5.241 4.556 -0.001 0.000 0.302 6099 H C 0.026 175.359 175.328 0.007 0.000 1.069 6099 H CA 1.122 57.143 56.048 -0.045 0.000 1.446 6099 H CB 1.146 30.876 29.762 -0.054 0.000 1.462 6099 H HN 1.166 nan 8.280 nan 0.000 0.499 6100 T N 5.856 120.265 114.554 -0.242 0.000 2.861 6100 T HA 0.535 4.885 4.350 -0.001 0.000 0.287 6100 T C -0.945 173.797 174.700 0.069 0.000 1.003 6100 T CA -0.791 61.271 62.100 -0.064 0.000 0.977 6100 T CB 0.428 69.213 68.868 -0.138 0.000 0.996 6100 T HN 0.564 nan 8.240 nan 0.000 0.448 6101 I N 5.868 126.495 120.570 0.096 0.000 2.582 6101 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 6101 I C -0.235 175.952 176.117 0.117 0.000 1.066 6101 I CA -1.291 60.095 61.300 0.143 0.000 1.053 6101 I CB 2.109 40.179 38.000 0.118 0.000 1.241 6101 I HN 0.709 nan 8.210 nan 0.000 0.421 6102 I N 2.411 123.083 120.570 0.169 0.000 2.846 6102 I HA 1.007 5.177 4.170 -0.001 0.000 0.307 6102 I C -0.826 175.364 176.117 0.120 0.000 1.053 6102 I CA -0.578 60.784 61.300 0.103 0.000 1.050 6102 I CB 2.259 40.291 38.000 0.053 0.000 1.239 6102 I HN 0.616 nan 8.210 nan 0.000 0.439 6103 A N 2.803 125.677 122.820 0.089 0.000 2.520 6103 A HA 0.971 5.290 4.320 -0.001 0.000 0.298 6103 A C -0.402 177.230 177.584 0.080 0.000 1.051 6103 A CA 0.088 52.171 52.037 0.076 0.000 0.690 6103 A CB 1.535 20.563 19.000 0.047 0.000 1.281 6103 A HN 1.381 nan 8.150 nan 0.000 0.402 6104 G N -0.231 108.614 108.800 0.075 0.000 2.562 6104 G HA2 0.522 4.481 3.960 -0.001 0.000 0.190 6104 G HA3 0.522 4.481 3.960 -0.001 0.000 0.190 6104 G C -1.812 173.125 174.900 0.061 0.000 1.196 6104 G CA -0.526 44.620 45.100 0.077 0.000 0.986 6104 G HN 0.896 nan 8.290 nan 0.000 0.512 6105 L N 2.105 123.370 121.223 0.070 0.000 2.362 6105 L HA 0.393 4.732 4.340 -0.001 0.000 0.275 6105 L C -0.605 176.305 176.870 0.067 0.000 0.998 6105 L CA -1.066 53.808 54.840 0.056 0.000 0.820 6105 L CB 1.948 44.043 42.059 0.060 0.000 1.270 6105 L HN 0.794 nan 8.230 nan 0.000 0.415 6106 D N 1.282 121.715 120.400 0.055 0.000 2.371 6106 D HA -0.021 4.618 4.640 -0.001 0.000 0.242 6106 D C 0.603 176.936 176.300 0.054 0.000 1.218 6106 D CA -0.347 53.694 54.000 0.068 0.000 0.945 6106 D CB 0.814 41.647 40.800 0.055 0.000 1.137 6106 D HN 0.531 nan 8.370 nan 0.000 0.464 6107 E N -0.817 119.417 120.200 0.057 0.000 2.396 6107 E HA -0.164 4.185 4.350 -0.001 0.000 0.200 6107 E C 0.358 176.981 176.600 0.039 0.000 1.023 6107 E CA 0.892 57.322 56.400 0.049 0.000 0.857 6107 E CB 0.066 29.796 29.700 0.050 0.000 0.775 6107 E HN 0.392 nan 8.360 nan 0.000 0.525 6108 D N -1.374 119.045 120.400 0.032 0.000 2.350 6108 D HA 0.070 4.710 4.640 -0.001 0.000 0.213 6108 D C 1.263 177.577 176.300 0.024 0.000 1.031 6108 D CA 0.773 54.787 54.000 0.023 0.000 0.861 6108 D CB 0.811 41.618 40.800 0.012 0.000 0.926 6108 D HN 0.277 nan 8.370 nan 0.000 0.520 6109 G N 0.408 109.226 108.800 0.030 0.000 2.234 6109 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.235 6109 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.235 6109 G C 0.499 175.418 174.900 0.031 0.000 0.997 6109 G CA -0.162 44.960 45.100 0.036 0.000 0.623 6109 G HN 0.149 nan 8.290 nan 0.000 0.514 6110 K N 1.413 121.818 120.400 0.009 0.000 2.219 6110 K HA 0.480 4.799 4.320 -0.001 0.000 0.258 6110 K C 1.051 177.629 176.600 -0.036 0.000 1.008 6110 K CA 0.268 56.544 56.287 -0.019 0.000 0.928 6110 K CB 0.331 32.801 32.500 -0.049 0.000 0.983 6110 K HN 0.458 nan 8.250 nan 0.000 0.484 6111 G N -0.179 108.570 108.800 -0.085 0.000 2.467 6111 G HA2 0.461 4.421 3.960 -0.001 0.000 0.257 6111 G HA3 0.461 4.421 3.960 -0.001 0.000 0.257 6111 G C -0.835 173.983 174.900 -0.136 0.000 1.227 6111 G CA -0.330 44.698 45.100 -0.119 0.000 0.835 6111 G HN 0.576 nan 8.290 nan 0.000 0.556 6112 A N 0.859 123.614 122.820 -0.108 0.000 2.449 6112 A HA 0.760 5.079 4.320 -0.001 0.000 0.302 6112 A C -1.089 176.406 177.584 -0.149 0.000 1.048 6112 A CA -0.516 51.426 52.037 -0.159 0.000 0.708 6112 A CB 2.216 21.160 19.000 -0.095 0.000 1.274 6112 A HN 1.094 nan 8.150 nan 0.000 0.410 6113 V N 1.900 121.651 119.914 -0.272 0.000 2.760 6113 V HA 0.512 4.631 4.120 -0.001 0.000 0.309 6113 V C -1.574 174.311 176.094 -0.349 0.000 1.077 6113 V CA -0.390 61.799 62.300 -0.184 0.000 0.910 6113 V CB 1.761 33.514 31.823 -0.116 0.000 1.008 6113 V HN 0.835 nan 8.190 nan 0.000 0.424 6114 Y N 1.985 122.243 120.300 -0.071 0.000 2.446 6114 Y HA 0.677 5.227 4.550 -0.001 0.000 0.345 6114 Y C 0.439 176.173 175.900 -0.277 0.000 0.984 6114 Y CA -0.372 57.617 58.100 -0.185 0.000 1.058 6114 Y CB 2.342 40.688 38.460 -0.189 0.000 1.220 6114 Y HN 0.618 nan 8.280 nan 0.000 0.455 6115 S N 2.643 118.177 115.700 -0.276 0.000 2.568 6115 S HA 0.828 5.298 4.470 -0.001 0.000 0.302 6115 S C -1.481 172.742 174.600 -0.628 0.000 1.082 6115 S CA -0.405 57.612 58.200 -0.305 0.000 1.009 6115 S CB 0.657 63.798 63.200 -0.099 0.000 1.069 6115 S HN 0.421 nan 8.310 nan 0.000 0.500 6116 F N 1.072 120.859 119.950 -0.272 0.000 2.576 6116 F HA 0.449 4.975 4.527 -0.001 0.000 0.313 6116 F C 0.471 176.115 175.800 -0.259 0.000 1.078 6116 F CA -0.901 56.985 58.000 -0.190 0.000 0.921 6116 F CB 1.457 40.355 39.000 -0.171 0.000 1.232 6116 F HN 0.497 nan 8.300 nan 0.000 0.459 6117 D N 2.029 122.487 120.400 0.097 0.000 2.346 6117 D HA 0.168 4.808 4.640 -0.001 0.000 0.249 6117 D C -1.602 174.722 176.300 0.040 0.000 1.308 6117 D CA -1.259 52.778 54.000 0.061 0.000 0.987 6117 D CB 0.425 41.275 40.800 0.083 0.000 1.114 6117 D HN 0.178 nan 8.370 nan 0.000 0.529 6118 P HA -0.002 nan 4.420 nan 0.000 0.240 6118 P C 0.769 178.087 177.300 0.030 0.000 1.190 6118 P CA 0.558 63.657 63.100 -0.001 0.000 0.781 6118 P CB 0.336 32.001 31.700 -0.058 0.000 0.931 6119 V N -5.820 114.115 119.914 0.035 0.000 3.528 6119 V HA 0.616 4.735 4.120 -0.001 0.000 0.294 6119 V C 1.271 177.457 176.094 0.154 0.000 1.404 6119 V CA 0.359 62.669 62.300 0.017 0.000 1.065 6119 V CB -0.587 31.201 31.823 -0.058 0.000 0.904 6119 V HN 0.215 nan 8.190 nan 0.000 0.435 6120 G N 0.410 109.314 108.800 0.173 0.000 2.148 6120 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.203 6120 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.203 6120 G C 0.242 175.313 174.900 0.286 0.000 0.993 6120 G CA 0.222 45.471 45.100 0.248 0.000 0.661 6120 G HN 0.956 nan 8.290 nan 0.000 0.518 6121 S N 0.593 116.414 115.700 0.202 0.000 2.525 6121 S HA 0.506 4.975 4.470 -0.001 0.000 0.285 6121 S C 0.154 174.843 174.600 0.150 0.000 1.283 6121 S CA 0.332 58.611 58.200 0.132 0.000 1.072 6121 S CB -0.082 63.156 63.200 0.063 0.000 0.867 6121 S HN 1.512 nan 8.310 nan 0.000 0.492 6122 Y N 2.131 122.388 120.300 -0.073 0.000 2.425 6122 Y HA 0.863 5.413 4.550 -0.001 0.000 0.344 6122 Y C -0.578 175.218 175.900 -0.174 0.000 0.969 6122 Y CA -1.213 56.715 58.100 -0.286 0.000 1.052 6122 Y CB 1.174 39.355 38.460 -0.464 0.000 1.215 6122 Y HN 0.527 nan 8.280 nan 0.000 0.451 6123 E N 2.040 122.133 120.200 -0.179 0.000 2.367 6123 E HA 0.439 4.788 4.350 -0.001 0.000 0.273 6123 E C -1.454 175.104 176.600 -0.071 0.000 0.903 6123 E CA -1.164 55.137 56.400 -0.165 0.000 0.764 6123 E CB 1.920 31.528 29.700 -0.153 0.000 1.252 6123 E HN 0.735 nan 8.360 nan 0.000 0.446 6124 R N 1.748 122.176 120.500 -0.121 0.000 2.390 6124 R HA 0.314 4.654 4.340 -0.001 0.000 0.291 6124 R C -0.679 175.446 176.300 -0.293 0.000 1.070 6124 R CA -0.007 55.851 56.100 -0.403 0.000 1.014 6124 R CB 0.717 30.710 30.300 -0.511 0.000 1.007 6124 R HN 0.517 nan 8.270 nan 0.000 0.466 6125 E N 1.273 121.288 120.200 -0.307 0.000 2.336 6125 E HA 0.044 4.393 4.350 -0.001 0.000 0.267 6125 E C -0.123 176.364 176.600 -0.190 0.000 0.906 6125 E CA -0.549 55.734 56.400 -0.195 0.000 0.781 6125 E CB 2.095 31.716 29.700 -0.131 0.000 1.261 6125 E HN 0.638 nan 8.360 nan 0.000 0.436 6126 Q N 1.012 120.726 119.800 -0.144 0.000 2.061 6126 Q HA 0.060 4.399 4.340 -0.001 0.000 0.195 6126 Q C -0.303 175.640 176.000 -0.096 0.000 0.967 6126 Q CA 1.171 56.896 55.803 -0.130 0.000 0.829 6126 Q CB 0.311 28.981 28.738 -0.114 0.000 0.900 6126 Q HN 0.538 nan 8.270 nan 0.000 0.450 6127 C N -0.075 119.180 119.300 -0.075 0.000 2.832 6127 C HA 0.846 5.305 4.460 -0.001 0.000 0.383 6127 C C -1.198 173.771 174.990 -0.035 0.000 1.046 6127 C CA -1.206 57.784 59.018 -0.047 0.000 1.242 6127 C CB 0.982 28.701 27.740 -0.035 0.000 1.693 6127 C HN 0.506 nan 8.230 nan 0.000 0.497 6128 R N 2.633 123.127 120.500 -0.011 0.000 2.686 6128 R HA 0.861 5.200 4.340 -0.001 0.000 0.286 6128 R C -0.470 175.844 176.300 0.023 0.000 0.969 6128 R CA 0.213 56.317 56.100 0.008 0.000 0.898 6128 R CB 1.833 32.159 30.300 0.043 0.000 1.183 6128 R HN 1.401 nan 8.270 nan 0.000 0.456 6129 A N 1.884 124.694 122.820 -0.017 0.000 2.325 6129 A HA 0.815 5.135 4.320 -0.001 0.000 0.333 6129 A C -0.479 177.026 177.584 -0.131 0.000 1.155 6129 A CA -0.306 51.708 52.037 -0.039 0.000 0.814 6129 A CB 1.529 20.483 19.000 -0.078 0.000 1.206 6129 A HN 0.812 nan 8.150 nan 0.000 0.482 6130 G N -0.877 107.849 108.800 -0.123 0.000 2.569 6130 G HA2 0.828 4.787 3.960 -0.001 0.000 0.300 6130 G HA3 0.828 4.787 3.960 -0.001 0.000 0.300 6130 G C 0.070 174.877 174.900 -0.155 0.000 1.269 6130 G CA -0.088 44.815 45.100 -0.328 0.000 0.959 6130 G HN 2.274 nan 8.290 nan 0.000 0.478 6131 G N -1.157 107.543 108.800 -0.166 0.000 2.526 6131 G HA2 0.380 4.339 3.960 -0.001 0.000 0.250 6131 G HA3 0.380 4.339 3.960 -0.001 0.000 0.250 6131 G C 1.021 175.852 174.900 -0.115 0.000 1.289 6131 G CA 0.533 45.577 45.100 -0.094 0.000 0.947 6131 G HN 1.833 nan 8.290 nan 0.000 0.517 6132 A N -0.651 122.092 122.820 -0.129 0.000 1.873 6132 A HA 0.478 4.797 4.320 -0.001 0.000 0.215 6132 A C 2.616 180.110 177.584 -0.151 0.000 1.186 6132 A CA 2.930 54.898 52.037 -0.116 0.000 0.616 6132 A CB -0.758 18.141 19.000 -0.168 0.000 0.823 6132 A HN 2.442 nan 8.150 nan 0.000 0.442 6133 A N -0.497 122.121 122.820 -0.337 0.000 2.327 6133 A HA 0.546 4.866 4.320 -0.001 0.000 0.228 6133 A C 1.900 179.384 177.584 -0.167 0.000 1.275 6133 A CA 0.974 52.865 52.037 -0.243 0.000 0.875 6133 A CB -0.846 17.947 19.000 -0.344 0.000 0.925 6133 A HN 0.861 nan 8.150 nan 0.000 0.493 6134 A N 0.671 123.405 122.820 -0.143 0.000 1.917 6134 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 6134 A C 2.438 179.967 177.584 -0.092 0.000 1.182 6134 A CA 2.230 54.187 52.037 -0.134 0.000 0.633 6134 A CB -0.894 18.015 19.000 -0.152 0.000 0.819 6134 A HN 0.939 nan 8.150 nan 0.000 0.448 6135 S N -0.655 115.011 115.700 -0.058 0.000 2.447 6135 S HA -0.020 4.449 4.470 -0.001 0.000 0.233 6135 S C 1.309 175.896 174.600 -0.020 0.000 1.006 6135 S CA 1.337 59.519 58.200 -0.029 0.000 0.957 6135 S CB -0.311 62.884 63.200 -0.008 0.000 0.773 6135 S HN 0.272 nan 8.310 nan 0.000 0.507 6136 L N 0.287 121.490 121.223 -0.034 0.000 2.529 6136 L HA 0.420 4.759 4.340 -0.001 0.000 0.223 6136 L C 1.853 178.692 176.870 -0.051 0.000 1.113 6136 L CA 0.695 55.513 54.840 -0.037 0.000 0.861 6136 L CB -0.500 41.534 42.059 -0.042 0.000 1.012 6136 L HN 0.328 nan 8.230 nan 0.000 0.461 6137 I N -2.159 118.371 120.570 -0.067 0.000 2.681 6137 I HA -0.082 4.087 4.170 -0.001 0.000 0.247 6137 I C 2.117 178.266 176.117 0.053 0.000 1.091 6137 I CA 0.217 61.495 61.300 -0.036 0.000 1.442 6137 I CB -0.120 37.788 38.000 -0.154 0.000 1.219 6137 I HN 0.079 nan 8.210 nan 0.000 0.451 6138 M N 0.863 120.461 119.600 -0.003 0.000 2.089 6138 M HA -0.157 4.322 4.480 -0.001 0.000 0.257 6138 M C -0.305 176.003 176.300 0.013 0.000 1.071 6138 M CA 2.340 57.638 55.300 -0.004 0.000 1.096 6138 M CB -2.596 29.987 32.600 -0.029 0.000 1.330 6138 M HN 0.043 nan 8.290 nan 0.000 0.403 6139 P HA -0.187 nan 4.420 nan 0.000 0.214 6139 P C 1.743 179.081 177.300 0.065 0.000 1.163 6139 P CA 1.233 64.357 63.100 0.041 0.000 0.889 6139 P CB -0.438 31.294 31.700 0.054 0.000 0.790 6140 F N 0.032 119.962 119.950 -0.034 0.000 2.126 6140 F HA -0.198 4.328 4.527 -0.002 0.000 0.299 6140 F C 1.868 177.648 175.800 -0.033 0.000 1.096 6140 F CA 1.411 59.395 58.000 -0.028 0.000 1.255 6140 F CB -1.026 37.953 39.000 -0.035 0.000 0.997 6140 F HN -0.252 nan 8.300 nan 0.000 0.479 6141 L N 0.792 121.921 121.223 -0.156 0.000 2.017 6141 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 6141 L C 2.147 178.866 176.870 -0.251 0.000 1.073 6141 L CA 1.825 56.511 54.840 -0.258 0.000 0.745 6141 L CB -1.319 40.691 42.059 -0.082 0.000 0.894 6141 L HN 0.091 nan 8.230 nan 0.000 0.432 6142 D N -0.896 119.414 120.400 -0.150 0.000 2.203 6142 D HA -0.242 4.397 4.640 -0.001 0.000 0.199 6142 D C 1.991 178.203 176.300 -0.147 0.000 0.997 6142 D CA 1.224 55.148 54.000 -0.126 0.000 0.863 6142 D CB -0.176 40.584 40.800 -0.067 0.000 0.928 6142 D HN 0.473 nan 8.370 nan 0.000 0.458 6143 N N -0.270 118.329 118.700 -0.168 0.000 2.278 6143 N HA -0.084 4.655 4.740 -0.001 0.000 0.181 6143 N C 1.239 176.660 175.510 -0.148 0.000 1.023 6143 N CA 0.479 53.459 53.050 -0.117 0.000 0.862 6143 N CB 0.296 38.739 38.487 -0.073 0.000 1.003 6143 N HN 0.033 nan 8.380 nan 0.000 0.431 6144 Q N 0.245 119.829 119.800 -0.360 0.000 2.360 6144 Q HA 0.127 4.466 4.340 -0.001 0.000 0.202 6144 Q C 1.417 177.160 176.000 -0.428 0.000 0.915 6144 Q CA 0.181 55.790 55.803 -0.323 0.000 0.943 6144 Q CB 1.201 29.602 28.738 -0.561 0.000 1.064 6144 Q HN 0.276 nan 8.270 nan 0.000 0.511 6145 V N 0.535 120.132 119.914 -0.529 0.000 2.911 6145 V HA 0.042 4.161 4.120 -0.001 0.000 0.237 6145 V C 0.995 176.641 176.094 -0.747 0.000 1.156 6145 V CA 0.622 62.571 62.300 -0.585 0.000 1.180 6145 V CB 0.270 31.898 31.823 -0.325 0.000 0.932 6145 V HN 0.223 nan 8.190 nan 0.000 0.483 6146 N N 0.191 118.583 118.700 -0.512 0.000 2.270 6146 N HA 0.121 4.860 4.740 -0.001 0.000 0.198 6146 N C -0.073 175.280 175.510 -0.262 0.000 1.117 6146 N CA -0.066 52.771 53.050 -0.355 0.000 0.845 6146 N CB 0.179 38.562 38.487 -0.173 0.000 0.980 6146 N HN 0.351 nan 8.380 nan 0.000 0.486 6147 F N 0.666 120.569 119.950 -0.078 0.000 2.783 6147 F HA -0.277 4.250 4.527 -0.000 0.000 0.222 6147 F C 0.727 176.476 175.800 -0.085 0.000 1.028 6147 F CA 0.338 58.289 58.000 -0.082 0.000 0.862 6147 F CB -1.860 37.096 39.000 -0.074 0.000 0.744 6147 F HN -0.154 nan 8.300 nan 0.000 0.850 6148 K N 0.405 120.828 120.400 0.039 0.000 2.168 6148 K HA 0.195 4.514 4.320 -0.001 0.000 0.258 6148 K C 1.152 177.776 176.600 0.039 0.000 1.010 6148 K CA -0.168 56.125 56.287 0.010 0.000 0.929 6148 K CB 0.403 32.895 32.500 -0.013 0.000 0.998 6148 K HN 0.435 nan 8.250 nan 0.000 0.479 6149 N N 0.305 119.034 118.700 0.047 0.000 2.690 6149 N HA -0.253 4.486 4.740 -0.001 0.000 0.249 6149 N C -0.725 174.902 175.510 0.195 0.000 1.125 6149 N CA 0.903 54.039 53.050 0.143 0.000 0.794 6149 N CB -0.421 38.135 38.487 0.115 0.000 1.152 6149 N HN 0.466 nan 8.380 nan 0.000 0.571 6150 Q N 0.037 119.886 119.800 0.082 0.000 2.307 6150 Q HA 0.389 4.728 4.340 -0.001 0.000 0.262 6150 Q C -0.999 174.983 176.000 -0.030 0.000 0.961 6150 Q CA -0.296 55.561 55.803 0.090 0.000 0.882 6150 Q CB 1.031 29.802 28.738 0.055 0.000 1.264 6150 Q HN 0.197 nan 8.270 nan 0.000 0.446 6151 Y N 0.274 120.568 120.300 -0.009 0.000 2.621 6151 Y HA 0.204 4.753 4.550 -0.002 0.000 0.334 6151 Y C 0.418 176.298 175.900 -0.034 0.000 1.074 6151 Y CA -0.994 57.096 58.100 -0.015 0.000 1.149 6151 Y CB 1.161 39.616 38.460 -0.008 0.000 1.302 6151 Y HN 0.414 nan 8.280 nan 0.000 0.501 6152 E N 2.834 123.100 120.200 0.109 0.000 2.324 6152 E HA 0.179 4.528 4.350 -0.001 0.000 0.271 6152 E C -2.442 174.194 176.600 0.060 0.000 1.028 6152 E CA -1.777 54.649 56.400 0.043 0.000 0.890 6152 E CB 0.493 30.206 29.700 0.021 0.000 1.004 6152 E HN 0.256 nan 8.360 nan 0.000 0.431 6153 P HA -0.015 nan 4.420 nan 0.000 0.265 6153 P C 0.517 177.825 177.300 0.014 0.000 1.187 6153 P CA 0.494 63.605 63.100 0.019 0.000 0.766 6153 P CB 0.433 32.134 31.700 0.002 0.000 0.820 6154 G N 2.384 111.190 108.800 0.009 0.000 2.283 6154 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.280 6154 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.280 6154 G C 0.565 175.470 174.900 0.009 0.000 1.029 6154 G CA 0.714 45.816 45.100 0.003 0.000 0.840 6154 G HN 0.733 nan 8.290 nan 0.000 0.505 6155 T N -2.997 111.569 114.554 0.021 0.000 3.174 6155 T HA 0.324 4.673 4.350 -0.001 0.000 0.269 6155 T C 1.218 175.930 174.700 0.021 0.000 1.017 6155 T CA 0.824 62.941 62.100 0.029 0.000 0.899 6155 T CB 0.015 68.915 68.868 0.053 0.000 1.077 6155 T HN 1.081 nan 8.240 nan 0.000 0.552 6156 N N 1.499 120.196 118.700 -0.005 0.000 1.910 6156 N HA -0.242 4.497 4.740 -0.001 0.000 0.214 6156 N C 0.858 176.314 175.510 -0.090 0.000 1.113 6156 N CA 2.123 55.151 53.050 -0.036 0.000 3.595 6156 N CB -1.477 36.995 38.487 -0.024 0.000 0.733 6156 N HN 1.255 nan 8.380 nan 0.000 0.352 6157 G N 0.003 108.762 108.800 -0.068 0.000 2.370 6157 G HA2 0.036 3.996 3.960 -0.001 0.000 0.225 6157 G HA3 0.036 3.996 3.960 -0.001 0.000 0.225 6157 G C 0.319 175.243 174.900 0.041 0.000 1.109 6157 G CA 0.400 45.355 45.100 -0.242 0.000 0.871 6157 G HN 0.365 nan 8.290 nan 0.000 0.498 6158 K N -0.471 120.042 120.400 0.187 0.000 2.435 6158 K HA 0.332 4.651 4.320 -0.001 0.000 0.199 6158 K C 0.687 177.392 176.600 0.175 0.000 1.153 6158 K CA 0.231 56.622 56.287 0.173 0.000 0.974 6158 K CB 1.492 34.039 32.500 0.079 0.000 0.997 6158 K HN 0.327 nan 8.250 nan 0.000 0.547 6159 V N 4.206 124.229 119.914 0.182 0.000 2.328 6159 V HA 0.207 4.327 4.120 -0.001 0.000 0.278 6159 V C 0.106 176.194 176.094 -0.010 0.000 1.021 6159 V CA -0.935 61.409 62.300 0.073 0.000 0.838 6159 V CB 1.227 33.078 31.823 0.047 0.000 0.999 6159 V HN 0.046 nan 8.190 nan 0.000 0.447 6160 K N 3.583 123.884 120.400 -0.165 0.000 2.382 6160 K HA 0.164 4.484 4.320 -0.001 0.000 0.275 6160 K C 0.270 176.756 176.600 -0.191 0.000 1.009 6160 K CA -0.395 55.673 56.287 -0.366 0.000 0.970 6160 K CB 0.996 33.314 32.500 -0.304 0.000 0.934 6160 K HN 0.535 nan 8.250 nan 0.000 0.479 6161 K N 4.550 124.834 120.400 -0.195 0.000 2.472 6161 K HA 0.021 4.340 4.320 -0.001 0.000 0.280 6161 K C -2.017 174.527 176.600 -0.094 0.000 1.028 6161 K CA -1.145 55.055 56.287 -0.146 0.000 1.045 6161 K CB 0.288 32.668 32.500 -0.200 0.000 0.902 6161 K HN 0.299 nan 8.250 nan 0.000 0.478 6162 P HA -0.040 nan 4.420 nan 0.000 0.266 6162 P C -0.448 176.908 177.300 0.094 0.000 1.215 6162 P CA 0.053 63.148 63.100 -0.008 0.000 0.763 6162 P CB 0.471 32.155 31.700 -0.027 0.000 0.806 6163 L N 3.719 125.058 121.223 0.194 0.000 2.562 6163 L HA 0.060 4.399 4.340 -0.001 0.000 0.271 6163 L C 1.262 178.310 176.870 0.296 0.000 1.167 6163 L CA 0.647 55.689 54.840 0.337 0.000 0.917 6163 L CB -0.113 42.056 42.059 0.184 0.000 1.187 6163 L HN 0.379 nan 8.230 nan 0.000 0.482 6164 K N 3.185 123.848 120.400 0.438 0.000 2.139 6164 K HA 0.355 4.674 4.320 -0.001 0.000 0.243 6164 K C -1.378 175.421 176.600 0.332 0.000 0.983 6164 K CA -0.666 55.798 56.287 0.296 0.000 0.890 6164 K CB 1.121 33.766 32.500 0.242 0.000 1.090 6164 K HN 0.334 nan 8.250 nan 0.000 0.445 6165 Y N 1.396 121.753 120.300 0.095 0.000 2.409 6165 Y HA 0.363 4.912 4.550 -0.001 0.000 0.339 6165 Y C -0.822 175.141 175.900 0.105 0.000 1.033 6165 Y CA -0.935 57.215 58.100 0.083 0.000 1.094 6165 Y CB 1.298 39.794 38.460 0.061 0.000 1.210 6165 Y HN 0.339 nan 8.280 nan 0.000 0.456 6166 L N 3.553 124.494 121.223 -0.470 0.000 2.317 6166 L HA 0.514 4.853 4.340 -0.001 0.000 0.281 6166 L C 0.037 176.893 176.870 -0.024 0.000 1.024 6166 L CA -0.940 53.754 54.840 -0.243 0.000 0.810 6166 L CB 1.587 43.417 42.059 -0.381 0.000 1.240 6166 L HN 0.579 nan 8.230 nan 0.000 0.427 6167 S N 0.737 116.411 115.700 -0.045 0.000 2.568 6167 S HA 0.027 4.496 4.470 -0.001 0.000 0.282 6167 S C 1.216 175.682 174.600 -0.224 0.000 1.338 6167 S CA -0.492 57.635 58.200 -0.121 0.000 1.045 6167 S CB 1.429 64.568 63.200 -0.101 0.000 0.873 6167 S HN 0.544 nan 8.310 nan 0.000 0.516 6168 V N 1.980 121.505 119.914 -0.648 0.000 2.527 6168 V HA -0.247 3.872 4.120 -0.001 0.000 0.255 6168 V C 2.157 178.131 176.094 -0.200 0.000 1.081 6168 V CA 2.522 64.395 62.300 -0.711 0.000 1.092 6168 V CB -0.982 30.295 31.823 -0.909 0.000 0.673 6168 V HN 0.961 nan 8.190 nan 0.000 0.470 6169 E N -0.422 119.685 120.200 -0.156 0.000 2.208 6169 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 6169 E C 2.122 178.701 176.600 -0.036 0.000 0.988 6169 E CA 1.333 57.691 56.400 -0.069 0.000 0.828 6169 E CB -0.065 29.598 29.700 -0.061 0.000 0.763 6169 E HN 0.723 nan 8.360 nan 0.000 0.478 6170 E N -0.438 119.740 120.200 -0.038 0.000 2.051 6170 E HA -0.080 4.269 4.350 -0.001 0.000 0.189 6170 E C 1.907 178.511 176.600 0.008 0.000 0.979 6170 E CA 0.603 56.993 56.400 -0.017 0.000 0.803 6170 E CB 0.145 29.826 29.700 -0.032 0.000 0.761 6170 E HN -0.000 nan 8.360 nan 0.000 0.451 6171 V N 1.083 121.020 119.914 0.037 0.000 2.282 6171 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 6171 V C 2.257 178.409 176.094 0.097 0.000 1.057 6171 V CA 1.839 64.192 62.300 0.087 0.000 1.032 6171 V CB -0.450 31.505 31.823 0.220 0.000 0.645 6171 V HN 0.342 nan 8.190 nan 0.000 0.447 6172 I N -0.592 120.029 120.570 0.086 0.000 2.194 6172 I HA -0.310 3.860 4.170 -0.001 0.000 0.246 6172 I C 2.584 178.714 176.117 0.020 0.000 1.093 6172 I CA 1.706 63.049 61.300 0.072 0.000 1.355 6172 I CB -0.342 37.698 38.000 0.066 0.000 1.046 6172 I HN 0.323 nan 8.210 nan 0.000 0.413 6173 K N 0.458 120.861 120.400 0.005 0.000 2.009 6173 K HA -0.198 4.121 4.320 -0.001 0.000 0.210 6173 K C 2.054 178.691 176.600 0.061 0.000 1.049 6173 K CA 1.442 57.728 56.287 -0.002 0.000 0.929 6173 K CB -0.355 32.147 32.500 0.004 0.000 0.714 6173 K HN 0.315 nan 8.250 nan 0.000 0.440 6174 L N 0.785 122.069 121.223 0.102 0.000 2.083 6174 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 6174 L C 2.442 179.460 176.870 0.247 0.000 1.083 6174 L CA 0.730 55.689 54.840 0.199 0.000 0.752 6174 L CB -0.499 41.631 42.059 0.118 0.000 0.899 6174 L HN 0.014 nan 8.230 nan 0.000 0.433 6175 V N 0.829 120.862 119.914 0.199 0.000 2.261 6175 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 6175 V C 2.457 178.746 176.094 0.325 0.000 1.047 6175 V CA 2.206 64.677 62.300 0.285 0.000 1.015 6175 V CB -0.669 31.297 31.823 0.238 0.000 0.642 6175 V HN 0.605 nan 8.190 nan 0.000 0.446 6176 R N -0.222 120.363 120.500 0.142 0.000 2.323 6176 R HA -0.014 4.325 4.340 -0.001 0.000 0.198 6176 R C 0.895 177.230 176.300 0.058 0.000 0.988 6176 R CA 1.154 57.294 56.100 0.068 0.000 1.041 6176 R CB -0.274 29.933 30.300 -0.156 0.000 0.926 6176 R HN 0.393 nan 8.270 nan 0.000 0.476 6177 D N 0.182 120.625 120.400 0.071 0.000 2.422 6177 D HA 0.102 4.741 4.640 -0.001 0.000 0.218 6177 D C 1.399 177.611 176.300 -0.147 0.000 1.047 6177 D CA 0.422 54.406 54.000 -0.027 0.000 0.885 6177 D CB 0.419 41.214 40.800 -0.009 0.000 1.035 6177 D HN 0.060 nan 8.370 nan 0.000 0.502 6178 S N 0.195 115.869 115.700 -0.044 0.000 2.368 6178 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 6178 S C 1.700 176.176 174.600 -0.206 0.000 1.030 6178 S CA 0.869 58.962 58.200 -0.177 0.000 0.999 6178 S CB -0.217 62.988 63.200 0.008 0.000 0.844 6178 S HN 0.192 nan 8.310 nan 0.000 0.459 6179 F N 2.102 122.018 119.950 -0.056 0.000 2.098 6179 F HA -0.084 4.442 4.527 -0.001 0.000 0.294 6179 F C 2.973 178.741 175.800 -0.052 0.000 1.107 6179 F CA 1.427 59.404 58.000 -0.038 0.000 1.234 6179 F CB -1.324 37.675 39.000 -0.001 0.000 1.002 6179 F HN 0.206 nan 8.300 nan 0.000 0.472 6180 T N -2.690 111.933 114.554 0.115 0.000 2.849 6180 T HA -0.189 4.160 4.350 -0.001 0.000 0.270 6180 T C 2.096 176.782 174.700 -0.024 0.000 1.066 6180 T CA 1.474 63.594 62.100 0.034 0.000 1.130 6180 T CB -0.741 68.125 68.868 -0.002 0.000 0.864 6180 T HN 0.117 nan 8.240 nan 0.000 0.481 6181 S N 1.829 117.474 115.700 -0.092 0.000 2.336 6181 S HA 0.112 4.581 4.470 -0.001 0.000 0.214 6181 S C 2.718 177.265 174.600 -0.089 0.000 1.032 6181 S CA 0.968 59.087 58.200 -0.135 0.000 1.001 6181 S CB -1.008 62.030 63.200 -0.269 0.000 0.953 6181 S HN 0.721 nan 8.310 nan 0.000 0.430 6182 A N 1.149 123.901 122.820 -0.115 0.000 1.927 6182 A HA -0.200 4.120 4.320 -0.001 0.000 0.220 6182 A C 2.258 179.848 177.584 0.010 0.000 1.185 6182 A CA 2.379 54.371 52.037 -0.075 0.000 0.639 6182 A CB -1.591 17.306 19.000 -0.173 0.000 0.820 6182 A HN 0.525 nan 8.150 nan 0.000 0.451 6183 T N -0.082 114.490 114.554 0.030 0.000 2.778 6183 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 6183 T C 1.730 176.464 174.700 0.057 0.000 1.050 6183 T CA 1.538 63.678 62.100 0.067 0.000 1.137 6183 T CB -0.221 68.693 68.868 0.076 0.000 0.860 6183 T HN 0.552 nan 8.240 nan 0.000 0.468 6184 E N 0.814 121.032 120.200 0.029 0.000 2.072 6184 E HA 0.014 4.363 4.350 -0.001 0.000 0.190 6184 E C 2.107 178.720 176.600 0.023 0.000 0.982 6184 E CA 0.769 57.180 56.400 0.019 0.000 0.803 6184 E CB 0.040 29.737 29.700 -0.004 0.000 0.755 6184 E HN 0.323 nan 8.360 nan 0.000 0.453 6185 R N -0.176 120.339 120.500 0.025 0.000 2.397 6185 R HA 0.183 4.522 4.340 -0.001 0.000 0.241 6185 R C 0.091 176.414 176.300 0.038 0.000 0.914 6185 R CA 0.013 56.124 56.100 0.018 0.000 1.071 6185 R CB 0.177 30.477 30.300 -0.001 0.000 1.116 6185 R HN 0.186 nan 8.270 nan 0.000 0.524 6186 H N 0.132 119.195 119.070 -0.011 0.000 2.529 6186 H HA 0.240 4.796 4.556 -0.001 0.000 0.348 6186 H C 1.372 176.706 175.328 0.010 0.000 1.079 6186 H CA -0.409 55.635 56.048 -0.007 0.000 1.198 6186 H CB 1.321 31.071 29.762 -0.020 0.000 1.521 6186 H HN -0.048 nan 8.280 nan 0.000 0.514 6187 I N 0.754 121.402 120.570 0.131 0.000 3.419 6187 I HA 0.064 4.233 4.170 -0.001 0.000 0.286 6187 I C 1.328 177.551 176.117 0.176 0.000 1.268 6187 I CA 0.574 61.949 61.300 0.125 0.000 1.414 6187 I CB 0.111 38.151 38.000 0.068 0.000 1.074 6187 I HN 0.520 nan 8.210 nan 0.000 0.457 6188 Q N 0.890 120.901 119.800 0.352 0.000 2.360 6188 Q HA 0.272 4.611 4.340 -0.001 0.000 0.202 6188 Q C -0.138 175.910 176.000 0.079 0.000 0.915 6188 Q CA 0.025 55.945 55.803 0.196 0.000 0.943 6188 Q CB 0.990 29.852 28.738 0.207 0.000 1.064 6188 Q HN 0.376 nan 8.270 nan 0.000 0.511 6189 V N -0.041 119.928 119.914 0.092 0.000 2.459 6189 V HA 0.822 4.942 4.120 -0.001 0.000 0.295 6189 V C 0.315 176.469 176.094 0.101 0.000 1.029 6189 V CA -0.085 62.253 62.300 0.063 0.000 0.874 6189 V CB 1.458 33.291 31.823 0.016 0.000 0.985 6189 V HN 0.350 nan 8.190 nan 0.000 0.438 6190 G N 2.582 111.448 108.800 0.110 0.000 2.333 6190 G HA2 0.464 4.424 3.960 -0.001 0.000 0.288 6190 G HA3 0.464 4.424 3.960 -0.001 0.000 0.288 6190 G C -0.747 174.219 174.900 0.110 0.000 1.286 6190 G CA 0.364 45.528 45.100 0.107 0.000 0.865 6190 G HN 0.525 nan 8.290 nan 0.000 0.506 6191 D N -1.675 118.789 120.400 0.106 0.000 3.562 6191 D HA -0.113 4.527 4.640 -0.001 0.000 0.214 6191 D C 0.805 177.210 176.300 0.175 0.000 1.107 6191 D CA 3.214 57.291 54.000 0.127 0.000 2.251 6191 D CB -1.460 39.416 40.800 0.127 0.000 1.226 6191 D HN 1.908 nan 8.370 nan 0.000 0.493 6192 G N -0.212 108.711 108.800 0.205 0.000 2.720 6192 G HA2 0.555 4.514 3.960 -0.001 0.000 0.295 6192 G HA3 0.555 4.514 3.960 -0.001 0.000 0.295 6192 G C -2.091 172.950 174.900 0.235 0.000 1.437 6192 G CA -0.366 44.941 45.100 0.345 0.000 0.886 6192 G HN 0.273 nan 8.290 nan 0.000 0.509 6193 L N 0.506 121.853 121.223 0.206 0.000 2.372 6193 L HA 0.752 5.092 4.340 -0.001 0.000 0.274 6193 L C -0.406 176.573 176.870 0.182 0.000 0.988 6193 L CA -0.574 54.271 54.840 0.008 0.000 0.833 6193 L CB 1.831 43.791 42.059 -0.165 0.000 1.236 6193 L HN 0.601 nan 8.230 nan 0.000 0.410 6194 E N 5.170 125.415 120.200 0.075 0.000 2.176 6194 E HA 0.586 4.935 4.350 -0.001 0.000 0.267 6194 E C -1.420 175.165 176.600 -0.025 0.000 0.893 6194 E CA -0.598 55.857 56.400 0.090 0.000 0.761 6194 E CB 1.377 31.075 29.700 -0.003 0.000 1.133 6194 E HN 0.653 nan 8.360 nan 0.000 0.409 6195 I N 4.357 124.932 120.570 0.008 0.000 2.465 6195 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 6195 I C -0.993 175.138 176.117 0.022 0.000 1.014 6195 I CA -1.073 60.238 61.300 0.018 0.000 1.093 6195 I CB 1.302 39.345 38.000 0.072 0.000 1.267 6195 I HN 0.327 nan 8.210 nan 0.000 0.431 6196 L N 7.027 128.264 121.223 0.024 0.000 2.307 6196 L HA 0.543 4.882 4.340 -0.001 0.000 0.282 6196 L C -0.273 176.640 176.870 0.072 0.000 1.051 6196 L CA -0.231 54.632 54.840 0.037 0.000 0.804 6196 L CB 1.238 43.313 42.059 0.026 0.000 1.197 6196 L HN 0.392 nan 8.230 nan 0.000 0.431 6197 I N 3.729 124.348 120.570 0.081 0.000 2.447 6197 I HA 0.400 4.569 4.170 -0.001 0.000 0.287 6197 I C -0.815 175.371 176.117 0.116 0.000 1.023 6197 I CA -0.833 60.538 61.300 0.119 0.000 1.083 6197 I CB 1.949 40.017 38.000 0.114 0.000 1.245 6197 I HN 0.103 nan 8.210 nan 0.000 0.434 6198 V N 5.259 125.257 119.914 0.141 0.000 2.370 6198 V HA 0.538 4.657 4.120 -0.001 0.000 0.279 6198 V C 0.334 176.524 176.094 0.160 0.000 1.029 6198 V CA -0.239 62.136 62.300 0.125 0.000 0.870 6198 V CB 1.421 33.306 31.823 0.104 0.000 0.984 6198 V HN 0.896 nan 8.190 nan 0.000 0.451 6199 T N 1.476 116.106 114.554 0.126 0.000 2.858 6199 T HA 0.405 4.755 4.350 -0.001 0.000 0.285 6199 T C 0.853 175.610 174.700 0.095 0.000 1.052 6199 T CA -0.824 61.353 62.100 0.128 0.000 1.009 6199 T CB 1.689 70.613 68.868 0.093 0.000 1.241 6199 T HN 0.656 nan 8.240 nan 0.000 0.542 6200 K N 0.062 120.512 120.400 0.085 0.000 2.360 6200 K HA -0.054 4.265 4.320 -0.001 0.000 0.201 6200 K C 0.683 177.316 176.600 0.055 0.000 1.046 6200 K CA 1.231 57.557 56.287 0.066 0.000 0.945 6200 K CB -0.173 32.362 32.500 0.059 0.000 0.750 6200 K HN 0.381 nan 8.250 nan 0.000 0.464 6201 D N 0.912 121.344 120.400 0.053 0.000 2.347 6201 D HA 0.072 4.711 4.640 -0.001 0.000 0.213 6201 D C 0.968 177.294 176.300 0.043 0.000 0.985 6201 D CA 1.134 55.159 54.000 0.042 0.000 0.879 6201 D CB 0.712 41.533 40.800 0.035 0.000 0.919 6201 D HN 0.495 nan 8.370 nan 0.000 0.526 6202 G N -0.319 108.513 108.800 0.053 0.000 2.280 6202 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.277 6202 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.277 6202 G C -1.407 173.529 174.900 0.059 0.000 1.288 6202 G CA -0.593 44.539 45.100 0.053 0.000 1.075 6202 G HN 0.028 nan 8.290 nan 0.000 0.480 6203 V N 1.348 121.295 119.914 0.055 0.000 2.417 6203 V HA 0.752 4.871 4.120 -0.001 0.000 0.291 6203 V C 0.501 176.622 176.094 0.045 0.000 1.024 6203 V CA -0.368 61.966 62.300 0.057 0.000 0.861 6203 V CB 1.413 33.272 31.823 0.059 0.000 0.985 6203 V HN 0.915 nan 8.190 nan 0.000 0.436 6204 R N 4.288 124.815 120.500 0.045 0.000 2.637 6204 R HA 0.608 4.947 4.340 -0.001 0.000 0.291 6204 R C -0.852 175.464 176.300 0.027 0.000 0.963 6204 R CA -0.822 55.297 56.100 0.032 0.000 0.901 6204 R CB 1.615 31.934 30.300 0.031 0.000 1.160 6204 R HN 0.590 nan 8.270 nan 0.000 0.457 6205 K N 2.551 122.959 120.400 0.013 0.000 2.293 6205 K HA 0.230 4.549 4.320 -0.001 0.000 0.267 6205 K C -1.043 175.546 176.600 -0.019 0.000 1.010 6205 K CA -0.444 55.843 56.287 0.001 0.000 0.875 6205 K CB 1.820 34.317 32.500 -0.004 0.000 1.106 6205 K HN 0.549 nan 8.250 nan 0.000 0.450 6206 E N 2.211 122.388 120.200 -0.039 0.000 2.195 6206 E HA 0.355 4.705 4.350 -0.001 0.000 0.271 6206 E C -1.418 175.045 176.600 -0.229 0.000 0.923 6206 E CA -0.828 55.474 56.400 -0.164 0.000 0.790 6206 E CB 1.601 31.218 29.700 -0.137 0.000 1.155 6206 E HN 0.276 nan 8.360 nan 0.000 0.402 6207 F N 2.993 122.572 119.950 -0.618 0.000 2.547 6207 F HA 0.446 4.973 4.527 -0.001 0.000 0.316 6207 F C -1.959 173.431 175.800 -0.683 0.000 1.121 6207 F CA -0.827 56.874 58.000 -0.499 0.000 0.911 6207 F CB 0.893 39.760 39.000 -0.222 0.000 1.179 6207 F HN 0.328 nan 8.300 nan 0.000 0.443 6208 Y N 3.558 123.428 120.300 -0.717 0.000 2.425 6208 Y HA 0.419 4.968 4.550 -0.001 0.000 0.344 6208 Y C 0.153 175.589 175.900 -0.774 0.000 0.969 6208 Y CA -1.169 56.539 58.100 -0.653 0.000 1.052 6208 Y CB 1.323 39.614 38.460 -0.282 0.000 1.215 6208 Y HN 0.464 nan 8.280 nan 0.000 0.451 6209 E N 2.809 122.756 120.200 -0.421 0.000 2.390 6209 E HA 0.352 4.702 4.350 -0.001 0.000 0.261 6209 E C -0.847 175.712 176.600 -0.068 0.000 1.076 6209 E CA -0.048 56.209 56.400 -0.238 0.000 0.905 6209 E CB 1.186 30.802 29.700 -0.139 0.000 0.984 6209 E HN 0.577 nan 8.360 nan 0.000 0.427 6210 L N 1.406 122.633 121.223 0.006 0.000 2.350 6210 L HA 0.363 4.702 4.340 -0.001 0.000 0.260 6210 L C 0.258 177.157 176.870 0.049 0.000 1.015 6210 L CA -0.950 53.914 54.840 0.041 0.000 0.821 6210 L CB 1.933 44.038 42.059 0.078 0.000 1.370 6210 L HN 0.260 nan 8.230 nan 0.000 0.416 6211 K N 0.772 121.200 120.400 0.047 0.000 2.489 6211 K HA 0.040 4.360 4.320 -0.001 0.000 0.278 6211 K C 0.160 176.794 176.600 0.057 0.000 1.000 6211 K CA 0.341 56.655 56.287 0.044 0.000 1.012 6211 K CB 0.498 33.021 32.500 0.038 0.000 0.903 6211 K HN 0.425 nan 8.250 nan 0.000 0.485 6212 R N 2.113 122.645 120.500 0.053 0.000 2.568 6212 R HA 0.019 4.359 4.340 -0.001 0.000 0.288 6212 R C -0.212 176.123 176.300 0.058 0.000 1.077 6212 R CA -0.253 55.883 56.100 0.061 0.000 1.102 6212 R CB -0.133 30.202 30.300 0.058 0.000 1.278 6212 R HN 0.628 nan 8.270 nan 0.000 0.560 6213 D N 0.000 120.434 120.400 0.056 0.000 6.856 6213 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 6213 D CA 0.000 54.033 54.000 0.054 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