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 1ld4_1_P DATA FIRST_RESID 6001 DATA SEQUENCE YEHATTVPNV PQIPYKALVE RAGYAPLNLE ITVMSSEVLP STNQEYITCK DATA SEQUENCE FTTVVPSPKI KCcGSLECQP AAHADYTCKV FGGVYPFMWG GAQCFcDSEN DATA SEQUENCE SQMSEAYVEL SADCASDHAQ AIKVHTAAMK VGLRIVYGNT TSFLDVYVNG DATA SEQUENCE VTPGTSKDLK VIAGPISASF TPFDHKVVIH RGLVYNYDFP EYGAMKPGAF DATA SEQUENCE GDIQATSLTS KDLIASTDIR LLKPSAKNVH VPYTQASSGF EMWKNNSGRP DATA SEQUENCE LQETAPFGcK IAVNPLRAVD cSYGNIPISI DIPNAAFIRT SDAPLVSTVK DATA SEQUENCE CEVSECTYSX XXXXMATLQY VSDREGQCPV HSHSSTATLQ ESTVHXXXXX DATA SEQUENCE XVTVHFSTAS PQANFIVSLC GKKTTCNAEC 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 6001 Y HA 0.000 nan 4.550 nan 0.000 0.201 6001 Y C 0.000 nan 175.900 nan 0.000 1.272 6001 Y CA 0.000 58.141 58.100 0.069 0.000 1.940 6001 Y CB 0.000 nan 38.460 nan 0.000 1.050 6002 E N 1.669 121.640 120.200 -0.381 0.000 0.000 6002 E HA 0.547 4.897 4.350 0.000 0.000 0.000 6002 E C -1.723 174.629 176.600 -0.413 0.000 0.000 6002 E CA -0.025 56.203 56.400 -0.286 0.000 0.000 6002 E CB -0.200 nan 29.700 nan 0.000 0.000 6002 E HN 1.321 nan 8.360 nan 0.000 0.000 6003 H N -0.368 118.713 119.070 0.017 0.000 2.855 6003 H HA 0.967 5.523 4.556 0.000 0.000 0.363 6003 H C -0.331 175.005 175.328 0.012 0.000 1.185 6003 H CA -0.626 55.435 56.048 0.020 0.000 1.174 6003 H CB 2.249 32.029 29.762 0.030 0.000 1.857 6003 H HN 1.298 nan 8.280 nan 0.000 0.565 6004 A N 1.334 124.251 122.820 0.161 0.000 2.498 6004 A HA 0.431 4.751 4.320 0.000 0.000 0.305 6004 A C -1.015 176.601 177.584 0.054 0.000 1.031 6004 A CA -0.526 51.559 52.037 0.080 0.000 0.998 6004 A CB 0.582 19.610 19.000 0.048 0.000 1.429 6004 A HN 0.525 nan 8.150 nan 0.000 0.387 6005 T N 1.924 116.497 114.554 0.032 0.000 2.876 6005 T HA 0.627 4.977 4.350 0.000 0.000 0.289 6005 T C 0.139 174.824 174.700 -0.025 0.000 1.014 6005 T CA -0.310 61.793 62.100 0.004 0.000 0.986 6005 T CB 1.589 70.455 68.868 -0.004 0.000 1.021 6005 T HN 0.624 nan 8.240 nan 0.000 0.458 6006 T N 2.501 117.033 114.554 -0.037 0.000 2.870 6006 T HA 0.435 4.785 4.350 0.000 0.000 0.300 6006 T C -0.228 174.395 174.700 -0.130 0.000 0.989 6006 T CA -0.339 61.723 62.100 -0.064 0.000 1.139 6006 T CB 0.307 69.149 68.868 -0.044 0.000 0.920 6006 T HN 0.348 nan 8.240 nan 0.000 0.537 6007 V N 7.181 126.980 119.914 -0.191 0.000 2.488 6007 V HA 0.331 4.451 4.120 0.000 0.000 0.293 6007 V C -1.984 173.883 176.094 -0.379 0.000 1.027 6007 V CA -1.891 60.164 62.300 -0.408 0.000 0.862 6007 V CB 1.717 33.281 31.823 -0.431 0.000 1.008 6007 V HN 0.709 nan 8.190 nan 0.000 0.428 6008 P HA 0.136 nan 4.420 nan 0.000 0.280 6008 P C -0.689 176.558 177.300 -0.089 0.000 1.278 6008 P CA -0.308 62.699 63.100 -0.155 0.000 0.787 6008 P CB 0.832 32.514 31.700 -0.030 0.000 1.163 6009 N N -0.681 118.028 118.700 0.014 0.000 3.112 6009 N HA 0.331 5.071 4.740 0.000 0.000 0.270 6009 N C -1.234 174.311 175.510 0.058 0.000 1.385 6009 N CA -0.200 52.876 53.050 0.044 0.000 0.986 6009 N CB 0.061 38.572 38.487 0.040 0.000 1.261 6009 N HN 0.056 nan 8.380 nan 0.000 0.495 6010 V N 2.336 122.338 119.914 0.146 0.000 2.509 6010 V HA 0.388 4.508 4.120 0.000 0.000 0.289 6010 V C -2.142 173.993 176.094 0.068 0.000 1.026 6010 V CA -1.535 60.818 62.300 0.088 0.000 0.872 6010 V CB 2.368 34.242 31.823 0.086 0.000 1.017 6010 V HN 0.271 nan 8.190 nan 0.000 0.436 6011 P HA 0.084 nan 4.420 nan 0.000 0.270 6011 P C 0.155 177.418 177.300 -0.061 0.000 1.227 6011 P CA 0.319 63.408 63.100 -0.017 0.000 0.788 6011 P CB 0.573 32.256 31.700 -0.028 0.000 0.926 6012 Q N -1.789 117.961 119.800 -0.083 0.000 2.406 6012 Q HA -0.182 4.158 4.340 0.000 0.000 0.236 6012 Q C -0.207 175.700 176.000 -0.155 0.000 0.799 6012 Q CA 0.796 56.536 55.803 -0.104 0.000 1.286 6012 Q CB -1.536 27.155 28.738 -0.079 0.000 1.615 6012 Q HN 0.535 nan 8.270 nan 0.000 0.621 6013 I N 2.399 122.823 120.570 -0.245 0.000 2.354 6013 I HA 0.275 4.445 4.170 0.000 0.000 0.286 6013 I C -1.980 173.741 176.117 -0.661 0.000 1.007 6013 I CA -2.113 58.944 61.300 -0.406 0.000 1.167 6013 I CB 1.332 39.068 38.000 -0.439 0.000 1.320 6013 I HN -0.191 nan 8.210 nan 0.000 0.458 6014 P HA 0.080 nan 4.420 nan 0.000 0.271 6014 P C -1.406 175.665 177.300 -0.382 0.000 1.226 6014 P CA 0.237 63.143 63.100 -0.323 0.000 0.765 6014 P CB 0.282 31.883 31.700 -0.165 0.000 0.835 6015 Y N 2.283 122.563 120.300 -0.033 0.000 2.342 6015 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 6015 Y C 1.124 176.999 175.900 -0.043 0.000 1.067 6015 Y CA -0.431 57.647 58.100 -0.036 0.000 1.128 6015 Y CB 2.060 40.501 38.460 -0.032 0.000 1.200 6015 Y HN 0.135 nan 8.280 nan 0.000 0.464 6016 K N 2.768 123.231 120.400 0.105 0.000 2.579 6016 K HA 0.743 5.063 4.320 0.000 0.000 0.250 6016 K C -1.031 175.520 176.600 -0.081 0.000 0.952 6016 K CA -0.632 55.648 56.287 -0.013 0.000 0.857 6016 K CB 1.899 34.382 32.500 -0.029 0.000 1.123 6016 K HN 0.707 nan 8.250 nan 0.000 0.433 6017 A N 3.655 126.415 122.820 -0.100 0.000 2.313 6017 A HA 0.829 5.149 4.320 0.000 0.000 0.323 6017 A C -0.944 176.531 177.584 -0.181 0.000 1.133 6017 A CA -0.770 51.204 52.037 -0.104 0.000 0.847 6017 A CB 0.850 19.824 19.000 -0.043 0.000 1.308 6017 A HN 0.652 nan 8.150 nan 0.000 0.475 6018 L N 0.684 121.824 121.223 -0.138 0.000 2.386 6018 L HA 0.463 4.803 4.340 0.000 0.000 0.271 6018 L C -1.043 175.783 176.870 -0.073 0.000 0.993 6018 L CA -0.977 53.785 54.840 -0.130 0.000 0.819 6018 L CB 2.194 44.180 42.059 -0.122 0.000 1.294 6018 L HN 0.421 nan 8.230 nan 0.000 0.414 6019 V N 2.135 122.016 119.914 -0.055 0.000 2.385 6019 V HA 0.165 4.285 4.120 0.000 0.000 0.269 6019 V C 0.286 176.414 176.094 0.056 0.000 1.043 6019 V CA -0.373 61.900 62.300 -0.044 0.000 0.906 6019 V CB 1.022 32.839 31.823 -0.010 0.000 0.995 6019 V HN 0.723 nan 8.190 nan 0.000 0.467 6020 E N 5.241 125.484 120.200 0.070 0.000 2.427 6020 E HA 0.268 4.618 4.350 0.000 0.000 0.259 6020 E C 0.076 176.729 176.600 0.089 0.000 1.267 6020 E CA -0.283 56.167 56.400 0.084 0.000 1.425 6020 E CB 0.537 30.280 29.700 0.071 0.000 1.482 6020 E HN 0.553 nan 8.360 nan 0.000 0.460 6021 R N 0.538 121.095 120.500 0.096 0.000 2.543 6021 R HA 0.513 4.853 4.340 0.000 0.000 0.268 6021 R C -0.162 176.169 176.300 0.051 0.000 1.067 6021 R CA -0.437 55.699 56.100 0.060 0.000 1.142 6021 R CB 1.184 31.480 30.300 -0.006 0.000 1.110 6021 R HN 0.159 nan 8.270 nan 0.000 0.549 6022 A N 0.903 123.743 122.820 0.034 0.000 2.260 6022 A HA 0.564 4.884 4.320 0.000 0.000 0.308 6022 A C 0.700 178.306 177.584 0.037 0.000 1.254 6022 A CA 0.467 52.521 52.037 0.029 0.000 0.874 6022 A CB 0.614 19.623 19.000 0.015 0.000 1.153 6022 A HN 0.863 nan 8.150 nan 0.000 0.527 6023 G N 1.711 110.520 108.800 0.015 0.000 4.013 6023 G HA2 -0.205 3.755 3.960 0.000 0.000 0.255 6023 G HA3 -0.205 3.755 3.960 0.000 0.000 0.255 6023 G C 0.136 175.003 174.900 -0.056 0.000 1.765 6023 G CA -0.019 45.050 45.100 -0.050 0.000 1.396 6023 G HN 0.808 nan 8.290 nan 0.000 0.605 6024 Y N 2.357 122.627 120.300 -0.050 0.000 2.607 6024 Y HA 0.403 4.953 4.550 0.000 0.000 0.348 6024 Y C 1.390 177.319 175.900 0.049 0.000 1.261 6024 Y CA 0.484 58.578 58.100 -0.011 0.000 1.480 6024 Y CB 0.350 38.763 38.460 -0.078 0.000 1.358 6024 Y HN 0.840 nan 8.280 nan 0.000 0.630 6025 A N 4.873 127.849 122.820 0.260 0.000 2.488 6025 A HA 0.210 4.530 4.320 0.000 0.000 0.249 6025 A C -2.198 175.538 177.584 0.253 0.000 1.083 6025 A CA -1.430 50.730 52.037 0.205 0.000 0.768 6025 A CB -0.742 18.362 19.000 0.173 0.000 1.017 6025 A HN 0.509 nan 8.150 nan 0.000 0.496 6026 P HA 0.100 nan 4.420 nan 0.000 0.264 6026 P C -0.272 177.135 177.300 0.177 0.000 1.229 6026 P CA 0.365 63.579 63.100 0.190 0.000 0.780 6026 P CB 0.266 32.059 31.700 0.155 0.000 0.808 6027 L N 3.693 125.019 121.223 0.172 0.000 2.472 6027 L HA 0.138 4.478 4.340 0.000 0.000 0.260 6027 L C 1.129 178.053 176.870 0.090 0.000 1.209 6027 L CA -0.155 54.739 54.840 0.090 0.000 0.817 6027 L CB 0.012 42.025 42.059 -0.076 0.000 1.106 6027 L HN 0.340 nan 8.230 nan 0.000 0.479 6028 N N 1.619 120.403 118.700 0.141 0.000 2.443 6028 N HA 0.533 5.273 4.740 0.000 0.000 0.295 6028 N C -1.026 174.600 175.510 0.194 0.000 1.076 6028 N CA -0.357 52.812 53.050 0.197 0.000 0.919 6028 N CB 1.453 40.129 38.487 0.316 0.000 1.176 6028 N HN 0.349 nan 8.380 nan 0.000 0.487 6029 L N 0.974 122.266 121.223 0.114 0.000 2.462 6029 L HA 0.394 4.734 4.340 0.000 0.000 0.255 6029 L C -0.124 176.754 176.870 0.012 0.000 1.076 6029 L CA -0.454 54.479 54.840 0.155 0.000 0.920 6029 L CB 0.990 43.154 42.059 0.175 0.000 1.214 6029 L HN 0.283 nan 8.230 nan 0.000 0.472 6030 E N 4.073 124.227 120.200 -0.076 0.000 2.174 6030 E HA 0.627 4.977 4.350 0.000 0.000 0.282 6030 E C -0.842 175.690 176.600 -0.115 0.000 0.992 6030 E CA -0.449 55.917 56.400 -0.056 0.000 0.803 6030 E CB 2.607 32.287 29.700 -0.033 0.000 1.090 6030 E HN 0.452 nan 8.360 nan 0.000 0.396 6031 I N 2.027 122.601 120.570 0.007 0.000 2.571 6031 I HA 0.240 4.410 4.170 0.000 0.000 0.289 6031 I C -0.497 175.713 176.117 0.156 0.000 1.115 6031 I CA -0.526 60.804 61.300 0.050 0.000 1.045 6031 I CB 2.395 40.437 38.000 0.069 0.000 1.238 6031 I HN 0.286 nan 8.210 nan 0.000 0.424 6032 T N 4.696 119.305 114.554 0.093 0.000 2.887 6032 T HA 0.483 4.833 4.350 0.000 0.000 0.288 6032 T C -0.392 174.353 174.700 0.075 0.000 1.021 6032 T CA -0.556 61.577 62.100 0.055 0.000 1.000 6032 T CB 2.503 71.357 68.868 -0.024 0.000 1.034 6032 T HN 0.168 nan 8.240 nan 0.000 0.467 6033 V N 4.464 124.425 119.914 0.078 0.000 2.364 6033 V HA 0.243 4.363 4.120 0.000 0.000 0.272 6033 V C 0.978 177.067 176.094 -0.009 0.000 1.036 6033 V CA -0.256 62.082 62.300 0.063 0.000 0.880 6033 V CB 0.754 32.645 31.823 0.112 0.000 0.991 6033 V HN 0.908 nan 8.190 nan 0.000 0.460 6034 M N 2.457 122.038 119.600 -0.032 0.000 2.142 6034 M HA 0.101 4.581 4.480 0.000 0.000 0.256 6034 M C 0.282 176.549 176.300 -0.055 0.000 1.098 6034 M CA 1.162 56.419 55.300 -0.072 0.000 1.151 6034 M CB 0.103 32.637 32.600 -0.109 0.000 1.299 6034 M HN 0.690 nan 8.290 nan 0.000 0.431 6035 S N -0.167 115.507 115.700 -0.043 0.000 2.626 6035 S HA 0.419 4.889 4.470 0.000 0.000 0.275 6035 S C -0.825 173.761 174.600 -0.025 0.000 1.175 6035 S CA -1.090 57.088 58.200 -0.037 0.000 0.982 6035 S CB 1.709 64.883 63.200 -0.044 0.000 1.093 6035 S HN 0.150 nan 8.310 nan 0.000 0.472 6036 S N 2.299 117.989 115.700 -0.017 0.000 2.584 6036 S HA 0.489 4.959 4.470 0.000 0.000 0.273 6036 S C -0.267 174.336 174.600 0.004 0.000 1.311 6036 S CA -0.756 57.443 58.200 -0.001 0.000 1.034 6036 S CB 0.546 63.749 63.200 0.004 0.000 0.939 6036 S HN 0.739 nan 8.310 nan 0.000 0.513 6037 E N 1.252 121.461 120.200 0.014 0.000 2.302 6037 E HA 0.319 4.669 4.350 0.000 0.000 0.263 6037 E C -1.657 174.969 176.600 0.045 0.000 0.897 6037 E CA -0.389 56.023 56.400 0.021 0.000 0.809 6037 E CB 1.886 31.579 29.700 -0.012 0.000 1.270 6037 E HN 0.279 nan 8.360 nan 0.000 0.410 6038 V N 4.834 124.804 119.914 0.094 0.000 2.313 6038 V HA 0.336 4.456 4.120 0.000 0.000 0.278 6038 V C -0.302 175.866 176.094 0.125 0.000 1.017 6038 V CA -0.539 61.833 62.300 0.119 0.000 0.823 6038 V CB 1.210 33.144 31.823 0.184 0.000 1.010 6038 V HN 0.571 nan 8.190 nan 0.000 0.443 6039 L N 8.727 129.989 121.223 0.066 0.000 2.319 6039 L HA 0.628 4.968 4.340 0.000 0.000 0.281 6039 L C -2.106 174.777 176.870 0.021 0.000 1.005 6039 L CA -1.693 53.165 54.840 0.029 0.000 0.828 6039 L CB 2.706 44.763 42.059 -0.003 0.000 1.227 6039 L HN 0.428 nan 8.230 nan 0.000 0.415 6040 P HA 0.114 nan 4.420 nan 0.000 0.276 6040 P C -0.786 176.505 177.300 -0.016 0.000 1.261 6040 P CA -0.515 62.586 63.100 0.001 0.000 0.800 6040 P CB 0.879 32.570 31.700 -0.014 0.000 1.066 6041 S N -0.792 114.913 115.700 0.008 0.000 2.670 6041 S HA 0.111 4.581 4.470 0.000 0.000 0.328 6041 S C 0.242 174.838 174.600 -0.007 0.000 1.179 6041 S CA -0.333 57.873 58.200 0.011 0.000 1.194 6041 S CB -1.539 61.682 63.200 0.034 0.000 1.359 6041 S HN 0.339 nan 8.310 nan 0.000 0.555 6042 T N 4.430 118.964 114.554 -0.033 0.000 2.779 6042 T HA 0.218 4.568 4.350 0.000 0.000 0.296 6042 T C 0.035 174.719 174.700 -0.027 0.000 0.938 6042 T CA -0.291 61.778 62.100 -0.052 0.000 1.119 6042 T CB -0.043 68.782 68.868 -0.071 0.000 0.891 6042 T HN 0.575 nan 8.240 nan 0.000 0.526 6043 N N 3.620 122.307 118.700 -0.022 0.000 2.682 6043 N HA 0.149 4.889 4.740 0.000 0.000 0.252 6043 N C -0.574 174.930 175.510 -0.010 0.000 1.081 6043 N CA -0.499 52.545 53.050 -0.011 0.000 0.844 6043 N CB 1.159 39.647 38.487 0.002 0.000 1.167 6043 N HN 0.581 nan 8.380 nan 0.000 0.523 6044 Q N 0.874 120.669 119.800 -0.007 0.000 2.274 6044 Q HA 0.063 4.403 4.340 0.000 0.000 0.280 6044 Q C 0.473 176.498 176.000 0.042 0.000 1.047 6044 Q CA 0.727 56.535 55.803 0.009 0.000 0.907 6044 Q CB 1.317 30.058 28.738 0.004 0.000 1.171 6044 Q HN 0.518 nan 8.270 nan 0.000 0.381 6045 E N 1.611 121.865 120.200 0.090 0.000 2.502 6045 E HA 0.125 4.475 4.350 0.000 0.000 0.206 6045 E C -0.418 176.373 176.600 0.319 0.000 0.821 6045 E CA 0.133 56.622 56.400 0.149 0.000 1.354 6045 E CB 0.932 30.694 29.700 0.103 0.000 1.336 6045 E HN 0.521 nan 8.360 nan 0.000 0.675 6046 Y N -0.054 120.311 120.300 0.109 0.000 2.615 6046 Y HA 0.573 5.123 4.550 0.000 0.000 0.341 6046 Y C -0.766 175.101 175.900 -0.054 0.000 1.089 6046 Y CA -1.200 56.902 58.100 0.004 0.000 1.049 6046 Y CB 2.294 40.680 38.460 -0.123 0.000 1.296 6046 Y HN -0.198 nan 8.280 nan 0.000 0.470 6047 I N 1.018 121.603 120.570 0.025 0.000 2.913 6047 I HA 0.450 4.620 4.170 0.000 0.000 0.302 6047 I C -1.047 174.990 176.117 -0.134 0.000 1.246 6047 I CA -0.623 60.599 61.300 -0.129 0.000 1.010 6047 I CB 2.909 40.728 38.000 -0.301 0.000 1.259 6047 I HN 0.631 nan 8.210 nan 0.000 0.434 6048 T N -0.187 114.278 114.554 -0.148 0.000 2.787 6048 T HA 0.821 5.171 4.350 0.000 0.000 0.297 6048 T C -0.759 173.761 174.700 -0.300 0.000 1.221 6048 T CA -0.649 61.372 62.100 -0.131 0.000 1.006 6048 T CB 2.167 71.015 68.868 -0.033 0.000 1.328 6048 T HN 0.796 nan 8.240 nan 0.000 0.509 6049 C N -0.631 118.247 119.300 -0.703 0.000 3.184 6049 C HA 0.372 4.832 4.460 0.000 0.000 0.319 6049 C C -0.894 173.491 174.990 -1.008 0.000 1.378 6049 C CA -1.062 57.476 59.018 -0.800 0.000 1.168 6049 C CB 0.658 28.197 27.740 -0.334 0.000 1.496 6049 C HN 1.190 nan 8.230 nan 0.000 0.416 6050 K N -0.015 120.012 120.400 -0.621 0.000 2.187 6050 K HA 0.593 4.913 4.320 0.000 0.000 0.247 6050 K C -1.117 175.002 176.600 -0.801 0.000 1.019 6050 K CA 0.639 56.612 56.287 -0.523 0.000 0.893 6050 K CB 0.263 32.649 32.500 -0.191 0.000 1.025 6050 K HN 0.448 nan 8.250 nan 0.000 0.500 6051 F N -1.355 118.659 119.950 0.107 0.000 2.754 6051 F HA 0.357 4.884 4.527 0.000 0.000 0.320 6051 F C -0.361 175.470 175.800 0.053 0.000 1.156 6051 F CA -1.085 56.961 58.000 0.077 0.000 0.950 6051 F CB 2.378 41.432 39.000 0.091 0.000 1.388 6051 F HN 0.216 nan 8.300 nan 0.000 0.485 6052 T N 0.182 114.896 114.554 0.267 0.000 3.011 6052 T HA 0.305 4.655 4.350 0.000 0.000 0.303 6052 T C -0.898 173.870 174.700 0.113 0.000 0.997 6052 T CA -0.749 61.438 62.100 0.145 0.000 1.007 6052 T CB 1.434 70.360 68.868 0.097 0.000 1.017 6052 T HN 0.496 nan 8.240 nan 0.000 0.443 6053 T N 2.648 117.257 114.554 0.092 0.000 2.853 6053 T HA 0.220 4.570 4.350 0.000 0.000 0.298 6053 T C 0.595 175.322 174.700 0.046 0.000 0.978 6053 T CA -0.273 61.867 62.100 0.066 0.000 1.152 6053 T CB 0.290 69.201 68.868 0.072 0.000 0.914 6053 T HN 0.374 nan 8.240 nan 0.000 0.539 6054 V N 4.995 124.925 119.914 0.026 0.000 2.180 6054 V HA 0.159 4.279 4.120 0.000 0.000 0.265 6054 V C 0.255 176.325 176.094 -0.039 0.000 1.214 6054 V CA -0.682 61.620 62.300 0.003 0.000 1.130 6054 V CB 0.240 32.067 31.823 0.006 0.000 1.266 6054 V HN 0.729 nan 8.190 nan 0.000 0.473 6055 V N 6.517 126.426 119.914 -0.010 0.000 2.427 6055 V HA 0.252 4.372 4.120 0.000 0.000 0.268 6055 V C -0.789 175.285 176.094 -0.033 0.000 1.046 6055 V CA -0.921 61.372 62.300 -0.012 0.000 0.970 6055 V CB 0.844 32.706 31.823 0.065 0.000 1.001 6055 V HN 0.643 nan 8.190 nan 0.000 0.476 6056 P HA 0.283 nan 4.420 nan 0.000 0.289 6056 P C -0.433 176.854 177.300 -0.022 0.000 1.299 6056 P CA -0.481 62.586 63.100 -0.055 0.000 0.766 6056 P CB 0.667 32.311 31.700 -0.093 0.000 1.226 6057 S N -0.143 115.549 115.700 -0.013 0.000 2.499 6057 S HA 0.422 4.892 4.470 0.000 0.000 0.279 6057 S C -1.954 172.650 174.600 0.006 0.000 1.219 6057 S CA -1.151 57.047 58.200 -0.002 0.000 1.062 6057 S CB -0.006 63.192 63.200 -0.003 0.000 0.978 6057 S HN 0.349 nan 8.310 nan 0.000 0.489 6058 P HA 0.197 nan 4.420 nan 0.000 0.269 6058 P C -0.876 176.441 177.300 0.028 0.000 1.209 6058 P CA -0.423 62.699 63.100 0.037 0.000 0.776 6058 P CB 0.516 32.256 31.700 0.067 0.000 0.876 6059 K N 2.720 123.140 120.400 0.033 0.000 3.129 6059 K HA 0.317 4.637 4.320 0.000 0.000 0.224 6059 K C 0.376 176.997 176.600 0.035 0.000 1.249 6059 K CA -0.447 55.855 56.287 0.026 0.000 1.177 6059 K CB -0.218 32.297 32.500 0.024 0.000 1.393 6059 K HN 0.451 nan 8.250 nan 0.000 0.459 6060 I N 1.690 122.285 120.570 0.040 0.000 2.845 6060 I HA -0.157 4.013 4.170 0.000 0.000 0.296 6060 I C 0.799 176.936 176.117 0.033 0.000 1.216 6060 I CA 0.886 62.218 61.300 0.054 0.000 1.438 6060 I CB 0.154 38.178 38.000 0.039 0.000 1.342 6060 I HN 0.297 nan 8.210 nan 0.000 0.577 6061 K N 4.072 124.501 120.400 0.049 0.000 1.754 6061 K HA 0.614 4.934 4.320 0.000 0.000 0.264 6061 K C -0.453 176.182 176.600 0.058 0.000 0.932 6061 K CA -0.681 55.633 56.287 0.045 0.000 0.833 6061 K CB 0.819 33.344 32.500 0.042 0.000 2.355 6061 K HN 0.582 nan 8.250 nan 0.000 0.873 6062 C N -0.393 118.946 119.300 0.065 0.000 3.389 6062 C HA 0.210 4.670 4.460 0.000 0.000 0.133 6062 C C 1.735 176.764 174.990 0.066 0.000 2.714 6062 C CA -0.530 58.536 59.018 0.081 0.000 1.946 6062 C CB 0.186 27.992 27.740 0.109 0.000 3.241 6062 C HN 0.838 nan 8.230 nan 0.000 0.403 6063 c N 2.287 120.925 118.600 0.064 0.000 2.511 6063 c HA 0.331 4.901 4.570 0.000 0.000 0.300 6063 c C 1.272 175.384 174.090 0.036 0.000 1.393 6063 c CA -0.213 56.145 56.329 0.047 0.000 1.637 6063 c CB -2.388 40.150 42.510 0.047 0.000 1.637 6063 c HN 0.823 nan 8.230 nan 0.000 0.595 6064 G N 0.963 109.785 108.800 0.037 0.000 2.448 6064 G HA2 0.459 4.419 3.960 0.000 0.000 0.285 6064 G HA3 0.459 4.419 3.960 0.000 0.000 0.285 6064 G C 0.042 174.957 174.900 0.025 0.000 1.176 6064 G CA -0.049 45.068 45.100 0.028 0.000 0.852 6064 G HN 0.517 nan 8.290 nan 0.000 0.530 6065 S N 0.185 115.896 115.700 0.019 0.000 2.601 6065 S HA 0.716 5.186 4.470 0.000 0.000 0.271 6065 S C -0.296 174.311 174.600 0.013 0.000 1.305 6065 S CA -0.575 57.634 58.200 0.015 0.000 1.022 6065 S CB 1.200 64.407 63.200 0.011 0.000 0.940 6065 S HN 0.501 nan 8.310 nan 0.000 0.525 6066 L N 0.844 122.072 121.223 0.008 0.000 2.505 6066 L HA 0.562 4.902 4.340 0.000 0.000 0.259 6066 L C -0.845 176.020 176.870 -0.008 0.000 0.952 6066 L CA -0.356 54.486 54.840 0.003 0.000 0.840 6066 L CB 2.434 44.496 42.059 0.005 0.000 1.358 6066 L HN 0.792 nan 8.230 nan 0.000 0.409 6067 E N 1.632 121.827 120.200 -0.008 0.000 2.294 6067 E HA 0.283 4.633 4.350 0.000 0.000 0.272 6067 E C -1.430 175.165 176.600 -0.009 0.000 0.896 6067 E CA -0.603 55.788 56.400 -0.015 0.000 0.802 6067 E CB 2.103 31.795 29.700 -0.012 0.000 1.267 6067 E HN 0.491 nan 8.360 nan 0.000 0.406 6068 C N 2.494 121.787 119.300 -0.013 0.000 2.652 6068 C HA 0.149 4.609 4.460 0.000 0.000 0.412 6068 C C 0.373 175.367 174.990 0.007 0.000 1.294 6068 C CA -0.337 58.687 59.018 0.010 0.000 2.127 6068 C CB -0.165 27.585 27.740 0.017 0.000 2.691 6068 C HN 0.630 nan 8.230 nan 0.000 0.615 6069 Q N 2.693 122.506 119.800 0.023 0.000 2.331 6069 Q HA 0.450 4.790 4.340 0.000 0.000 0.267 6069 Q C -2.121 173.860 176.000 -0.031 0.000 1.006 6069 Q CA -1.067 54.730 55.803 -0.011 0.000 0.818 6069 Q CB 1.610 30.345 28.738 -0.005 0.000 1.276 6069 Q HN 0.631 nan 8.270 nan 0.000 0.450 6070 P HA 0.407 nan 4.420 nan 0.000 0.276 6070 P C -1.055 176.029 177.300 -0.361 0.000 1.244 6070 P CA -0.085 62.744 63.100 -0.451 0.000 0.801 6070 P CB 1.519 32.885 31.700 -0.556 0.000 1.006 6071 A N 0.812 123.343 122.820 -0.482 0.000 3.389 6071 A HA 0.756 5.076 4.320 0.000 0.000 0.179 6071 A C -0.765 176.714 177.584 -0.174 0.000 0.848 6071 A CA 0.171 52.094 52.037 -0.189 0.000 1.090 6071 A CB -0.053 18.922 19.000 -0.041 0.000 1.808 6071 A HN 0.589 nan 8.150 nan 0.000 0.715 6072 A N 0.343 123.060 122.820 -0.172 0.000 2.943 6072 A HA 0.683 5.003 4.320 0.000 0.000 0.327 6072 A C -0.751 176.641 177.584 -0.319 0.000 1.141 6072 A CA -0.380 51.570 52.037 -0.146 0.000 0.773 6072 A CB -0.086 18.823 19.000 -0.151 0.000 1.143 6072 A HN 0.646 nan 8.150 nan 0.000 0.463 6073 H N 0.237 119.361 119.070 0.089 0.000 3.220 6073 H HA 0.774 5.330 4.556 0.000 0.000 0.299 6073 H C -0.054 175.102 175.328 -0.287 0.000 1.604 6073 H CA -0.239 55.644 56.048 -0.275 0.000 1.260 6073 H CB 1.813 31.072 29.762 -0.838 0.000 1.846 6073 H HN 0.634 nan 8.280 nan 0.000 0.632 6074 A N 1.019 123.708 122.820 -0.218 0.000 2.276 6074 A HA 0.511 4.831 4.320 0.000 0.000 0.316 6074 A C -0.869 176.555 177.584 -0.267 0.000 1.229 6074 A CA -0.282 51.641 52.037 -0.189 0.000 0.851 6074 A CB -0.180 18.726 19.000 -0.156 0.000 1.165 6074 A HN 0.701 nan 8.150 nan 0.000 0.513 6075 D N -0.741 119.565 120.400 -0.157 0.000 10.695 6075 D HA -0.190 4.450 4.640 0.000 0.000 0.330 6075 D C -1.222 174.993 176.300 -0.141 0.000 3.085 6075 D CA 1.666 55.612 54.000 -0.090 0.000 2.708 6075 D CB -0.696 40.064 40.800 -0.067 0.000 1.181 6075 D HN 0.615 nan 8.370 nan 0.000 0.923 6076 Y N 0.349 120.673 120.300 0.040 0.000 2.379 6076 Y HA 0.377 4.927 4.550 0.000 0.000 0.342 6076 Y C -0.288 175.643 175.900 0.051 0.000 1.126 6076 Y CA -0.388 57.758 58.100 0.077 0.000 1.310 6076 Y CB 1.933 40.404 38.460 0.018 0.000 1.115 6076 Y HN 0.193 nan 8.280 nan 0.000 0.505 6077 T N 2.933 117.616 114.554 0.215 0.000 3.089 6077 T HA 0.344 4.694 4.350 0.000 0.000 0.340 6077 T C -1.108 173.618 174.700 0.043 0.000 1.008 6077 T CA -0.303 61.851 62.100 0.090 0.000 1.096 6077 T CB -0.036 68.839 68.868 0.011 0.000 1.024 6077 T HN 0.457 nan 8.240 nan 0.000 0.477 6078 C N 3.773 123.107 119.300 0.056 0.000 2.379 6078 C HA 0.702 5.162 4.460 0.000 0.000 0.323 6078 C C -0.028 174.903 174.990 -0.099 0.000 1.262 6078 C CA -1.166 57.843 59.018 -0.014 0.000 1.581 6078 C CB 0.642 28.414 27.740 0.053 0.000 2.221 6078 C HN 0.736 nan 8.230 nan 0.000 0.497 6079 K N 2.101 122.350 120.400 -0.252 0.000 2.507 6079 K HA 0.511 4.831 4.320 0.000 0.000 0.251 6079 K C -1.270 174.882 176.600 -0.746 0.000 0.943 6079 K CA -0.526 55.528 56.287 -0.387 0.000 0.794 6079 K CB 2.120 34.448 32.500 -0.286 0.000 1.188 6079 K HN 0.432 nan 8.250 nan 0.000 0.428 6080 V N 4.501 124.161 119.914 -0.424 0.000 2.439 6080 V HA 0.188 4.308 4.120 0.000 0.000 0.271 6080 V C -0.284 175.647 176.094 -0.271 0.000 1.040 6080 V CA -0.073 62.024 62.300 -0.338 0.000 1.002 6080 V CB -0.644 31.101 31.823 -0.130 0.000 1.000 6080 V HN 0.534 nan 8.190 nan 0.000 0.477 6081 F N 2.980 122.943 119.950 0.021 0.000 2.408 6081 F HA 0.689 5.216 4.527 0.000 0.000 0.344 6081 F C 0.943 176.738 175.800 -0.008 0.000 1.112 6081 F CA -0.488 57.514 58.000 0.003 0.000 1.096 6081 F CB 1.612 40.608 39.000 -0.006 0.000 1.129 6081 F HN 0.558 nan 8.300 nan 0.000 0.486 6082 G N 0.278 109.184 108.800 0.176 0.000 2.495 6082 G HA2 0.501 4.461 3.960 0.000 0.000 0.318 6082 G HA3 0.501 4.461 3.960 0.000 0.000 0.318 6082 G C 0.365 175.288 174.900 0.038 0.000 1.257 6082 G CA -0.384 44.766 45.100 0.083 0.000 0.962 6082 G HN 1.044 nan 8.290 nan 0.000 0.483 6083 G N -0.465 108.338 108.800 0.006 0.000 2.179 6083 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 6083 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 6083 G C 0.318 175.174 174.900 -0.075 0.000 0.990 6083 G CA 0.169 45.250 45.100 -0.033 0.000 0.646 6083 G HN 1.282 nan 8.290 nan 0.000 0.517 6084 V N 0.805 120.659 119.914 -0.099 0.000 2.732 6084 V HA 0.532 4.652 4.120 0.000 0.000 0.297 6084 V C 1.034 177.025 176.094 -0.172 0.000 1.060 6084 V CA 0.193 62.334 62.300 -0.265 0.000 1.038 6084 V CB 0.245 31.805 31.823 -0.439 0.000 1.003 6084 V HN 0.658 nan 8.190 nan 0.000 0.481 6085 Y N 2.816 123.102 120.300 -0.024 0.000 2.994 6085 Y HA -0.140 4.410 4.550 0.000 0.000 0.168 6085 Y C -1.386 174.464 175.900 -0.083 0.000 1.648 6085 Y CA -0.023 58.059 58.100 -0.030 0.000 0.924 6085 Y CB -1.294 37.151 38.460 -0.026 0.000 1.415 6085 Y HN 0.622 nan 8.280 nan 0.000 0.391 6086 P HA -0.037 nan 4.420 nan 0.000 0.230 6086 P C 0.065 176.973 177.300 -0.653 0.000 1.158 6086 P CA 1.433 64.334 63.100 -0.332 0.000 0.769 6086 P CB 0.293 31.788 31.700 -0.341 0.000 0.807 6087 F N -2.995 117.023 119.950 0.114 0.000 2.789 6087 F HA 0.332 4.859 4.527 0.000 0.000 0.319 6087 F C 1.931 177.757 175.800 0.043 0.000 1.168 6087 F CA -1.056 57.008 58.000 0.107 0.000 0.934 6087 F CB 0.590 39.705 39.000 0.192 0.000 1.375 6087 F HN -0.447 nan 8.300 nan 0.000 0.480 6088 M N -0.374 119.367 119.600 0.235 0.000 2.374 6088 M HA -0.113 4.367 4.480 0.000 0.000 0.264 6088 M C 0.605 176.811 176.300 -0.157 0.000 1.067 6088 M CA 1.907 57.129 55.300 -0.131 0.000 1.103 6088 M CB -0.093 32.312 32.600 -0.327 0.000 1.402 6088 M HN 0.558 nan 8.290 nan 0.000 0.444 6089 W N -0.493 120.835 121.300 0.047 0.000 3.290 6089 W HA 0.263 4.923 4.660 0.000 0.000 0.287 6089 W C 2.088 178.649 176.519 0.070 0.000 1.288 6089 W CA 0.228 57.591 57.345 0.031 0.000 1.725 6089 W CB -0.785 28.683 29.460 0.013 0.000 1.103 6089 W HN 0.151 nan 8.180 nan 0.000 0.670 6090 G N -0.048 108.919 108.800 0.278 0.000 2.395 6090 G HA2 0.286 4.246 3.960 0.000 0.000 0.214 6090 G HA3 0.286 4.246 3.960 0.000 0.000 0.214 6090 G C 1.433 176.451 174.900 0.196 0.000 1.177 6090 G CA 1.312 46.570 45.100 0.264 0.000 0.794 6090 G HN 0.361 nan 8.290 nan 0.000 0.532 6091 G N -1.085 107.718 108.800 0.006 0.000 4.018 6091 G HA2 0.221 4.181 3.960 0.000 0.000 0.195 6091 G HA3 0.221 4.181 3.960 0.000 0.000 0.195 6091 G C 1.208 175.864 174.900 -0.407 0.000 1.019 6091 G CA 0.614 45.611 45.100 -0.171 0.000 0.871 6091 G HN 0.926 nan 8.290 nan 0.000 0.339 6092 A N 0.381 122.808 122.820 -0.655 0.000 2.251 6092 A HA 0.514 4.834 4.320 0.000 0.000 0.209 6092 A C 1.174 178.559 177.584 -0.331 0.000 1.187 6092 A CA 1.472 53.178 52.037 -0.553 0.000 0.823 6092 A CB -0.469 18.103 19.000 -0.714 0.000 0.846 6092 A HN 0.788 nan 8.150 nan 0.000 0.486 6093 Q N -1.111 118.506 119.800 -0.304 0.000 2.460 6093 Q HA -0.186 4.154 4.340 0.000 0.000 0.311 6093 Q C -0.534 175.198 176.000 -0.446 0.000 1.396 6093 Q CA 0.384 55.977 55.803 -0.350 0.000 0.838 6093 Q CB -2.629 25.927 28.738 -0.304 0.000 1.140 6093 Q HN 0.699 nan 8.270 nan 0.000 0.415 6094 C N -0.533 118.571 119.300 -0.326 0.000 2.459 6094 C HA 0.409 4.869 4.460 0.000 0.000 0.374 6094 C C 1.351 176.138 174.990 -0.339 0.000 1.241 6094 C CA -0.471 58.400 59.018 -0.246 0.000 2.352 6094 C CB 0.095 27.801 27.740 -0.057 0.000 2.490 6094 C HN 0.546 nan 8.230 nan 0.000 0.583 6095 F N -0.436 119.547 119.950 0.055 0.000 2.704 6095 F HA 0.179 4.706 4.527 0.000 0.000 0.304 6095 F C 1.310 177.156 175.800 0.077 0.000 1.094 6095 F CA -0.181 57.868 58.000 0.082 0.000 1.275 6095 F CB -0.145 38.888 39.000 0.055 0.000 1.073 6095 F HN 0.465 nan 8.300 nan 0.000 0.586 6096 c N 1.121 119.825 118.600 0.172 0.000 2.539 6096 c HA 0.125 4.695 4.570 0.000 0.000 0.392 6096 c C 1.631 175.711 174.090 -0.017 0.000 1.269 6096 c CA -0.663 55.719 56.329 0.088 0.000 2.250 6096 c CB 0.827 43.376 42.510 0.065 0.000 2.584 6096 c HN 0.350 nan 8.230 nan 0.000 0.589 6097 D N 0.744 121.126 120.400 -0.030 0.000 2.091 6097 D HA -0.049 4.591 4.640 0.000 0.000 0.199 6097 D C 1.613 177.791 176.300 -0.203 0.000 0.980 6097 D CA 1.723 55.635 54.000 -0.148 0.000 0.831 6097 D CB 0.085 40.870 40.800 -0.025 0.000 0.987 6097 D HN 0.719 nan 8.370 nan 0.000 0.460 6098 S N -1.488 114.156 115.700 -0.092 0.000 3.067 6098 S HA 0.220 4.690 4.470 0.000 0.000 0.253 6098 S C -0.100 174.483 174.600 -0.028 0.000 0.942 6098 S CA -0.606 57.549 58.200 -0.074 0.000 1.197 6098 S CB 0.129 63.294 63.200 -0.060 0.000 1.143 6098 S HN 0.030 nan 8.310 nan 0.000 0.638 6099 E N 2.500 122.694 120.200 -0.010 0.000 2.731 6099 E HA 0.370 4.720 4.350 0.000 0.000 0.220 6099 E C -1.008 175.608 176.600 0.027 0.000 1.087 6099 E CA -0.330 56.077 56.400 0.012 0.000 1.020 6099 E CB 0.317 30.028 29.700 0.018 0.000 1.339 6099 E HN 0.397 nan 8.360 nan 0.000 0.444 6100 N N 1.213 119.932 118.700 0.032 0.000 2.235 6100 N HA 0.326 5.066 4.740 0.000 0.000 0.293 6100 N C -0.942 174.609 175.510 0.069 0.000 1.083 6100 N CA -0.410 52.675 53.050 0.059 0.000 0.801 6100 N CB 2.274 40.810 38.487 0.081 0.000 1.559 6100 N HN 0.265 nan 8.380 nan 0.000 0.472 6101 S N 0.590 116.337 115.700 0.077 0.000 2.627 6101 S HA 0.612 5.082 4.470 0.000 0.000 0.283 6101 S C -1.080 173.575 174.600 0.091 0.000 1.127 6101 S CA -0.749 57.497 58.200 0.077 0.000 0.863 6101 S CB 2.722 65.947 63.200 0.043 0.000 1.121 6101 S HN 0.524 nan 8.310 nan 0.000 0.479 6102 Q N 0.222 120.071 119.800 0.082 0.000 2.456 6102 Q HA 0.486 4.826 4.340 0.000 0.000 0.283 6102 Q C 0.219 176.218 176.000 -0.002 0.000 1.084 6102 Q CA -0.947 54.906 55.803 0.083 0.000 0.801 6102 Q CB 2.222 31.063 28.738 0.171 0.000 1.434 6102 Q HN 0.700 nan 8.270 nan 0.000 0.419 6103 M N -0.223 119.380 119.600 0.006 0.000 2.276 6103 M HA 0.065 4.545 4.480 0.000 0.000 0.262 6103 M C 0.008 176.270 176.300 -0.063 0.000 1.098 6103 M CA 0.621 55.902 55.300 -0.032 0.000 1.167 6103 M CB 0.229 32.831 32.600 0.002 0.000 1.337 6103 M HN 0.709 nan 8.290 nan 0.000 0.446 6104 S N 2.408 118.119 115.700 0.018 0.000 3.391 6104 S HA -0.101 4.369 4.470 0.000 0.000 0.458 6104 S C -0.542 174.083 174.600 0.041 0.000 0.812 6104 S CA 0.354 58.613 58.200 0.098 0.000 1.366 6104 S CB -0.920 62.403 63.200 0.204 0.000 0.943 6104 S HN 0.449 nan 8.310 nan 0.000 0.680 6105 E N 0.814 121.007 120.200 -0.011 0.000 2.212 6105 E HA 0.780 5.130 4.350 0.000 0.000 0.270 6105 E C -0.072 176.379 176.600 -0.249 0.000 0.956 6105 E CA -0.730 55.568 56.400 -0.169 0.000 0.825 6105 E CB 1.761 31.310 29.700 -0.251 0.000 1.167 6105 E HN 0.620 nan 8.360 nan 0.000 0.400 6106 A N 2.451 124.993 122.820 -0.463 0.000 2.500 6106 A HA 0.481 4.801 4.320 0.000 0.000 0.288 6106 A C -1.777 175.611 177.584 -0.326 0.000 1.045 6106 A CA -0.585 51.241 52.037 -0.352 0.000 0.830 6106 A CB 0.192 19.112 19.000 -0.134 0.000 1.337 6106 A HN 0.619 nan 8.150 nan 0.000 0.400 6107 Y N 0.301 120.522 120.300 -0.131 0.000 2.686 6107 Y HA 0.784 5.334 4.550 0.000 0.000 0.330 6107 Y C 0.069 175.887 175.900 -0.136 0.000 1.082 6107 Y CA -1.651 56.331 58.100 -0.196 0.000 1.158 6107 Y CB 2.270 40.551 38.460 -0.297 0.000 1.333 6107 Y HN 0.356 nan 8.280 nan 0.000 0.519 6108 V N 1.140 121.073 119.914 0.032 0.000 2.488 6108 V HA 0.252 4.372 4.120 0.000 0.000 0.293 6108 V C -0.790 175.267 176.094 -0.060 0.000 1.027 6108 V CA -0.960 61.325 62.300 -0.024 0.000 0.862 6108 V CB 1.313 33.085 31.823 -0.084 0.000 1.008 6108 V HN 0.722 nan 8.190 nan 0.000 0.428 6109 E N 3.325 123.527 120.200 0.004 0.000 2.232 6109 E HA 0.606 4.956 4.350 0.000 0.000 0.265 6109 E C -0.754 175.919 176.600 0.122 0.000 1.001 6109 E CA -1.008 55.407 56.400 0.024 0.000 0.870 6109 E CB 2.081 31.799 29.700 0.030 0.000 1.175 6109 E HN 0.494 nan 8.360 nan 0.000 0.407 6110 L N 2.164 123.481 121.223 0.156 0.000 2.499 6110 L HA 0.002 4.342 4.340 0.000 0.000 0.273 6110 L C 0.836 177.819 176.870 0.188 0.000 1.195 6110 L CA -0.151 54.856 54.840 0.279 0.000 0.882 6110 L CB -0.020 42.169 42.059 0.215 0.000 1.133 6110 L HN 0.575 nan 8.230 nan 0.000 0.483 6111 S N 2.408 118.219 115.700 0.185 0.000 2.587 6111 S HA 0.186 4.656 4.470 0.000 0.000 0.260 6111 S C 1.099 175.719 174.600 0.034 0.000 1.353 6111 S CA -0.170 58.080 58.200 0.083 0.000 0.995 6111 S CB 1.167 64.388 63.200 0.034 0.000 0.912 6111 S HN 0.689 nan 8.310 nan 0.000 0.568 6112 A N 0.162 122.991 122.820 0.015 0.000 2.016 6112 A HA 0.063 4.383 4.320 0.000 0.000 0.217 6112 A C 1.469 179.035 177.584 -0.030 0.000 1.162 6112 A CA 0.864 52.901 52.037 0.000 0.000 0.662 6112 A CB -0.555 18.448 19.000 0.005 0.000 0.812 6112 A HN 0.815 nan 8.150 nan 0.000 0.450 6113 D N -1.115 119.256 120.400 -0.048 0.000 2.340 6113 D HA 0.042 4.682 4.640 0.000 0.000 0.220 6113 D C 1.247 177.455 176.300 -0.154 0.000 1.039 6113 D CA 0.197 54.149 54.000 -0.079 0.000 0.866 6113 D CB -0.162 40.599 40.800 -0.063 0.000 0.913 6113 D HN 0.382 nan 8.370 nan 0.000 0.523 6114 C N 0.533 119.723 119.300 -0.184 0.000 2.495 6114 C HA 0.132 4.592 4.460 0.000 0.000 0.275 6114 C C 2.735 177.411 174.990 -0.524 0.000 1.392 6114 C CA 0.432 59.217 59.018 -0.387 0.000 1.766 6114 C CB -0.678 26.922 27.740 -0.233 0.000 1.933 6114 C HN 0.381 nan 8.230 nan 0.000 0.519 6115 A N 0.299 122.993 122.820 -0.210 0.000 1.940 6115 A HA -0.147 4.173 4.320 0.000 0.000 0.219 6115 A C 2.200 179.718 177.584 -0.109 0.000 1.176 6115 A CA 2.520 54.497 52.037 -0.100 0.000 0.631 6115 A CB -0.464 18.518 19.000 -0.030 0.000 0.814 6115 A HN 0.570 nan 8.150 nan 0.000 0.446 6116 S N -0.394 115.221 115.700 -0.142 0.000 2.289 6116 S HA 0.043 4.513 4.470 0.000 0.000 0.193 6116 S C 0.273 174.801 174.600 -0.121 0.000 1.002 6116 S CA -0.115 58.030 58.200 -0.091 0.000 0.951 6116 S CB -0.363 62.800 63.200 -0.061 0.000 0.920 6116 S HN 0.563 nan 8.310 nan 0.000 0.502 6117 D N 1.771 122.083 120.400 -0.145 0.000 2.458 6117 D HA 0.297 4.937 4.640 0.000 0.000 0.243 6117 D C -0.056 176.114 176.300 -0.218 0.000 1.146 6117 D CA 0.876 54.805 54.000 -0.119 0.000 0.877 6117 D CB 0.362 41.111 40.800 -0.083 0.000 1.176 6117 D HN 0.289 nan 8.370 nan 0.000 0.461 6118 H N -0.312 118.706 119.070 -0.088 0.000 3.110 6118 H HA 0.706 5.262 4.556 0.000 0.000 0.277 6118 H C -1.248 173.963 175.328 -0.196 0.000 1.571 6118 H CA -0.801 55.163 56.048 -0.140 0.000 1.206 6118 H CB 1.637 31.335 29.762 -0.105 0.000 1.852 6118 H HN 0.365 nan 8.280 nan 0.000 0.629 6119 A N 1.283 124.067 122.820 -0.061 0.000 2.429 6119 A HA 0.437 4.757 4.320 0.000 0.000 0.289 6119 A C -1.314 176.152 177.584 -0.197 0.000 1.043 6119 A CA -0.640 51.244 52.037 -0.254 0.000 0.722 6119 A CB 1.238 20.045 19.000 -0.322 0.000 1.243 6119 A HN 0.511 nan 8.150 nan 0.000 0.415 6120 Q N 1.629 121.319 119.800 -0.183 0.000 2.368 6120 Q HA 0.566 4.906 4.340 0.000 0.000 0.256 6120 Q C 0.036 175.935 176.000 -0.168 0.000 0.980 6120 Q CA -0.452 55.266 55.803 -0.143 0.000 0.887 6120 Q CB 1.990 30.664 28.738 -0.106 0.000 1.221 6120 Q HN 0.888 nan 8.270 nan 0.000 0.458 6121 A N 4.497 127.228 122.820 -0.148 0.000 2.409 6121 A HA 0.586 4.906 4.320 0.000 0.000 0.267 6121 A C -0.329 177.208 177.584 -0.079 0.000 1.127 6121 A CA -0.007 51.905 52.037 -0.208 0.000 0.795 6121 A CB 0.146 19.078 19.000 -0.113 0.000 1.061 6121 A HN 0.768 nan 8.150 nan 0.000 0.502 6122 I N 1.050 121.552 120.570 -0.113 0.000 3.095 6122 I HA 0.367 4.537 4.170 0.000 0.000 0.310 6122 I C -0.312 175.763 176.117 -0.071 0.000 1.196 6122 I CA -0.732 60.528 61.300 -0.068 0.000 0.985 6122 I CB 2.661 40.597 38.000 -0.106 0.000 1.250 6122 I HN 0.527 nan 8.210 nan 0.000 0.446 6123 K N 2.971 123.334 120.400 -0.062 0.000 2.484 6123 K HA 0.436 4.756 4.320 0.000 0.000 0.226 6123 K C -1.066 175.362 176.600 -0.288 0.000 1.031 6123 K CA -0.491 55.726 56.287 -0.116 0.000 1.026 6123 K CB 1.599 34.112 32.500 0.022 0.000 1.412 6123 K HN 0.267 nan 8.250 nan 0.000 0.492 6124 V N 4.538 124.258 119.914 -0.322 0.000 2.599 6124 V HA -0.025 4.095 4.120 0.000 0.000 0.300 6124 V C 0.571 176.333 176.094 -0.554 0.000 1.034 6124 V CA 0.623 62.735 62.300 -0.313 0.000 1.115 6124 V CB 0.023 31.727 31.823 -0.198 0.000 0.934 6124 V HN 0.698 nan 8.190 nan 0.000 0.485 6125 H N 1.213 120.265 119.070 -0.029 0.000 3.742 6125 H HA 0.271 4.827 4.556 0.000 0.000 0.342 6125 H C 0.300 175.610 175.328 -0.030 0.000 1.682 6125 H CA -0.601 55.429 56.048 -0.031 0.000 1.177 6125 H CB 0.497 30.248 29.762 -0.020 0.000 1.602 6125 H HN 0.450 nan 8.280 nan 0.000 0.699 6126 T N 1.912 116.550 114.554 0.140 0.000 2.417 6126 T HA 0.031 4.381 4.350 0.000 0.000 0.202 6126 T C 0.428 175.148 174.700 0.033 0.000 1.204 6126 T CA 0.504 62.632 62.100 0.048 0.000 3.616 6126 T CB -1.384 67.498 68.868 0.023 0.000 0.734 6126 T HN 0.562 nan 8.240 nan 0.000 0.256 6127 A N 2.980 125.812 122.820 0.021 0.000 2.488 6127 A HA 0.610 4.930 4.320 0.000 0.000 0.249 6127 A C 0.803 178.400 177.584 0.021 0.000 1.083 6127 A CA -0.241 51.812 52.037 0.028 0.000 0.768 6127 A CB 0.226 19.248 19.000 0.037 0.000 1.017 6127 A HN 1.002 nan 8.150 nan 0.000 0.496 6128 A N 2.876 125.717 122.820 0.035 0.000 2.269 6128 A HA 0.851 5.171 4.320 0.000 0.000 0.319 6128 A C -0.031 177.581 177.584 0.047 0.000 1.110 6128 A CA -0.518 51.546 52.037 0.044 0.000 0.847 6128 A CB 0.640 19.676 19.000 0.060 0.000 1.161 6128 A HN 0.860 nan 8.150 nan 0.000 0.497 6129 M N 0.409 120.042 119.600 0.055 0.000 2.446 6129 M HA 0.446 4.926 4.480 0.000 0.000 0.294 6129 M C -1.311 175.010 176.300 0.035 0.000 1.158 6129 M CA -0.206 55.124 55.300 0.049 0.000 0.899 6129 M CB 2.707 35.337 32.600 0.050 0.000 1.687 6129 M HN 0.628 nan 8.290 nan 0.000 0.455 6130 K N 2.208 122.605 120.400 -0.005 0.000 2.656 6130 K HA 0.587 4.907 4.320 0.000 0.000 0.253 6130 K C -1.750 174.823 176.600 -0.044 0.000 1.002 6130 K CA -0.619 55.624 56.287 -0.073 0.000 0.880 6130 K CB 2.699 35.062 32.500 -0.228 0.000 1.232 6130 K HN 0.411 nan 8.250 nan 0.000 0.456 6131 V N 1.444 121.349 119.914 -0.015 0.000 2.407 6131 V HA 0.386 4.506 4.120 0.000 0.000 0.291 6131 V C 0.473 176.568 176.094 0.002 0.000 1.018 6131 V CA -0.913 61.386 62.300 -0.001 0.000 0.842 6131 V CB 1.771 33.608 31.823 0.024 0.000 0.996 6131 V HN 0.909 nan 8.190 nan 0.000 0.426 6132 G N 5.812 114.607 108.800 -0.008 0.000 2.605 6132 G HA2 0.426 4.386 3.960 0.000 0.000 0.301 6132 G HA3 0.426 4.386 3.960 0.000 0.000 0.301 6132 G C -0.256 174.658 174.900 0.025 0.000 0.881 6132 G CA -0.196 44.908 45.100 0.006 0.000 1.553 6132 G HN 0.616 nan 8.290 nan 0.000 0.483 6133 L N 2.770 124.022 121.223 0.048 0.000 2.290 6133 L HA 0.337 4.677 4.340 0.000 0.000 0.284 6133 L C 1.102 178.027 176.870 0.093 0.000 1.078 6133 L CA -0.667 54.211 54.840 0.062 0.000 0.815 6133 L CB 1.024 43.119 42.059 0.059 0.000 1.162 6133 L HN 0.398 nan 8.230 nan 0.000 0.435 6134 R N 3.703 124.265 120.500 0.102 0.000 2.590 6134 R HA 0.461 4.801 4.340 0.000 0.000 0.274 6134 R C -0.653 175.705 176.300 0.098 0.000 1.061 6134 R CA -0.010 56.212 56.100 0.203 0.000 1.081 6134 R CB 0.689 31.097 30.300 0.180 0.000 0.984 6134 R HN 0.524 nan 8.270 nan 0.000 0.448 6135 I N 2.422 123.033 120.570 0.067 0.000 2.498 6135 I HA 0.365 4.535 4.170 0.000 0.000 0.290 6135 I C -0.805 175.198 176.117 -0.190 0.000 1.032 6135 I CA -0.950 60.281 61.300 -0.115 0.000 1.073 6135 I CB 2.179 40.138 38.000 -0.068 0.000 1.251 6135 I HN 0.215 nan 8.210 nan 0.000 0.426 6136 V N 6.379 126.070 119.914 -0.372 0.000 2.733 6136 V HA 0.360 4.480 4.120 0.000 0.000 0.306 6136 V C -1.000 174.824 176.094 -0.449 0.000 1.084 6136 V CA -0.394 61.742 62.300 -0.275 0.000 0.905 6136 V CB 2.020 33.758 31.823 -0.141 0.000 1.010 6136 V HN 0.704 nan 8.190 nan 0.000 0.424 6137 Y N 2.786 123.070 120.300 -0.026 0.000 2.898 6137 Y HA 0.547 5.097 4.550 0.000 0.000 0.249 6137 Y C 0.928 176.804 175.900 -0.039 0.000 1.108 6137 Y CA 0.206 58.280 58.100 -0.042 0.000 1.184 6137 Y CB 1.618 40.034 38.460 -0.073 0.000 1.245 6137 Y HN 0.929 nan 8.280 nan 0.000 0.611 6138 G N 0.374 109.235 108.800 0.101 0.000 2.251 6138 G HA2 -0.185 3.775 3.960 0.000 0.000 0.058 6138 G HA3 -0.185 3.775 3.960 0.000 0.000 0.058 6138 G C 0.007 174.931 174.900 0.040 0.000 0.922 6138 G CA -0.172 44.969 45.100 0.070 0.000 1.133 6138 G HN 0.017 nan 8.290 nan 0.000 0.410 6139 N N 0.957 119.676 118.700 0.032 0.000 2.373 6139 N HA 0.179 4.919 4.740 0.000 0.000 0.181 6139 N C 0.324 175.830 175.510 -0.006 0.000 1.082 6139 N CA 0.851 53.912 53.050 0.018 0.000 0.885 6139 N CB 0.364 38.867 38.487 0.026 0.000 0.977 6139 N HN 0.428 nan 8.380 nan 0.000 0.462 6140 T N 0.301 114.848 114.554 -0.012 0.000 2.909 6140 T HA 0.372 4.722 4.350 0.000 0.000 0.286 6140 T C 0.073 174.716 174.700 -0.094 0.000 1.002 6140 T CA -0.018 62.053 62.100 -0.047 0.000 1.074 6140 T CB 1.543 70.392 68.868 -0.032 0.000 0.984 6140 T HN -0.064 nan 8.240 nan 0.000 0.495 6141 T N 1.927 116.376 114.554 -0.174 0.000 3.209 6141 T HA 0.383 4.733 4.350 0.000 0.000 0.366 6141 T C -0.072 174.273 174.700 -0.592 0.000 1.293 6141 T CA -0.901 61.010 62.100 -0.315 0.000 1.417 6141 T CB 0.180 68.887 68.868 -0.270 0.000 1.013 6141 T HN 0.617 nan 8.240 nan 0.000 0.572 6142 S N 1.764 117.180 115.700 -0.473 0.000 2.525 6142 S HA 0.821 5.291 4.470 0.000 0.000 0.290 6142 S C -0.639 173.696 174.600 -0.442 0.000 1.152 6142 S CA -0.875 57.046 58.200 -0.465 0.000 1.072 6142 S CB 0.882 63.975 63.200 -0.179 0.000 1.027 6142 S HN 0.463 nan 8.310 nan 0.000 0.500 6143 F N 1.681 121.630 119.950 -0.003 0.000 2.477 6143 F HA 0.566 5.093 4.527 0.000 0.000 0.335 6143 F C -0.178 175.624 175.800 0.004 0.000 1.130 6143 F CA -0.970 57.027 58.000 -0.005 0.000 0.948 6143 F CB 1.301 40.296 39.000 -0.008 0.000 1.154 6143 F HN 0.275 nan 8.300 nan 0.000 0.439 6144 L N 3.042 124.373 121.223 0.180 0.000 2.370 6144 L HA 0.450 4.790 4.340 0.000 0.000 0.266 6144 L C -0.883 176.038 176.870 0.085 0.000 1.002 6144 L CA -1.033 53.873 54.840 0.111 0.000 0.818 6144 L CB 2.334 44.446 42.059 0.088 0.000 1.325 6144 L HN 0.499 nan 8.230 nan 0.000 0.418 6145 D N 3.064 123.500 120.400 0.061 0.000 2.468 6145 D HA 0.237 4.877 4.640 0.000 0.000 0.218 6145 D C -0.494 175.822 176.300 0.028 0.000 1.155 6145 D CA -0.004 54.003 54.000 0.011 0.000 0.924 6145 D CB 1.692 42.477 40.800 -0.026 0.000 1.029 6145 D HN 0.001 nan 8.370 nan 0.000 0.515 6146 V N 2.876 122.818 119.914 0.046 0.000 2.427 6146 V HA 0.154 4.274 4.120 0.000 0.000 0.286 6146 V C -0.203 175.960 176.094 0.114 0.000 1.034 6146 V CA -0.906 61.472 62.300 0.130 0.000 0.893 6146 V CB 0.708 32.602 31.823 0.119 0.000 0.982 6146 V HN 0.303 nan 8.190 nan 0.000 0.452 6147 Y N 2.807 123.120 120.300 0.021 0.000 2.442 6147 Y HA 0.214 4.764 4.550 0.000 0.000 0.330 6147 Y C 0.643 176.553 175.900 0.016 0.000 1.129 6147 Y CA -0.451 57.659 58.100 0.017 0.000 1.365 6147 Y CB 0.465 38.933 38.460 0.012 0.000 1.233 6147 Y HN 0.352 nan 8.280 nan 0.000 0.529 6148 V N 5.197 125.198 119.914 0.144 0.000 2.326 6148 V HA 0.191 4.311 4.120 0.000 0.000 0.249 6148 V C 0.014 176.155 176.094 0.078 0.000 1.114 6148 V CA -0.015 62.339 62.300 0.089 0.000 1.028 6148 V CB -1.069 30.789 31.823 0.059 0.000 1.170 6148 V HN 0.766 nan 8.190 nan 0.000 0.494 6149 N N 2.899 121.640 118.700 0.068 0.000 2.935 6149 N HA 0.286 5.026 4.740 0.000 0.000 0.248 6149 N C 0.495 176.019 175.510 0.022 0.000 1.276 6149 N CA 0.051 53.124 53.050 0.038 0.000 0.906 6149 N CB 2.171 40.682 38.487 0.039 0.000 1.564 6149 N HN 0.356 nan 8.380 nan 0.000 0.500 6150 G N -0.018 108.786 108.800 0.007 0.000 3.262 6150 G HA2 0.218 4.178 3.960 0.000 0.000 0.228 6150 G HA3 0.218 4.178 3.960 0.000 0.000 0.228 6150 G C 0.694 175.590 174.900 -0.007 0.000 1.197 6150 G CA 0.322 45.423 45.100 0.001 0.000 0.819 6150 G HN 0.316 nan 8.290 nan 0.000 0.531 6151 V N -0.538 119.368 119.914 -0.013 0.000 3.013 6151 V HA 0.100 4.220 4.120 0.000 0.000 0.238 6151 V C 1.269 177.338 176.094 -0.041 0.000 1.161 6151 V CA 0.865 63.148 62.300 -0.028 0.000 1.170 6151 V CB 0.283 32.085 31.823 -0.036 0.000 0.917 6151 V HN 0.149 nan 8.190 nan 0.000 0.478 6152 T N 4.531 119.056 114.554 -0.048 0.000 2.747 6152 T HA 0.328 4.678 4.350 0.000 0.000 0.301 6152 T C -2.006 172.681 174.700 -0.022 0.000 0.952 6152 T CA -0.670 61.385 62.100 -0.074 0.000 0.983 6152 T CB 1.165 69.932 68.868 -0.168 0.000 0.930 6152 T HN 0.334 nan 8.240 nan 0.000 0.494 6153 P HA 0.502 nan 4.420 nan 0.000 0.289 6153 P C 0.277 177.589 177.300 0.019 0.000 1.299 6153 P CA -0.351 62.752 63.100 0.005 0.000 0.766 6153 P CB 0.950 32.648 31.700 -0.004 0.000 1.226 6154 G N -1.878 106.940 108.800 0.030 0.000 3.209 6154 G HA2 0.593 4.553 3.960 0.000 0.000 0.236 6154 G HA3 0.593 4.553 3.960 0.000 0.000 0.236 6154 G C -0.284 174.635 174.900 0.032 0.000 1.329 6154 G CA -0.108 45.016 45.100 0.041 0.000 1.015 6154 G HN 0.441 nan 8.290 nan 0.000 0.571 6155 T N -1.571 113.006 114.554 0.038 0.000 3.689 6155 T HA 0.123 4.473 4.350 0.000 0.000 0.293 6155 T C 2.089 176.808 174.700 0.031 0.000 0.955 6155 T CA 1.529 63.646 62.100 0.028 0.000 1.130 6155 T CB -0.652 68.230 68.868 0.023 0.000 1.138 6155 T HN 1.530 nan 8.240 nan 0.000 0.477 6156 S N 3.292 119.014 115.700 0.037 0.000 4.155 6156 S HA -0.389 4.081 4.470 0.000 0.000 0.538 6156 S C 0.681 175.294 174.600 0.022 0.000 1.284 6156 S CA 2.248 60.468 58.200 0.034 0.000 3.676 6156 S CB -1.506 61.728 63.200 0.057 0.000 1.966 6156 S HN 0.881 nan 8.310 nan 0.000 0.455 6157 K N 1.801 122.221 120.400 0.032 0.000 2.961 6157 K HA 0.528 4.848 4.320 0.000 0.000 0.187 6157 K C -0.797 175.808 176.600 0.008 0.000 1.110 6157 K CA 0.064 56.363 56.287 0.020 0.000 0.968 6157 K CB 0.256 32.776 32.500 0.035 0.000 1.287 6157 K HN 0.385 nan 8.250 nan 0.000 0.578 6158 D N 1.142 121.545 120.400 0.004 0.000 2.983 6158 D HA -0.171 4.469 4.640 0.000 0.000 0.225 6158 D C -0.486 175.807 176.300 -0.012 0.000 1.174 6158 D CA 1.000 54.997 54.000 -0.004 0.000 0.831 6158 D CB -0.679 40.116 40.800 -0.009 0.000 1.104 6158 D HN 0.503 nan 8.370 nan 0.000 0.421 6159 L N -0.163 121.058 121.223 -0.003 0.000 2.354 6159 L HA 0.367 4.707 4.340 0.000 0.000 0.269 6159 L C 0.798 177.674 176.870 0.011 0.000 1.005 6159 L CA -0.820 54.014 54.840 -0.011 0.000 0.819 6159 L CB 1.936 43.981 42.059 -0.023 0.000 1.311 6159 L HN -0.338 nan 8.230 nan 0.000 0.423 6160 K N 2.428 122.832 120.400 0.006 0.000 2.180 6160 K HA 0.291 4.611 4.320 0.000 0.000 0.250 6160 K C -0.883 175.735 176.600 0.030 0.000 1.135 6160 K CA -0.342 55.955 56.287 0.015 0.000 1.037 6160 K CB 0.700 33.204 32.500 0.006 0.000 1.624 6160 K HN 0.264 nan 8.250 nan 0.000 0.382 6161 V N 4.827 124.770 119.914 0.049 0.000 2.427 6161 V HA 0.188 4.308 4.120 0.000 0.000 0.268 6161 V C 0.385 176.513 176.094 0.056 0.000 1.046 6161 V CA -0.237 62.105 62.300 0.069 0.000 0.970 6161 V CB 0.235 32.116 31.823 0.096 0.000 1.001 6161 V HN 0.511 nan 8.190 nan 0.000 0.476 6162 I N 3.838 124.438 120.570 0.050 0.000 2.377 6162 I HA 0.450 4.620 4.170 0.000 0.000 0.293 6162 I C 1.227 177.370 176.117 0.043 0.000 0.987 6162 I CA -0.445 60.880 61.300 0.040 0.000 1.185 6162 I CB 1.853 39.869 38.000 0.026 0.000 1.341 6162 I HN 0.662 nan 8.210 nan 0.000 0.455 6163 A N 4.801 127.650 122.820 0.047 0.000 1.854 6163 A HA 0.372 4.692 4.320 0.000 0.000 0.214 6163 A C 1.201 178.801 177.584 0.027 0.000 1.192 6163 A CA 1.014 53.078 52.037 0.044 0.000 0.611 6163 A CB -0.720 18.318 19.000 0.063 0.000 0.832 6163 A HN 1.188 nan 8.150 nan 0.000 0.442 6164 G N -0.907 107.908 108.800 0.024 0.000 2.862 6164 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 6164 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 6164 G C -2.750 172.154 174.900 0.007 0.000 1.134 6164 G CA -0.307 44.800 45.100 0.011 0.000 0.791 6164 G HN 0.481 nan 8.290 nan 0.000 0.592 6165 P HA 0.342 nan 4.420 nan 0.000 0.271 6165 P C 0.693 177.984 177.300 -0.016 0.000 1.220 6165 P CA -0.051 63.044 63.100 -0.009 0.000 0.768 6165 P CB 0.674 32.363 31.700 -0.018 0.000 0.848 6166 I N 2.223 122.782 120.570 -0.018 0.000 2.696 6166 I HA -0.058 4.112 4.170 0.000 0.000 0.284 6166 I C 1.986 178.081 176.117 -0.037 0.000 1.129 6166 I CA 0.154 61.442 61.300 -0.019 0.000 1.410 6166 I CB 0.354 38.351 38.000 -0.006 0.000 1.399 6166 I HN 0.389 nan 8.210 nan 0.000 0.579 6167 S N 3.147 118.832 115.700 -0.024 0.000 2.522 6167 S HA 0.122 4.592 4.470 0.000 0.000 0.227 6167 S C 0.817 175.390 174.600 -0.045 0.000 0.986 6167 S CA 0.022 58.203 58.200 -0.031 0.000 0.929 6167 S CB -0.019 63.177 63.200 -0.007 0.000 0.769 6167 S HN 0.704 nan 8.310 nan 0.000 0.529 6168 A N 2.134 124.935 122.820 -0.030 0.000 2.260 6168 A HA 0.603 4.923 4.320 0.000 0.000 0.312 6168 A C 0.685 178.127 177.584 -0.236 0.000 1.321 6168 A CA -0.412 51.615 52.037 -0.017 0.000 0.928 6168 A CB 0.424 19.515 19.000 0.151 0.000 1.158 6168 A HN 0.507 nan 8.150 nan 0.000 0.542 6169 S N 1.824 117.221 115.700 -0.504 0.000 2.526 6169 S HA 0.372 4.842 4.470 0.000 0.000 0.247 6169 S C -0.505 173.732 174.600 -0.604 0.000 1.076 6169 S CA -0.391 57.516 58.200 -0.490 0.000 1.105 6169 S CB -0.844 62.114 63.200 -0.404 0.000 0.793 6169 S HN 0.409 nan 8.310 nan 0.000 0.458 6170 F N 2.084 121.842 119.950 -0.320 0.000 2.404 6170 F HA 0.425 4.952 4.527 0.000 0.000 0.358 6170 F C 0.839 176.410 175.800 -0.382 0.000 1.120 6170 F CA -0.486 57.341 58.000 -0.289 0.000 1.144 6170 F CB 1.056 39.926 39.000 -0.216 0.000 1.133 6170 F HN -0.005 nan 8.300 nan 0.000 0.495 6171 T N 4.889 119.401 114.554 -0.071 0.000 2.824 6171 T HA 0.242 4.592 4.350 0.000 0.000 0.280 6171 T C -1.358 173.302 174.700 -0.068 0.000 0.995 6171 T CA -1.115 60.940 62.100 -0.074 0.000 1.009 6171 T CB 1.753 70.606 68.868 -0.025 0.000 0.955 6171 T HN 0.400 nan 8.240 nan 0.000 0.452 6172 P HA 0.077 nan 4.420 nan 0.000 0.229 6172 P C -0.262 176.785 177.300 -0.422 0.000 1.160 6172 P CA 0.427 63.319 63.100 -0.347 0.000 0.777 6172 P CB 0.149 31.525 31.700 -0.540 0.000 0.814 6173 F N 0.330 120.278 119.950 -0.003 0.000 2.420 6173 F HA 0.288 4.815 4.527 0.000 0.000 0.342 6173 F C 1.322 177.075 175.800 -0.079 0.000 1.113 6173 F CA -0.988 56.987 58.000 -0.043 0.000 1.059 6173 F CB 0.742 39.706 39.000 -0.061 0.000 1.128 6173 F HN -0.248 nan 8.300 nan 0.000 0.475 6174 D N 0.572 121.026 120.400 0.090 0.000 2.261 6174 D HA 0.059 4.699 4.640 0.000 0.000 0.289 6174 D C 1.696 177.908 176.300 -0.147 0.000 1.162 6174 D CA 0.187 54.164 54.000 -0.038 0.000 1.089 6174 D CB 0.197 41.039 40.800 0.070 0.000 1.162 6174 D HN 0.487 nan 8.370 nan 0.000 0.521 6175 H N -0.351 118.713 119.070 -0.010 0.000 2.428 6175 H HA 0.139 4.695 4.556 0.000 0.000 0.296 6175 H C 0.194 175.429 175.328 -0.155 0.000 1.062 6175 H CA 0.894 56.884 56.048 -0.097 0.000 1.350 6175 H CB 0.550 30.316 29.762 0.006 0.000 1.403 6175 H HN 0.038 nan 8.280 nan 0.000 0.533 6176 K N 0.946 121.378 120.400 0.053 0.000 2.482 6176 K HA 0.487 4.807 4.320 0.000 0.000 0.251 6176 K C -1.361 175.220 176.600 -0.032 0.000 0.936 6176 K CA -0.435 55.849 56.287 -0.005 0.000 0.791 6176 K CB 3.594 36.126 32.500 0.054 0.000 1.213 6176 K HN -0.214 nan 8.250 nan 0.000 0.428 6177 V N 3.257 123.107 119.914 -0.107 0.000 2.524 6177 V HA 0.304 4.424 4.120 0.000 0.000 0.297 6177 V C -0.634 175.348 176.094 -0.186 0.000 1.035 6177 V CA -0.899 61.321 62.300 -0.135 0.000 0.867 6177 V CB 1.861 33.586 31.823 -0.162 0.000 1.004 6177 V HN 0.483 nan 8.190 nan 0.000 0.426 6178 V N 5.987 125.781 119.914 -0.199 0.000 2.547 6178 V HA 0.538 4.658 4.120 0.000 0.000 0.299 6178 V C 0.070 176.165 176.094 0.001 0.000 1.040 6178 V CA -0.603 61.593 62.300 -0.174 0.000 0.913 6178 V CB 2.077 33.750 31.823 -0.251 0.000 0.992 6178 V HN 0.660 nan 8.190 nan 0.000 0.449 6179 I N 3.770 124.316 120.570 -0.039 0.000 2.499 6179 I HA 0.436 4.606 4.170 0.000 0.000 0.296 6179 I C -0.219 175.907 176.117 0.014 0.000 0.992 6179 I CA -0.352 60.963 61.300 0.025 0.000 1.297 6179 I CB 0.697 38.669 38.000 -0.047 0.000 1.410 6179 I HN 0.567 nan 8.210 nan 0.000 0.507 6180 H N 6.326 125.495 119.070 0.166 0.000 3.240 6180 H HA 0.378 4.934 4.556 0.000 0.000 0.326 6180 H C 0.030 175.453 175.328 0.159 0.000 1.015 6180 H CA -0.492 55.691 56.048 0.226 0.000 1.504 6180 H CB 1.504 31.530 29.762 0.441 0.000 1.754 6180 H HN 0.685 nan 8.280 nan 0.000 0.505 6181 R N 1.838 122.440 120.500 0.169 0.000 1.368 6181 R HA -0.243 4.097 4.340 0.000 0.000 0.041 6181 R C 0.798 177.143 176.300 0.075 0.000 0.958 6181 R CA 2.067 58.234 56.100 0.113 0.000 1.925 6181 R CB -1.404 28.976 30.300 0.134 0.000 0.221 6181 R HN 0.755 nan 8.270 nan 0.000 0.717 6182 G N 0.130 108.976 108.800 0.077 0.000 5.414 6182 G HA2 0.495 4.455 3.960 0.000 0.000 0.202 6182 G HA3 0.495 4.455 3.960 0.000 0.000 0.202 6182 G C -0.595 174.306 174.900 0.001 0.000 0.727 6182 G CA -0.490 44.628 45.100 0.030 0.000 0.670 6182 G HN 0.027 nan 8.290 nan 0.000 0.442 6183 L N -0.372 120.851 121.223 -0.001 0.000 2.303 6183 L HA 0.807 5.147 4.340 0.000 0.000 0.256 6183 L C -0.708 176.032 176.870 -0.217 0.000 1.034 6183 L CA -1.483 53.262 54.840 -0.158 0.000 0.832 6183 L CB 2.692 44.588 42.059 -0.271 0.000 1.403 6183 L HN -0.135 nan 8.230 nan 0.000 0.419 6184 V N 0.827 120.502 119.914 -0.397 0.000 2.482 6184 V HA 0.445 4.565 4.120 0.000 0.000 0.295 6184 V C -1.281 174.573 176.094 -0.400 0.000 1.026 6184 V CA -0.578 61.565 62.300 -0.261 0.000 0.856 6184 V CB 1.373 33.166 31.823 -0.050 0.000 1.001 6184 V HN 0.434 nan 8.190 nan 0.000 0.424 6185 Y N 2.131 122.287 120.300 -0.241 0.000 2.587 6185 Y HA 0.553 5.103 4.550 0.000 0.000 0.337 6185 Y C 0.546 176.220 175.900 -0.376 0.000 1.065 6185 Y CA -1.333 56.529 58.100 -0.396 0.000 1.126 6185 Y CB 1.302 39.233 38.460 -0.882 0.000 1.279 6185 Y HN 0.437 nan 8.280 nan 0.000 0.489 6186 N N 1.600 120.275 118.700 -0.042 0.000 2.589 6186 N HA 0.205 4.945 4.740 0.000 0.000 0.232 6186 N C -1.506 174.098 175.510 0.156 0.000 1.015 6186 N CA -0.227 52.852 53.050 0.048 0.000 0.931 6186 N CB 0.003 38.555 38.487 0.109 0.000 1.150 6186 N HN 0.601 nan 8.380 nan 0.000 0.512 6187 Y N -0.275 120.054 120.300 0.048 0.000 2.457 6187 Y HA 0.216 4.766 4.550 0.000 0.000 0.333 6187 Y C 0.661 176.578 175.900 0.029 0.000 1.119 6187 Y CA -0.973 57.118 58.100 -0.016 0.000 1.143 6187 Y CB 1.936 40.280 38.460 -0.193 0.000 1.230 6187 Y HN 0.233 nan 8.280 nan 0.000 0.469 6188 D N 3.019 123.546 120.400 0.212 0.000 3.133 6188 D HA 0.148 4.788 4.640 0.000 0.000 0.288 6188 D C -0.845 175.542 176.300 0.144 0.000 1.346 6188 D CA -0.132 53.972 54.000 0.173 0.000 0.934 6188 D CB -0.208 40.691 40.800 0.166 0.000 1.042 6188 D HN 0.216 nan 8.370 nan 0.000 0.506 6189 F N 2.419 122.278 119.950 -0.152 0.000 2.563 6189 F HA 0.143 4.670 4.527 0.000 0.000 0.363 6189 F C -1.086 174.724 175.800 0.017 0.000 1.123 6189 F CA -1.683 56.232 58.000 -0.142 0.000 1.307 6189 F CB 0.044 38.968 39.000 -0.127 0.000 1.115 6189 F HN 0.128 nan 8.300 nan 0.000 0.592 6190 P HA 0.018 nan 4.420 nan 0.000 0.271 6190 P C -0.715 176.700 177.300 0.191 0.000 1.233 6190 P CA -0.308 62.863 63.100 0.118 0.000 0.789 6190 P CB 0.581 32.317 31.700 0.061 0.000 0.951 6191 E N 0.104 120.419 120.200 0.192 0.000 2.373 6191 E HA 0.048 4.398 4.350 0.000 0.000 0.267 6191 E C -0.401 176.385 176.600 0.309 0.000 1.032 6191 E CA -0.161 56.403 56.400 0.274 0.000 0.889 6191 E CB 0.068 29.873 29.700 0.175 0.000 0.984 6191 E HN 0.332 nan 8.360 nan 0.000 0.425 6192 Y N 0.840 121.182 120.300 0.071 0.000 2.713 6192 Y HA 0.138 4.688 4.550 0.000 0.000 0.341 6192 Y C 1.482 177.449 175.900 0.112 0.000 1.167 6192 Y CA 0.727 58.884 58.100 0.096 0.000 1.503 6192 Y CB 0.004 38.391 38.460 -0.121 0.000 1.199 6192 Y HN 0.825 nan 8.280 nan 0.000 0.525 6193 G N 1.848 110.803 108.800 0.259 0.000 2.131 6193 G HA2 -0.054 3.906 3.960 0.000 0.000 0.223 6193 G HA3 -0.054 3.906 3.960 0.000 0.000 0.223 6193 G C 0.343 175.317 174.900 0.122 0.000 0.990 6193 G CA -0.009 45.195 45.100 0.173 0.000 0.671 6193 G HN 1.225 nan 8.290 nan 0.000 0.521 6194 A N -0.208 122.685 122.820 0.123 0.000 2.676 6194 A HA 0.739 5.059 4.320 0.000 0.000 0.258 6194 A C 0.641 178.271 177.584 0.077 0.000 0.898 6194 A CA 0.151 52.242 52.037 0.090 0.000 1.087 6194 A CB 0.025 19.080 19.000 0.091 0.000 1.214 6194 A HN 0.428 nan 8.150 nan 0.000 0.474 6195 M N 0.609 120.252 119.600 0.071 0.000 2.232 6195 M HA 0.269 4.749 4.480 0.000 0.000 0.321 6195 M C 0.088 176.407 176.300 0.031 0.000 1.101 6195 M CA 1.014 56.344 55.300 0.050 0.000 1.181 6195 M CB 0.554 33.178 32.600 0.041 0.000 1.432 6195 M HN 0.273 nan 8.290 nan 0.000 0.457 6196 K N 1.518 121.930 120.400 0.020 0.000 2.532 6196 K HA 0.342 4.662 4.320 0.000 0.000 0.265 6196 K C -2.148 174.446 176.600 -0.011 0.000 0.948 6196 K CA -1.530 54.762 56.287 0.008 0.000 0.842 6196 K CB 1.962 34.471 32.500 0.015 0.000 1.392 6196 K HN 0.315 nan 8.250 nan 0.000 0.436 6197 P HA -0.035 nan 4.420 nan 0.000 0.251 6197 P C 0.518 177.774 177.300 -0.073 0.000 1.251 6197 P CA 0.431 63.501 63.100 -0.051 0.000 0.763 6197 P CB -0.121 31.551 31.700 -0.046 0.000 1.067 6198 G N -0.055 108.718 108.800 -0.045 0.000 3.210 6198 G HA2 0.339 4.299 3.960 0.000 0.000 0.220 6198 G HA3 0.339 4.299 3.960 0.000 0.000 0.220 6198 G C 0.586 175.461 174.900 -0.043 0.000 1.200 6198 G CA 0.473 45.545 45.100 -0.046 0.000 0.834 6198 G HN 0.577 nan 8.290 nan 0.000 0.524 6199 A N -1.210 121.562 122.820 -0.081 0.000 6.624 6199 A HA -0.041 4.279 4.320 0.000 0.000 0.226 6199 A C 0.787 178.485 177.584 0.190 0.000 2.318 6199 A CA 0.387 52.387 52.037 -0.062 0.000 0.686 6199 A CB -1.585 17.239 19.000 -0.294 0.000 0.893 6199 A HN 1.347 nan 8.150 nan 0.000 0.362 6200 F N -1.980 118.102 119.950 0.221 0.000 3.074 6200 F HA -0.089 4.438 4.527 0.000 0.000 0.289 6200 F C 1.194 176.606 175.800 -0.647 0.000 0.863 6200 F CA 1.270 59.028 58.000 -0.403 0.000 1.121 6200 F CB -0.917 37.704 39.000 -0.631 0.000 1.169 6200 F HN 2.407 nan 8.300 nan 0.000 0.570 6201 G N 0.581 109.370 108.800 -0.018 0.000 2.927 6201 G HA2 0.115 4.075 3.960 0.000 0.000 0.234 6201 G HA3 0.115 4.075 3.960 0.000 0.000 0.234 6201 G C -0.391 174.589 174.900 0.132 0.000 3.444 6201 G CA -0.166 44.983 45.100 0.083 0.000 0.715 6201 G HN 0.302 nan 8.290 nan 0.000 0.422 6202 D N 0.397 120.950 120.400 0.255 0.000 1.989 6202 D HA 0.158 4.798 4.640 0.000 0.000 0.259 6202 D C 1.430 177.808 176.300 0.130 0.000 0.992 6202 D CA 0.780 54.903 54.000 0.206 0.000 0.912 6202 D CB 0.309 41.361 40.800 0.422 0.000 1.083 6202 D HN 0.390 nan 8.370 nan 0.000 0.441 6203 I N 1.418 122.056 120.570 0.113 0.000 2.317 6203 I HA 0.147 4.317 4.170 0.000 0.000 0.286 6203 I C -0.304 175.825 176.117 0.020 0.000 1.119 6203 I CA -0.349 60.844 61.300 -0.177 0.000 1.228 6203 I CB 0.088 37.622 38.000 -0.776 0.000 1.476 6203 I HN 0.060 nan 8.210 nan 0.000 0.514 6204 Q N 3.662 123.408 119.800 -0.090 0.000 2.373 6204 Q HA 0.634 4.974 4.340 0.000 0.000 0.255 6204 Q C -0.065 175.621 176.000 -0.524 0.000 0.980 6204 Q CA -0.283 55.338 55.803 -0.303 0.000 0.882 6204 Q CB 1.783 30.185 28.738 -0.559 0.000 1.249 6204 Q HN 0.748 nan 8.270 nan 0.000 0.438 6205 A N 1.146 123.696 122.820 -0.450 0.000 2.479 6205 A HA 0.455 4.775 4.320 0.000 0.000 0.296 6205 A C 0.515 178.019 177.584 -0.134 0.000 1.121 6205 A CA -0.632 51.233 52.037 -0.287 0.000 0.743 6205 A CB 1.434 20.372 19.000 -0.103 0.000 1.323 6205 A HN 0.717 nan 8.150 nan 0.000 0.415 6206 T N 0.772 115.359 114.554 0.054 0.000 2.701 6206 T HA 0.040 4.390 4.350 0.000 0.000 0.263 6206 T C 1.112 175.880 174.700 0.113 0.000 1.040 6206 T CA 2.072 64.296 62.100 0.207 0.000 1.147 6206 T CB -0.290 68.677 68.868 0.165 0.000 0.865 6206 T HN 1.188 nan 8.240 nan 0.000 0.426 6207 S N -1.143 114.578 115.700 0.035 0.000 3.121 6207 S HA 0.504 4.974 4.470 0.000 0.000 0.324 6207 S C 0.840 175.413 174.600 -0.044 0.000 1.192 6207 S CA -0.841 57.358 58.200 -0.003 0.000 0.937 6207 S CB 0.536 63.747 63.200 0.018 0.000 1.336 6207 S HN 0.093 nan 8.310 nan 0.000 0.664 6208 L N 0.569 121.776 121.223 -0.026 0.000 2.131 6208 L HA 0.169 4.509 4.340 0.000 0.000 0.206 6208 L C 0.711 177.607 176.870 0.043 0.000 1.087 6208 L CA 1.016 55.859 54.840 0.004 0.000 0.767 6208 L CB -0.409 41.670 42.059 0.032 0.000 0.917 6208 L HN 0.681 nan 8.230 nan 0.000 0.441 6209 T N 0.212 114.785 114.554 0.033 0.000 3.427 6209 T HA 0.227 4.577 4.350 0.000 0.000 0.306 6209 T C 0.272 174.992 174.700 0.034 0.000 1.733 6209 T CA -0.329 61.794 62.100 0.038 0.000 1.599 6209 T CB 0.397 69.285 68.868 0.034 0.000 0.964 6209 T HN 0.240 nan 8.240 nan 0.000 0.701 6210 S N 0.945 116.665 115.700 0.034 0.000 2.719 6210 S HA 0.650 5.120 4.470 0.000 0.000 0.285 6210 S C 0.227 174.847 174.600 0.033 0.000 1.137 6210 S CA -0.804 57.415 58.200 0.032 0.000 1.012 6210 S CB 1.723 64.938 63.200 0.026 0.000 1.134 6210 S HN 0.362 nan 8.310 nan 0.000 0.544 6211 K N -0.366 120.052 120.400 0.031 0.000 3.017 6211 K HA 0.282 4.602 4.320 0.000 0.000 0.178 6211 K C -1.716 174.898 176.600 0.024 0.000 1.103 6211 K CA -0.058 56.247 56.287 0.030 0.000 1.084 6211 K CB 0.508 33.026 32.500 0.030 0.000 0.711 6211 K HN 0.542 nan 8.250 nan 0.000 0.416 6212 D N 1.399 121.811 120.400 0.020 0.000 2.478 6212 D HA 0.313 4.953 4.640 0.000 0.000 0.240 6212 D C -1.001 175.297 176.300 -0.003 0.000 1.364 6212 D CA -0.219 53.790 54.000 0.016 0.000 0.987 6212 D CB 1.286 42.105 40.800 0.033 0.000 1.328 6212 D HN 0.050 nan 8.370 nan 0.000 0.584 6213 L N 2.314 123.525 121.223 -0.020 0.000 2.313 6213 L HA 0.702 5.042 4.340 0.000 0.000 0.268 6213 L C -0.069 176.771 176.870 -0.051 0.000 1.010 6213 L CA -0.897 53.908 54.840 -0.058 0.000 0.814 6213 L CB 2.033 44.043 42.059 -0.082 0.000 1.304 6213 L HN 0.217 nan 8.230 nan 0.000 0.441 6214 I N 0.805 121.328 120.570 -0.079 0.000 2.722 6214 I HA 0.761 4.931 4.170 0.000 0.000 0.292 6214 I C -0.673 175.402 176.117 -0.071 0.000 1.267 6214 I CA -0.338 60.936 61.300 -0.043 0.000 1.036 6214 I CB 2.136 40.142 38.000 0.011 0.000 1.281 6214 I HN 0.762 nan 8.210 nan 0.000 0.423 6215 A N 3.526 126.314 122.820 -0.052 0.000 2.483 6215 A HA 0.876 5.196 4.320 0.000 0.000 0.294 6215 A C -1.367 176.196 177.584 -0.034 0.000 1.077 6215 A CA -0.379 51.623 52.037 -0.060 0.000 0.633 6215 A CB 1.762 20.683 19.000 -0.131 0.000 1.318 6215 A HN 0.870 nan 8.150 nan 0.000 0.455 6216 S N -0.691 114.989 115.700 -0.033 0.000 2.548 6216 S HA 0.385 4.855 4.470 0.000 0.000 0.168 6216 S C -0.481 174.103 174.600 -0.027 0.000 1.068 6216 S CA 0.269 58.456 58.200 -0.021 0.000 1.129 6216 S CB 0.027 63.226 63.200 -0.002 0.000 1.435 6216 S HN 1.019 nan 8.310 nan 0.000 0.410 6217 T N 1.095 115.626 114.554 -0.038 0.000 3.330 6217 T HA 0.243 4.593 4.350 0.000 0.000 0.249 6217 T C 0.117 174.798 174.700 -0.031 0.000 0.980 6217 T CA -0.035 62.044 62.100 -0.035 0.000 0.920 6217 T CB -0.745 68.104 68.868 -0.032 0.000 1.065 6217 T HN 0.717 nan 8.240 nan 0.000 0.588 6218 D N 1.067 121.450 120.400 -0.027 0.000 2.708 6218 D HA -0.154 4.486 4.640 0.000 0.000 0.236 6218 D C -0.299 175.985 176.300 -0.027 0.000 1.146 6218 D CA 0.316 54.301 54.000 -0.024 0.000 0.662 6218 D CB -1.571 39.213 40.800 -0.027 0.000 1.059 6218 D HN 0.551 nan 8.370 nan 0.000 0.428 6219 I N 0.555 121.104 120.570 -0.035 0.000 2.496 6219 I HA 0.190 4.360 4.170 0.000 0.000 0.285 6219 I C 1.008 177.085 176.117 -0.066 0.000 1.080 6219 I CA 0.168 61.434 61.300 -0.057 0.000 1.404 6219 I CB 0.800 38.751 38.000 -0.080 0.000 1.403 6219 I HN -0.089 nan 8.210 nan 0.000 0.539 6220 R N 6.498 126.952 120.500 -0.075 0.000 2.538 6220 R HA 0.532 4.872 4.340 0.000 0.000 0.292 6220 R C -1.307 174.950 176.300 -0.073 0.000 1.008 6220 R CA -0.891 55.178 56.100 -0.052 0.000 0.896 6220 R CB 2.107 32.406 30.300 -0.003 0.000 1.187 6220 R HN 0.512 nan 8.270 nan 0.000 0.440 6221 L N 4.658 125.852 121.223 -0.049 0.000 2.349 6221 L HA 0.422 4.762 4.340 0.000 0.000 0.275 6221 L C -0.193 176.839 176.870 0.272 0.000 1.115 6221 L CA -0.351 54.540 54.840 0.086 0.000 0.820 6221 L CB 0.438 42.633 42.059 0.227 0.000 1.135 6221 L HN 0.387 nan 8.230 nan 0.000 0.445 6222 L N 3.251 124.660 121.223 0.309 0.000 2.346 6222 L HA 0.434 4.774 4.340 0.000 0.000 0.274 6222 L C -0.061 176.580 176.870 -0.380 0.000 1.007 6222 L CA -0.944 53.898 54.840 0.003 0.000 0.818 6222 L CB 1.907 43.985 42.059 0.032 0.000 1.284 6222 L HN 0.529 nan 8.230 nan 0.000 0.424 6223 K N 3.779 123.808 120.400 -0.619 0.000 2.378 6223 K HA 0.203 4.523 4.320 0.000 0.000 0.288 6223 K C -2.101 174.225 176.600 -0.457 0.000 1.057 6223 K CA -1.322 54.434 56.287 -0.886 0.000 0.971 6223 K CB 0.126 32.266 32.500 -0.600 0.000 0.975 6223 K HN 0.341 nan 8.250 nan 0.000 0.475 6224 P HA -0.007 nan 4.420 nan 0.000 0.272 6224 P C -0.683 176.484 177.300 -0.222 0.000 1.240 6224 P CA -0.468 62.492 63.100 -0.232 0.000 0.791 6224 P CB 0.872 32.470 31.700 -0.169 0.000 0.978 6225 S N -0.642 114.975 115.700 -0.139 0.000 2.578 6225 S HA 0.592 5.062 4.470 0.000 0.000 0.283 6225 S C 0.160 174.702 174.600 -0.096 0.000 1.195 6225 S CA -0.927 57.206 58.200 -0.112 0.000 1.050 6225 S CB 1.081 64.248 63.200 -0.056 0.000 1.012 6225 S HN 0.635 nan 8.310 nan 0.000 0.511 6226 A N 2.210 124.975 122.820 -0.092 0.000 2.475 6226 A HA 0.458 4.778 4.320 0.000 0.000 0.293 6226 A C 0.715 178.364 177.584 0.108 0.000 1.252 6226 A CA -0.242 51.792 52.037 -0.003 0.000 0.920 6226 A CB -0.484 18.524 19.000 0.013 0.000 1.125 6226 A HN 0.991 nan 8.150 nan 0.000 0.528 6227 K N 1.374 121.880 120.400 0.177 0.000 3.098 6227 K HA 0.135 4.455 4.320 0.000 0.000 0.258 6227 K C -0.442 176.235 176.600 0.127 0.000 2.409 6227 K CA -0.287 56.085 56.287 0.143 0.000 1.470 6227 K CB 0.381 32.950 32.500 0.114 0.000 2.673 6227 K HN 0.637 nan 8.250 nan 0.000 0.463 6228 N N 1.230 119.996 118.700 0.111 0.000 2.225 6228 N HA 0.244 4.984 4.740 0.000 0.000 0.298 6228 N C -0.930 174.465 175.510 -0.192 0.000 1.076 6228 N CA -0.356 52.650 53.050 -0.074 0.000 0.792 6228 N CB 2.956 41.363 38.487 -0.134 0.000 1.498 6228 N HN -0.143 nan 8.380 nan 0.000 0.474 6229 V N 3.976 123.731 119.914 -0.266 0.000 2.442 6229 V HA -0.016 4.104 4.120 0.000 0.000 0.272 6229 V C 0.135 176.015 176.094 -0.355 0.000 0.989 6229 V CA 0.723 62.917 62.300 -0.176 0.000 1.123 6229 V CB -1.272 30.431 31.823 -0.199 0.000 1.008 6229 V HN 0.518 nan 8.190 nan 0.000 0.469 6230 H N 2.825 121.940 119.070 0.075 0.000 2.941 6230 H HA 0.641 5.197 4.556 0.000 0.000 0.344 6230 H C -0.724 174.568 175.328 -0.060 0.000 1.235 6230 H CA -0.882 55.159 56.048 -0.012 0.000 1.149 6230 H CB 2.472 32.214 29.762 -0.035 0.000 1.885 6230 H HN 0.260 nan 8.280 nan 0.000 0.558 6231 V N 2.784 122.695 119.914 -0.005 0.000 2.462 6231 V HA 0.168 4.288 4.120 0.000 0.000 0.257 6231 V C -2.338 173.419 176.094 -0.563 0.000 0.944 6231 V CA -1.164 60.971 62.300 -0.274 0.000 0.903 6231 V CB 0.690 32.366 31.823 -0.245 0.000 1.128 6231 V HN 0.506 nan 8.190 nan 0.000 0.486 6232 P HA 0.443 nan 4.420 nan 0.000 0.282 6232 P C -1.216 175.901 177.300 -0.306 0.000 1.274 6232 P CA 0.022 62.924 63.100 -0.330 0.000 0.770 6232 P CB 0.810 32.407 31.700 -0.171 0.000 0.867 6233 Y N -0.183 120.113 120.300 -0.006 0.000 2.576 6233 Y HA 0.360 4.910 4.550 0.000 0.000 0.346 6233 Y C 0.705 176.598 175.900 -0.011 0.000 1.018 6233 Y CA -1.095 57.005 58.100 0.000 0.000 1.050 6233 Y CB 2.408 40.877 38.460 0.015 0.000 1.280 6233 Y HN 0.117 nan 8.280 nan 0.000 0.474 6234 T N 2.600 117.259 114.554 0.175 0.000 3.029 6234 T HA 0.271 4.621 4.350 0.000 0.000 0.346 6234 T C -0.573 174.160 174.700 0.054 0.000 1.211 6234 T CA -0.631 61.515 62.100 0.077 0.000 1.009 6234 T CB 0.027 68.920 68.868 0.042 0.000 1.084 6234 T HN 0.430 nan 8.240 nan 0.000 0.536 6235 Q N 1.554 121.385 119.800 0.052 0.000 2.227 6235 Q HA 0.701 5.041 4.340 0.000 0.000 0.245 6235 Q C -0.027 175.976 176.000 0.005 0.000 0.926 6235 Q CA -0.664 55.156 55.803 0.029 0.000 0.895 6235 Q CB 1.215 29.981 28.738 0.047 0.000 1.230 6235 Q HN 0.717 nan 8.270 nan 0.000 0.450 6236 A N 1.275 124.089 122.820 -0.010 0.000 2.366 6236 A HA 0.556 4.876 4.320 0.000 0.000 0.272 6236 A C 0.198 177.762 177.584 -0.033 0.000 1.135 6236 A CA -0.135 51.882 52.037 -0.032 0.000 0.804 6236 A CB -0.203 18.770 19.000 -0.046 0.000 1.064 6236 A HN 0.863 nan 8.150 nan 0.000 0.499 6237 S N 2.339 118.007 115.700 -0.053 0.000 2.525 6237 S HA 0.421 4.891 4.470 0.000 0.000 0.285 6237 S C 0.829 175.378 174.600 -0.085 0.000 1.283 6237 S CA 0.229 58.394 58.200 -0.058 0.000 1.072 6237 S CB -0.374 62.779 63.200 -0.077 0.000 0.867 6237 S HN 1.777 nan 8.310 nan 0.000 0.492 6238 S N 2.559 118.232 115.700 -0.044 0.000 2.573 6238 S HA 0.275 4.745 4.470 0.000 0.000 0.297 6238 S C 1.349 175.832 174.600 -0.194 0.000 1.280 6238 S CA -0.212 57.954 58.200 -0.056 0.000 1.061 6238 S CB 0.635 63.868 63.200 0.055 0.000 0.812 6238 S HN 1.108 nan 8.310 nan 0.000 0.500 6239 G N 0.909 109.488 108.800 -0.368 0.000 2.650 6239 G HA2 0.045 4.005 3.960 0.000 0.000 0.214 6239 G HA3 0.045 4.005 3.960 0.000 0.000 0.214 6239 G C 0.642 175.225 174.900 -0.528 0.000 1.136 6239 G CA -0.229 44.507 45.100 -0.606 0.000 0.789 6239 G HN 0.746 nan 8.290 nan 0.000 0.536 6240 F N 0.354 120.296 119.950 -0.014 0.000 2.661 6240 F HA 0.156 4.683 4.527 0.000 0.000 0.298 6240 F C 2.502 178.327 175.800 0.043 0.000 1.137 6240 F CA 0.499 58.565 58.000 0.110 0.000 1.454 6240 F CB 0.377 39.421 39.000 0.073 0.000 1.103 6240 F HN 0.184 nan 8.300 nan 0.000 0.577 6241 E N -0.246 120.003 120.200 0.081 0.000 2.400 6241 E HA 0.011 4.361 4.350 0.000 0.000 0.195 6241 E C 1.915 178.495 176.600 -0.034 0.000 1.012 6241 E CA 0.344 56.765 56.400 0.035 0.000 0.875 6241 E CB 0.138 29.839 29.700 0.002 0.000 0.859 6241 E HN 0.472 nan 8.360 nan 0.000 0.498 6242 M N -1.353 118.149 119.600 -0.164 0.000 2.492 6242 M HA 0.054 4.534 4.480 0.000 0.000 0.255 6242 M C 1.030 177.182 176.300 -0.247 0.000 1.139 6242 M CA 0.444 55.581 55.300 -0.273 0.000 1.096 6242 M CB 0.137 32.458 32.600 -0.464 0.000 1.360 6242 M HN 0.143 nan 8.290 nan 0.000 0.480 6243 W N 1.415 122.660 121.300 -0.092 0.000 3.077 6243 W HA -0.000 4.660 4.660 0.000 0.000 0.245 6243 W C 1.396 177.878 176.519 -0.062 0.000 1.316 6243 W CA 0.110 57.376 57.345 -0.132 0.000 1.537 6243 W CB 0.188 29.599 29.460 -0.082 0.000 1.131 6243 W HN 0.101 nan 8.180 nan 0.000 0.695 6244 K N 0.006 120.525 120.400 0.198 0.000 2.458 6244 K HA 0.043 4.363 4.320 0.000 0.000 0.194 6244 K C 0.833 177.491 176.600 0.097 0.000 1.024 6244 K CA 0.317 56.687 56.287 0.138 0.000 1.108 6244 K CB 0.105 32.672 32.500 0.112 0.000 0.846 6244 K HN 0.121 nan 8.250 nan 0.000 0.518 6245 N N 0.346 119.101 118.700 0.092 0.000 2.612 6245 N HA -0.025 4.715 4.740 0.000 0.000 0.224 6245 N C 0.813 176.378 175.510 0.091 0.000 1.051 6245 N CA 0.427 53.514 53.050 0.062 0.000 0.889 6245 N CB 0.109 38.601 38.487 0.008 0.000 1.449 6245 N HN -0.009 nan 8.380 nan 0.000 0.442 6246 N N 1.253 120.043 118.700 0.150 0.000 2.362 6246 N HA 0.042 4.782 4.740 0.000 0.000 0.204 6246 N C 1.083 176.692 175.510 0.165 0.000 1.166 6246 N CA 0.029 53.195 53.050 0.193 0.000 0.831 6246 N CB 0.038 38.711 38.487 0.311 0.000 1.008 6246 N HN 0.202 nan 8.380 nan 0.000 0.472 6247 S N -1.090 114.682 115.700 0.121 0.000 2.353 6247 S HA -0.045 4.425 4.470 0.000 0.000 0.222 6247 S C 1.548 176.227 174.600 0.132 0.000 1.035 6247 S CA 1.010 59.237 58.200 0.045 0.000 1.025 6247 S CB -0.898 62.302 63.200 -0.001 0.000 0.902 6247 S HN 0.449 nan 8.310 nan 0.000 0.440 6248 G N 2.662 111.551 108.800 0.147 0.000 2.583 6248 G HA2 -0.373 3.587 3.960 0.000 0.000 0.292 6248 G HA3 -0.373 3.587 3.960 0.000 0.000 0.292 6248 G C -0.240 174.785 174.900 0.208 0.000 1.203 6248 G CA 0.133 45.329 45.100 0.160 0.000 0.987 6248 G HN 0.801 nan 8.290 nan 0.000 0.554 6249 R N 1.967 122.582 120.500 0.191 0.000 3.924 6249 R HA 0.075 4.415 4.340 0.000 0.000 0.279 6249 R C -1.236 175.206 176.300 0.237 0.000 0.562 6249 R CA 0.425 56.629 56.100 0.174 0.000 1.007 6249 R CB 0.224 30.615 30.300 0.152 0.000 0.920 6249 R HN 0.474 nan 8.270 nan 0.000 0.332 6250 P HA -0.026 nan 4.420 nan 0.000 0.245 6250 P C 0.624 177.821 177.300 -0.172 0.000 1.203 6250 P CA 0.353 63.429 63.100 -0.039 0.000 0.792 6250 P CB 0.383 32.077 31.700 -0.010 0.000 0.997 6251 L N -2.220 118.968 121.223 -0.058 0.000 4.252 6251 L HA -0.381 3.959 4.340 0.000 0.000 0.370 6251 L C 2.353 179.180 176.870 -0.071 0.000 0.743 6251 L CA 2.137 56.941 54.840 -0.061 0.000 2.767 6251 L CB -2.003 40.020 42.059 -0.060 0.000 0.809 6251 L HN 0.061 nan 8.230 nan 0.000 0.696 6252 Q N -0.123 119.619 119.800 -0.098 0.000 2.170 6252 Q HA -0.211 4.129 4.340 0.000 0.000 0.203 6252 Q C 1.699 177.668 176.000 -0.052 0.000 0.976 6252 Q CA 2.020 57.779 55.803 -0.073 0.000 0.858 6252 Q CB -0.072 28.613 28.738 -0.088 0.000 0.907 6252 Q HN 0.647 nan 8.270 nan 0.000 0.433 6253 E N -0.298 119.875 120.200 -0.045 0.000 2.250 6253 E HA -0.017 4.333 4.350 0.000 0.000 0.192 6253 E C 0.454 177.035 176.600 -0.032 0.000 0.986 6253 E CA 0.634 57.016 56.400 -0.031 0.000 0.849 6253 E CB 0.444 30.134 29.700 -0.017 0.000 0.797 6253 E HN 0.095 nan 8.360 nan 0.000 0.482 6254 T N 1.655 116.190 114.554 -0.032 0.000 3.256 6254 T HA 0.329 4.679 4.350 0.000 0.000 0.237 6254 T C -0.085 174.589 174.700 -0.044 0.000 0.908 6254 T CA -0.242 61.838 62.100 -0.033 0.000 0.966 6254 T CB 0.185 69.043 68.868 -0.017 0.000 1.134 6254 T HN 0.068 nan 8.240 nan 0.000 0.573 6255 A N 3.914 126.704 122.820 -0.049 0.000 2.444 6255 A HA 0.429 4.749 4.320 0.000 0.000 0.273 6255 A C -1.874 175.685 177.584 -0.042 0.000 1.136 6255 A CA -1.277 50.730 52.037 -0.050 0.000 0.799 6255 A CB -0.031 18.939 19.000 -0.049 0.000 1.081 6255 A HN 0.251 nan 8.150 nan 0.000 0.509 6256 P HA 0.317 nan 4.420 nan 0.000 0.276 6256 P C -0.629 176.802 177.300 0.219 0.000 1.264 6256 P CA 0.050 63.197 63.100 0.077 0.000 0.769 6256 P CB -0.136 31.666 31.700 0.171 0.000 0.840 6257 F N 2.423 122.317 119.950 -0.093 0.000 3.056 6257 F HA -0.154 4.373 4.527 0.000 0.000 0.301 6257 F C 1.489 177.219 175.800 -0.116 0.000 0.907 6257 F CA 1.129 59.066 58.000 -0.105 0.000 1.113 6257 F CB -2.495 36.428 39.000 -0.130 0.000 1.123 6257 F HN 0.668 nan 8.300 nan 0.000 0.661 6258 G N -1.015 107.782 108.800 -0.006 0.000 2.166 6258 G HA2 -0.392 3.568 3.960 0.000 0.000 0.260 6258 G HA3 -0.392 3.568 3.960 0.000 0.000 0.260 6258 G C 0.803 175.681 174.900 -0.036 0.000 0.986 6258 G CA 0.261 45.345 45.100 -0.026 0.000 0.683 6258 G HN 1.068 nan 8.290 nan 0.000 0.527 6259 c N -0.018 118.558 118.600 -0.039 0.000 2.820 6259 c HA 0.636 5.206 4.570 0.000 0.000 0.359 6259 c C 1.088 175.145 174.090 -0.055 0.000 1.357 6259 c CA 0.487 56.771 56.329 -0.075 0.000 2.197 6259 c CB 0.247 42.700 42.510 -0.095 0.000 2.569 6259 c HN 0.594 nan 8.230 nan 0.000 0.753 6260 K N 1.128 121.500 120.400 -0.047 0.000 2.263 6260 K HA 0.793 5.113 4.320 0.000 0.000 0.249 6260 K C -1.404 175.202 176.600 0.011 0.000 1.076 6260 K CA -0.616 55.658 56.287 -0.022 0.000 0.884 6260 K CB 1.482 33.972 32.500 -0.017 0.000 1.394 6260 K HN 0.630 nan 8.250 nan 0.000 0.476 6261 I N 0.534 121.125 120.570 0.035 0.000 2.722 6261 I HA 0.348 4.518 4.170 0.000 0.000 0.292 6261 I C -1.133 175.018 176.117 0.057 0.000 1.267 6261 I CA -0.867 60.494 61.300 0.102 0.000 1.036 6261 I CB 2.206 40.274 38.000 0.113 0.000 1.281 6261 I HN 0.699 nan 8.210 nan 0.000 0.423 6262 A N 4.385 127.242 122.820 0.061 0.000 2.281 6262 A HA 0.776 5.096 4.320 0.000 0.000 0.329 6262 A C 0.483 178.060 177.584 -0.013 0.000 1.122 6262 A CA -0.423 51.621 52.037 0.013 0.000 0.850 6262 A CB 1.329 20.333 19.000 0.006 0.000 1.207 6262 A HN 0.490 nan 8.150 nan 0.000 0.495 6263 V N 0.928 120.830 119.914 -0.020 0.000 2.339 6263 V HA -0.082 4.038 4.120 0.000 0.000 0.234 6263 V C 2.100 178.171 176.094 -0.039 0.000 1.053 6263 V CA 1.474 63.757 62.300 -0.028 0.000 1.042 6263 V CB -0.982 30.832 31.823 -0.015 0.000 0.678 6263 V HN 0.883 nan 8.190 nan 0.000 0.475 6264 N N 0.997 119.679 118.700 -0.031 0.000 2.084 6264 N HA -0.093 4.647 4.740 0.000 0.000 0.190 6264 N C -0.403 175.079 175.510 -0.048 0.000 1.030 6264 N CA 2.073 55.103 53.050 -0.034 0.000 0.849 6264 N CB -1.315 37.158 38.487 -0.023 0.000 1.012 6264 N HN 0.490 nan 8.380 nan 0.000 0.423 6265 P HA 0.234 nan 4.420 nan 0.000 0.261 6265 P C -0.052 177.190 177.300 -0.095 0.000 1.268 6265 P CA 0.190 63.255 63.100 -0.059 0.000 0.833 6265 P CB 0.561 32.238 31.700 -0.038 0.000 1.231 6266 L N -1.070 120.085 121.223 -0.113 0.000 3.677 6266 L HA -0.221 4.119 4.340 0.000 0.000 0.464 6266 L C 0.335 177.100 176.870 -0.174 0.000 1.278 6266 L CA 0.353 55.067 54.840 -0.209 0.000 0.806 6266 L CB -1.764 40.083 42.059 -0.354 0.000 1.610 6266 L HN 0.184 nan 8.230 nan 0.000 0.867 6267 R N 0.404 120.903 120.500 -0.002 0.000 2.668 6267 R HA 0.802 5.142 4.340 0.000 0.000 0.279 6267 R C 0.157 176.583 176.300 0.210 0.000 0.976 6267 R CA 0.065 56.227 56.100 0.102 0.000 0.978 6267 R CB 1.564 31.891 30.300 0.044 0.000 1.133 6267 R HN 0.271 nan 8.270 nan 0.000 0.484 6268 A N 2.905 125.869 122.820 0.240 0.000 2.253 6268 A HA 0.464 4.784 4.320 0.000 0.000 0.316 6268 A C -0.698 176.930 177.584 0.072 0.000 1.327 6268 A CA -0.542 51.590 52.037 0.159 0.000 0.917 6268 A CB 0.683 19.769 19.000 0.144 0.000 1.162 6268 A HN 0.402 nan 8.150 nan 0.000 0.535 6269 V N 2.242 122.173 119.914 0.029 0.000 2.732 6269 V HA 0.379 4.499 4.120 0.000 0.000 0.310 6269 V C 0.317 176.388 176.094 -0.038 0.000 1.053 6269 V CA -0.508 61.790 62.300 -0.004 0.000 0.957 6269 V CB 1.383 33.203 31.823 -0.005 0.000 1.018 6269 V HN 0.981 nan 8.190 nan 0.000 0.452 6270 D N 0.587 120.957 120.400 -0.049 0.000 2.811 6270 D HA -0.179 4.461 4.640 0.000 0.000 0.231 6270 D C -0.090 176.142 176.300 -0.112 0.000 1.157 6270 D CA 0.729 54.690 54.000 -0.066 0.000 0.716 6270 D CB -0.806 39.963 40.800 -0.051 0.000 1.077 6270 D HN 0.654 nan 8.370 nan 0.000 0.428 6271 c N 2.071 120.562 118.600 -0.180 0.000 2.223 6271 c HA 0.413 4.983 4.570 0.000 0.000 0.324 6271 c C 1.150 174.887 174.090 -0.589 0.000 1.196 6271 c CA -0.985 55.118 56.329 -0.376 0.000 1.628 6271 c CB 0.259 42.498 42.510 -0.451 0.000 2.229 6271 c HN 0.383 nan 8.230 nan 0.000 0.486 6272 S N 3.091 118.527 115.700 -0.442 0.000 2.549 6272 S HA 0.469 4.939 4.470 0.000 0.000 0.279 6272 S C -0.425 173.818 174.600 -0.594 0.000 1.321 6272 S CA 0.147 58.124 58.200 -0.371 0.000 1.054 6272 S CB 0.770 63.876 63.200 -0.157 0.000 0.899 6272 S HN 0.774 nan 8.310 nan 0.000 0.497 6273 Y N 1.915 122.129 120.300 -0.144 0.000 2.811 6273 Y HA 0.527 5.077 4.550 0.000 0.000 0.117 6273 Y C 1.748 177.570 175.900 -0.131 0.000 0.894 6273 Y CA -0.428 57.572 58.100 -0.166 0.000 1.862 6273 Y CB -0.096 38.324 38.460 -0.067 0.000 1.207 6273 Y HN 0.789 nan 8.280 nan 0.000 0.259 6274 G N -0.220 108.668 108.800 0.147 0.000 3.387 6274 G HA2 0.310 4.270 3.960 0.000 0.000 0.194 6274 G HA3 0.310 4.270 3.960 0.000 0.000 0.194 6274 G C -1.106 173.808 174.900 0.024 0.000 1.417 6274 G CA -0.521 44.615 45.100 0.060 0.000 0.777 6274 G HN 0.213 nan 8.290 nan 0.000 0.721 6275 N N -0.195 118.509 118.700 0.007 0.000 2.225 6275 N HA 0.456 5.196 4.740 0.000 0.000 0.298 6275 N C -1.461 174.031 175.510 -0.031 0.000 1.076 6275 N CA -0.340 52.693 53.050 -0.030 0.000 0.792 6275 N CB 2.857 41.322 38.487 -0.036 0.000 1.498 6275 N HN 0.160 nan 8.380 nan 0.000 0.474 6276 I N 2.975 123.509 120.570 -0.060 0.000 2.371 6276 I HA 0.220 4.390 4.170 0.000 0.000 0.282 6276 I C -2.098 173.988 176.117 -0.052 0.000 1.031 6276 I CA -1.884 59.389 61.300 -0.045 0.000 1.180 6276 I CB 1.750 39.725 38.000 -0.041 0.000 1.336 6276 I HN 0.113 nan 8.210 nan 0.000 0.467 6277 P HA 0.208 nan 4.420 nan 0.000 0.273 6277 P C -0.399 176.897 177.300 -0.006 0.000 1.319 6277 P CA 0.204 63.292 63.100 -0.021 0.000 0.885 6277 P CB 0.321 32.013 31.700 -0.012 0.000 1.015 6278 I N 3.097 123.665 120.570 -0.004 0.000 2.353 6278 I HA 0.210 4.380 4.170 0.000 0.000 0.293 6278 I C 0.657 176.798 176.117 0.039 0.000 0.992 6278 I CA -0.199 61.113 61.300 0.020 0.000 1.268 6278 I CB 1.279 39.294 38.000 0.026 0.000 1.387 6278 I HN 0.319 nan 8.210 nan 0.000 0.478 6279 S N 7.063 122.790 115.700 0.045 0.000 2.594 6279 S HA 0.769 5.239 4.470 0.000 0.000 0.296 6279 S C -0.800 173.833 174.600 0.055 0.000 1.124 6279 S CA -0.766 57.467 58.200 0.053 0.000 1.011 6279 S CB 1.594 64.814 63.200 0.034 0.000 1.016 6279 S HN 0.450 nan 8.310 nan 0.000 0.485 6280 I N 1.759 122.371 120.570 0.070 0.000 2.533 6280 I HA 0.315 4.485 4.170 0.000 0.000 0.290 6280 I C -1.047 175.092 176.117 0.036 0.000 1.056 6280 I CA -0.750 60.577 61.300 0.045 0.000 1.057 6280 I CB 2.132 40.150 38.000 0.029 0.000 1.240 6280 I HN 0.571 nan 8.210 nan 0.000 0.423 6281 D N 7.561 127.965 120.400 0.007 0.000 2.551 6281 D HA 0.268 4.908 4.640 0.000 0.000 0.223 6281 D C 0.220 176.518 176.300 -0.003 0.000 1.144 6281 D CA 0.163 54.160 54.000 -0.005 0.000 1.025 6281 D CB 0.363 41.156 40.800 -0.013 0.000 1.085 6281 D HN 0.326 nan 8.370 nan 0.000 0.506 6282 I N 3.955 124.541 120.570 0.025 0.000 2.436 6282 I HA 0.067 4.237 4.170 0.000 0.000 0.289 6282 I C -1.549 174.628 176.117 0.101 0.000 1.083 6282 I CA -1.392 59.893 61.300 -0.026 0.000 1.372 6282 I CB 0.438 38.331 38.000 -0.179 0.000 1.408 6282 I HN -0.046 nan 8.210 nan 0.000 0.516 6283 P HA 0.093 nan 4.420 nan 0.000 0.277 6283 P C -0.086 177.297 177.300 0.139 0.000 1.276 6283 P CA -0.335 62.800 63.100 0.057 0.000 0.788 6283 P CB 0.735 32.440 31.700 0.008 0.000 1.114 6284 N N -0.027 118.709 118.700 0.060 0.000 2.244 6284 N HA -0.120 4.620 4.740 0.000 0.000 0.183 6284 N C 1.752 177.309 175.510 0.078 0.000 1.016 6284 N CA 1.412 54.470 53.050 0.014 0.000 0.866 6284 N CB -0.765 37.703 38.487 -0.032 0.000 0.980 6284 N HN 0.462 nan 8.380 nan 0.000 0.430 6285 A N 1.049 123.902 122.820 0.055 0.000 2.015 6285 A HA 0.115 4.435 4.320 0.000 0.000 0.219 6285 A C 2.325 179.924 177.584 0.025 0.000 1.163 6285 A CA 1.499 53.564 52.037 0.047 0.000 0.646 6285 A CB -0.378 18.636 19.000 0.024 0.000 0.806 6285 A HN 0.322 nan 8.150 nan 0.000 0.448 6286 A N -1.274 121.526 122.820 -0.033 0.000 2.016 6286 A HA 0.247 4.567 4.320 0.000 0.000 0.217 6286 A C 0.789 178.254 177.584 -0.199 0.000 1.162 6286 A CA 0.150 52.092 52.037 -0.158 0.000 0.662 6286 A CB -0.459 18.354 19.000 -0.313 0.000 0.812 6286 A HN 0.392 nan 8.150 nan 0.000 0.450 6287 F N 2.100 122.013 119.950 -0.062 0.000 2.666 6287 F HA 0.243 4.770 4.527 0.000 0.000 0.362 6287 F C 0.713 176.571 175.800 0.095 0.000 1.190 6287 F CA -0.638 57.348 58.000 -0.023 0.000 1.328 6287 F CB -0.635 38.256 39.000 -0.183 0.000 1.682 6287 F HN 0.220 nan 8.300 nan 0.000 0.623 6288 I N -0.885 119.790 120.570 0.175 0.000 2.836 6288 I HA 0.239 4.409 4.170 0.000 0.000 0.285 6288 I C 0.787 177.015 176.117 0.185 0.000 1.174 6288 I CA -0.765 60.632 61.300 0.161 0.000 1.405 6288 I CB 0.363 38.420 38.000 0.096 0.000 1.385 6288 I HN 0.439 nan 8.210 nan 0.000 0.594 6289 R N 2.120 122.709 120.500 0.149 0.000 2.979 6289 R HA -0.098 4.242 4.340 0.000 0.000 0.272 6289 R C -0.464 175.907 176.300 0.117 0.000 0.981 6289 R CA 0.438 56.607 56.100 0.116 0.000 0.653 6289 R CB -1.519 28.845 30.300 0.106 0.000 1.397 6289 R HN 0.987 nan 8.270 nan 0.000 0.416 6290 T N -0.430 114.173 114.554 0.080 0.000 2.701 6290 T HA 0.039 4.389 4.350 0.000 0.000 0.303 6290 T C 1.607 176.268 174.700 -0.065 0.000 1.030 6290 T CA 0.047 62.124 62.100 -0.039 0.000 1.010 6290 T CB 0.938 69.740 68.868 -0.110 0.000 1.007 6290 T HN 0.529 nan 8.240 nan 0.000 0.532 6291 S N -0.345 115.273 115.700 -0.138 0.000 2.555 6291 S HA -0.074 4.396 4.470 0.000 0.000 0.230 6291 S C 1.133 175.691 174.600 -0.069 0.000 0.978 6291 S CA 0.575 58.720 58.200 -0.092 0.000 0.934 6291 S CB -0.157 62.976 63.200 -0.111 0.000 0.766 6291 S HN 0.600 nan 8.310 nan 0.000 0.533 6292 D N 1.029 121.386 120.400 -0.072 0.000 2.333 6292 D HA 0.336 4.976 4.640 0.000 0.000 0.208 6292 D C 1.730 178.013 176.300 -0.028 0.000 0.984 6292 D CA 0.840 54.811 54.000 -0.048 0.000 0.873 6292 D CB 0.401 41.171 40.800 -0.050 0.000 0.935 6292 D HN 0.548 nan 8.370 nan 0.000 0.521 6293 A N 1.198 124.007 122.820 -0.020 0.000 1.997 6293 A HA 0.207 4.527 4.320 0.000 0.000 0.214 6293 A C -1.596 175.983 177.584 -0.008 0.000 1.458 6293 A CA -0.018 52.014 52.037 -0.008 0.000 0.692 6293 A CB -1.096 17.906 19.000 0.004 0.000 1.145 6293 A HN 0.087 nan 8.150 nan 0.000 0.515 6294 P HA 0.420 nan 4.420 nan 0.000 0.276 6294 P C -1.222 176.067 177.300 -0.018 0.000 1.230 6294 P CA 0.479 63.574 63.100 -0.007 0.000 0.776 6294 P CB 1.075 32.776 31.700 0.003 0.000 0.888 6295 L N 2.899 124.108 121.223 -0.023 0.000 2.574 6295 L HA 0.196 4.536 4.340 0.000 0.000 0.258 6295 L C -0.044 176.805 176.870 -0.034 0.000 1.520 6295 L CA -0.708 54.117 54.840 -0.026 0.000 0.775 6295 L CB 1.332 43.380 42.059 -0.018 0.000 1.028 6295 L HN 0.078 nan 8.230 nan 0.000 0.516 6296 V N 0.378 120.253 119.914 -0.064 0.000 2.740 6296 V HA 0.112 4.232 4.120 0.000 0.000 0.303 6296 V C 1.132 177.192 176.094 -0.056 0.000 1.054 6296 V CA 0.331 62.573 62.300 -0.097 0.000 1.106 6296 V CB 1.256 32.929 31.823 -0.250 0.000 0.957 6296 V HN 0.779 nan 8.190 nan 0.000 0.486 6297 S N 3.261 118.953 115.700 -0.013 0.000 2.389 6297 S HA 0.233 4.703 4.470 0.000 0.000 0.230 6297 S C 0.455 175.081 174.600 0.044 0.000 1.197 6297 S CA -0.383 57.827 58.200 0.018 0.000 1.092 6297 S CB -0.049 63.172 63.200 0.035 0.000 1.050 6297 S HN 0.663 nan 8.310 nan 0.000 0.466 6298 T N 1.857 116.451 114.554 0.067 0.000 2.867 6298 T HA 0.354 4.704 4.350 0.000 0.000 0.297 6298 T C -0.253 174.540 174.700 0.155 0.000 0.989 6298 T CA -0.218 61.932 62.100 0.084 0.000 1.159 6298 T CB 0.116 69.022 68.868 0.063 0.000 0.928 6298 T HN 0.416 nan 8.240 nan 0.000 0.538 6299 V N 5.387 125.402 119.914 0.168 0.000 2.465 6299 V HA 0.366 4.486 4.120 0.000 0.000 0.279 6299 V C 0.364 176.545 176.094 0.146 0.000 1.045 6299 V CA -0.428 62.034 62.300 0.271 0.000 0.938 6299 V CB 1.118 33.109 31.823 0.282 0.000 0.986 6299 V HN 0.752 nan 8.190 nan 0.000 0.467 6300 K N 3.098 123.552 120.400 0.089 0.000 2.328 6300 K HA 0.838 5.158 4.320 0.000 0.000 0.246 6300 K C -1.546 175.045 176.600 -0.014 0.000 0.955 6300 K CA -0.521 55.778 56.287 0.020 0.000 0.817 6300 K CB 2.140 34.635 32.500 -0.009 0.000 1.208 6300 K HN 0.661 nan 8.250 nan 0.000 0.432 6301 C N 1.250 120.549 119.300 -0.003 0.000 2.871 6301 C HA 0.397 4.857 4.460 0.000 0.000 0.378 6301 C C -1.084 173.903 174.990 -0.005 0.000 1.052 6301 C CA -0.919 58.096 59.018 -0.005 0.000 1.250 6301 C CB 1.342 29.103 27.740 0.034 0.000 1.689 6301 C HN 0.842 nan 8.230 nan 0.000 0.506 6302 E N 1.196 121.386 120.200 -0.017 0.000 2.356 6302 E HA 0.633 4.983 4.350 0.000 0.000 0.275 6302 E C -1.350 175.242 176.600 -0.012 0.000 0.904 6302 E CA -0.580 55.811 56.400 -0.014 0.000 0.757 6302 E CB 2.561 32.248 29.700 -0.023 0.000 1.232 6302 E HN 0.434 nan 8.360 nan 0.000 0.442 6303 V N 1.500 121.411 119.914 -0.005 0.000 2.732 6303 V HA 0.414 4.534 4.120 0.000 0.000 0.310 6303 V C 0.533 176.621 176.094 -0.009 0.000 1.053 6303 V CA -0.080 62.219 62.300 -0.001 0.000 0.957 6303 V CB 1.464 33.293 31.823 0.010 0.000 1.018 6303 V HN 0.956 nan 8.190 nan 0.000 0.452 6304 S N 1.682 117.377 115.700 -0.009 0.000 4.585 6304 S HA 0.281 4.751 4.470 0.000 0.000 0.155 6304 S C 0.173 174.769 174.600 -0.007 0.000 0.954 6304 S CA -0.544 57.650 58.200 -0.010 0.000 1.213 6304 S CB 0.064 63.256 63.200 -0.013 0.000 1.901 6304 S HN 0.592 nan 8.310 nan 0.000 0.805 6305 E N 1.092 121.290 120.200 -0.003 0.000 2.220 6305 E HA 0.461 4.811 4.350 0.000 0.000 0.272 6305 E C -1.297 175.303 176.600 -0.000 0.000 1.099 6305 E CA -0.170 56.230 56.400 0.001 0.000 0.907 6305 E CB 0.380 30.084 29.700 0.007 0.000 1.022 6305 E HN 0.366 nan 8.360 nan 0.000 0.428 6306 C N 2.836 122.131 119.300 -0.009 0.000 2.642 6306 C HA 0.412 4.872 4.460 0.000 0.000 0.344 6306 C C 0.017 174.986 174.990 -0.034 0.000 1.110 6306 C CA -0.708 58.298 59.018 -0.019 0.000 1.298 6306 C CB 1.674 29.398 27.740 -0.027 0.000 1.827 6306 C HN 0.635 nan 8.230 nan 0.000 0.467 6307 T N 1.086 115.629 114.554 -0.019 0.000 2.916 6307 T HA 0.513 4.863 4.350 0.000 0.000 0.292 6307 T C -0.750 173.955 174.700 0.009 0.000 1.064 6307 T CA -0.431 61.671 62.100 0.005 0.000 1.011 6307 T CB 0.712 69.619 68.868 0.065 0.000 1.152 6307 T HN 0.456 nan 8.240 nan 0.000 0.510 6308 Y N 2.316 122.621 120.300 0.009 0.000 2.903 6308 Y HA 0.044 4.594 4.550 0.000 0.000 0.338 6308 Y C 1.865 177.767 175.900 0.004 0.000 1.265 6308 Y CA 0.324 58.429 58.100 0.008 0.000 1.532 6308 Y CB 0.137 38.601 38.460 0.006 0.000 1.293 6308 Y HN 0.741 nan 8.280 nan 0.000 0.609 6316 A N 2.726 125.536 122.820 -0.016 0.000 2.411 6316 A HA 0.409 4.729 4.320 0.000 0.000 0.251 6316 A C 0.448 177.998 177.584 -0.056 0.000 1.317 6316 A CA 0.590 52.622 52.037 -0.008 0.000 0.904 6316 A CB -0.655 18.370 19.000 0.042 0.000 0.993 6316 A HN 1.002 nan 8.150 nan 0.000 0.504 6317 T N 0.161 114.640 114.554 -0.125 0.000 3.177 6317 T HA -0.155 4.195 4.350 0.000 0.000 0.439 6317 T C 0.134 174.718 174.700 -0.193 0.000 0.771 6317 T CA 1.044 63.044 62.100 -0.167 0.000 2.254 6317 T CB -1.649 67.150 68.868 -0.114 0.000 1.667 6317 T HN 0.459 nan 8.240 nan 0.000 0.619 6318 L N 1.529 122.587 121.223 -0.276 0.000 3.029 6318 L HA 0.216 4.556 4.340 0.000 0.000 0.231 6318 L C 1.128 177.528 176.870 -0.784 0.000 1.327 6318 L CA -0.374 54.176 54.840 -0.483 0.000 1.166 6318 L CB 0.082 41.933 42.059 -0.347 0.000 1.532 6318 L HN 0.456 nan 8.230 nan 0.000 0.473 6319 Q N 0.734 120.258 119.800 -0.461 0.000 2.255 6319 Q HA 0.169 4.509 4.340 0.000 0.000 0.280 6319 Q C -0.986 174.837 176.000 -0.295 0.000 1.068 6319 Q CA 0.758 56.376 55.803 -0.308 0.000 0.911 6319 Q CB 0.468 29.121 28.738 -0.142 0.000 1.157 6319 Q HN 0.365 nan 8.270 nan 0.000 0.380 6320 Y N 0.257 120.568 120.300 0.019 0.000 2.675 6320 Y HA 0.664 5.214 4.550 0.000 0.000 0.328 6320 Y C -0.085 175.828 175.900 0.022 0.000 1.092 6320 Y CA -1.414 56.701 58.100 0.025 0.000 1.190 6320 Y CB 1.718 40.199 38.460 0.035 0.000 1.350 6320 Y HN 0.181 nan 8.280 nan 0.000 0.525 6321 V N 1.651 121.696 119.914 0.218 0.000 2.509 6321 V HA 0.407 4.527 4.120 0.000 0.000 0.289 6321 V C -0.961 175.178 176.094 0.075 0.000 1.026 6321 V CA -0.646 61.721 62.300 0.113 0.000 0.872 6321 V CB 1.009 32.879 31.823 0.079 0.000 1.017 6321 V HN 0.816 nan 8.190 nan 0.000 0.436 6322 S N 2.061 117.797 115.700 0.059 0.000 2.720 6322 S HA 0.658 5.128 4.470 0.000 0.000 0.287 6322 S C -1.470 173.141 174.600 0.018 0.000 1.168 6322 S CA -1.047 57.169 58.200 0.028 0.000 0.832 6322 S CB 2.562 65.771 63.200 0.016 0.000 1.166 6322 S HN 0.490 nan 8.310 nan 0.000 0.493 6323 D N 1.350 121.753 120.400 0.005 0.000 2.317 6323 D HA 0.405 5.045 4.640 0.000 0.000 0.234 6323 D C -0.491 175.803 176.300 -0.010 0.000 1.112 6323 D CA 0.076 54.075 54.000 -0.001 0.000 0.840 6323 D CB 0.728 41.526 40.800 -0.003 0.000 1.078 6323 D HN 0.467 nan 8.370 nan 0.000 0.486 6324 R N 1.842 122.332 120.500 -0.016 0.000 1.430 6324 R HA -0.158 4.182 4.340 0.000 0.000 0.404 6324 R C -0.401 175.863 176.300 -0.061 0.000 1.314 6324 R CA 0.441 56.520 56.100 -0.035 0.000 1.171 6324 R CB -0.414 29.866 30.300 -0.033 0.000 3.410 6324 R HN 0.564 nan 8.270 nan 0.000 0.488 6325 E N 0.652 120.792 120.200 -0.101 0.000 2.398 6325 E HA 0.377 4.727 4.350 0.000 0.000 0.263 6325 E C 0.637 177.040 176.600 -0.329 0.000 1.046 6325 E CA 0.730 57.004 56.400 -0.209 0.000 0.908 6325 E CB 0.921 30.463 29.700 -0.263 0.000 0.963 6325 E HN 0.671 nan 8.360 nan 0.000 0.431 6326 G N 1.772 110.304 108.800 -0.445 0.000 1.875 6326 G HA2 0.122 4.082 3.960 0.000 0.000 0.218 6326 G HA3 0.122 4.082 3.960 0.000 0.000 0.218 6326 G C -0.429 174.497 174.900 0.043 0.000 1.648 6326 G CA -0.336 44.598 45.100 -0.278 0.000 0.941 6326 G HN 0.592 nan 8.290 nan 0.000 0.689 6327 Q N -0.636 119.347 119.800 0.306 0.000 1.659 6327 Q HA -0.343 3.997 4.340 0.000 0.000 0.347 6327 Q C 1.039 177.197 176.000 0.264 0.000 0.831 6327 Q CA 2.425 58.393 55.803 0.276 0.000 0.873 6327 Q CB -1.171 27.658 28.738 0.151 0.000 3.305 6327 Q HN 2.538 nan 8.270 nan 0.000 0.659 6328 C N 0.829 120.230 119.300 0.168 0.000 3.055 6328 C HA -0.036 4.424 4.460 0.000 0.000 0.306 6328 C C -2.574 172.505 174.990 0.148 0.000 0.855 6328 C CA -0.297 58.806 59.018 0.142 0.000 2.714 6328 C CB -0.767 27.065 27.740 0.154 0.000 1.521 6328 C HN 0.552 nan 8.230 nan 0.000 0.454 6329 P HA 0.499 nan 4.420 nan 0.000 0.282 6329 P C -0.598 176.789 177.300 0.145 0.000 1.262 6329 P CA 0.216 63.400 63.100 0.140 0.000 0.773 6329 P CB 1.366 33.155 31.700 0.149 0.000 0.879 6330 V N 5.025 125.006 119.914 0.112 0.000 2.638 6330 V HA 0.438 4.558 4.120 0.000 0.000 0.306 6330 V C -0.241 175.770 176.094 -0.138 0.000 1.052 6330 V CA -0.376 61.983 62.300 0.099 0.000 0.885 6330 V CB 1.763 33.752 31.823 0.277 0.000 0.999 6330 V HN 0.688 nan 8.190 nan 0.000 0.424 6331 H N 1.133 120.185 119.070 -0.031 0.000 3.012 6331 H HA 0.475 5.031 4.556 0.000 0.000 0.367 6331 H C -0.214 174.956 175.328 -0.264 0.000 1.211 6331 H CA -0.356 55.589 56.048 -0.171 0.000 1.139 6331 H CB 2.519 32.165 29.762 -0.193 0.000 1.838 6331 H HN 0.742 nan 8.280 nan 0.000 0.550 6332 S N 0.922 116.583 115.700 -0.064 0.000 2.584 6332 S HA 0.129 4.599 4.470 0.000 0.000 0.270 6332 S C 0.442 174.830 174.600 -0.354 0.000 1.346 6332 S CA -0.086 58.035 58.200 -0.131 0.000 1.018 6332 S CB 1.002 64.134 63.200 -0.113 0.000 0.899 6332 S HN 0.726 nan 8.310 nan 0.000 0.542 6333 H N -0.683 118.411 119.070 0.039 0.000 3.535 6333 H HA 0.387 4.943 4.556 0.000 0.000 0.260 6333 H C 0.361 175.717 175.328 0.047 0.000 1.173 6333 H CA -0.131 55.943 56.048 0.044 0.000 1.168 6333 H CB 0.667 30.465 29.762 0.060 0.000 1.568 6333 H HN 0.526 nan 8.280 nan 0.000 0.602 6334 S N 0.279 116.053 115.700 0.123 0.000 2.647 6334 S HA 0.144 4.614 4.470 0.000 0.000 0.284 6334 S C 1.467 176.095 174.600 0.047 0.000 1.134 6334 S CA 0.058 58.333 58.200 0.125 0.000 1.027 6334 S CB 1.244 64.595 63.200 0.252 0.000 1.180 6334 S HN 0.408 nan 8.310 nan 0.000 0.521 6335 S N -0.547 115.196 115.700 0.071 0.000 2.548 6335 S HA 0.247 4.717 4.470 0.000 0.000 0.215 6335 S C 0.383 174.977 174.600 -0.010 0.000 0.976 6335 S CA -0.168 58.053 58.200 0.035 0.000 0.908 6335 S CB 0.042 63.277 63.200 0.059 0.000 0.781 6335 S HN 0.501 nan 8.310 nan 0.000 0.519 6336 T N 1.613 116.121 114.554 -0.077 0.000 2.883 6336 T HA 0.730 5.080 4.350 0.000 0.000 0.296 6336 T C -0.842 173.488 174.700 -0.617 0.000 1.117 6336 T CA -0.016 61.963 62.100 -0.202 0.000 1.006 6336 T CB 1.590 70.464 68.868 0.009 0.000 1.191 6336 T HN 1.181 nan 8.240 nan 0.000 0.508 6337 A N 1.600 124.134 122.820 -0.476 0.000 1.856 6337 A HA 0.054 4.374 4.320 0.000 0.000 0.234 6337 A C 0.133 177.511 177.584 -0.343 0.000 1.328 6337 A CA -0.062 51.675 52.037 -0.500 0.000 0.673 6337 A CB -2.106 16.317 19.000 -0.963 0.000 1.190 6337 A HN 0.781 nan 8.150 nan 0.000 0.248 6338 T N 3.950 118.378 114.554 -0.211 0.000 2.829 6338 T HA 0.633 4.983 4.350 0.000 0.000 0.282 6338 T C 0.922 175.527 174.700 -0.157 0.000 0.990 6338 T CA -0.531 61.474 62.100 -0.160 0.000 1.028 6338 T CB 1.235 70.035 68.868 -0.114 0.000 0.951 6338 T HN 0.617 nan 8.240 nan 0.000 0.460 6339 L N 1.968 123.078 121.223 -0.187 0.000 2.475 6339 L HA 0.224 4.564 4.340 0.000 0.000 0.250 6339 L C 1.829 178.588 176.870 -0.185 0.000 1.224 6339 L CA -0.351 54.343 54.840 -0.243 0.000 0.821 6339 L CB 0.267 42.054 42.059 -0.453 0.000 1.141 6339 L HN 0.730 nan 8.230 nan 0.000 0.494 6340 Q N -0.507 119.193 119.800 -0.166 0.000 2.387 6340 Q HA 0.158 4.498 4.340 0.000 0.000 0.212 6340 Q C -0.134 175.821 176.000 -0.075 0.000 0.925 6340 Q CA 0.472 56.223 55.803 -0.087 0.000 0.901 6340 Q CB 0.785 29.507 28.738 -0.026 0.000 1.020 6340 Q HN 0.609 nan 8.270 nan 0.000 0.545 6341 E N -0.254 119.904 120.200 -0.071 0.000 2.281 6341 E HA 0.240 4.590 4.350 0.000 0.000 0.257 6341 E C 0.187 176.716 176.600 -0.118 0.000 0.971 6341 E CA -0.004 56.414 56.400 0.030 0.000 0.839 6341 E CB 1.878 31.734 29.700 0.260 0.000 1.238 6341 E HN 0.046 nan 8.360 nan 0.000 0.412 6342 S N -0.698 115.030 115.700 0.047 0.000 3.414 6342 S HA 0.070 4.540 4.470 0.000 0.000 0.193 6342 S C 0.686 175.428 174.600 0.236 0.000 0.825 6342 S CA -0.255 57.924 58.200 -0.034 0.000 0.837 6342 S CB -0.137 63.018 63.200 -0.075 0.000 0.940 6342 S HN 0.323 nan 8.310 nan 0.000 0.639 6343 T N 2.853 117.489 114.554 0.137 0.000 2.776 6343 T HA 0.617 4.967 4.350 0.000 0.000 0.292 6343 T C -1.026 173.657 174.700 -0.029 0.000 0.921 6343 T CA -0.082 62.074 62.100 0.093 0.000 1.038 6343 T CB 0.163 69.063 68.868 0.054 0.000 0.910 6343 T HN 0.288 nan 8.240 nan 0.000 0.536 6344 V N 5.671 125.542 119.914 -0.071 0.000 2.524 6344 V HA 0.257 4.377 4.120 0.000 0.000 0.297 6344 V C 0.125 176.089 176.094 -0.216 0.000 1.035 6344 V CA -1.206 60.906 62.300 -0.313 0.000 0.867 6344 V CB 1.184 32.692 31.823 -0.526 0.000 1.004 6344 V HN 0.816 nan 8.190 nan 0.000 0.426 6353 T N 3.551 118.149 114.554 0.073 0.000 3.182 6353 T HA 0.404 4.754 4.350 0.000 0.000 0.274 6353 T C -0.116 174.653 174.700 0.115 0.000 0.997 6353 T CA 0.289 62.429 62.100 0.068 0.000 1.082 6353 T CB 0.093 69.028 68.868 0.112 0.000 1.005 6353 T HN 0.235 nan 8.240 nan 0.000 0.688 6354 V N 4.273 124.177 119.914 -0.016 0.000 2.715 6354 V HA 0.118 4.238 4.120 0.000 0.000 0.299 6354 V C 0.569 176.566 176.094 -0.163 0.000 1.054 6354 V CA -0.225 62.008 62.300 -0.112 0.000 1.077 6354 V CB 0.243 31.962 31.823 -0.174 0.000 0.972 6354 V HN 0.752 nan 8.190 nan 0.000 0.484 6355 H N 4.547 123.384 119.070 -0.389 0.000 2.970 6355 H HA 0.445 5.001 4.556 0.000 0.000 0.315 6355 H C -0.655 174.469 175.328 -0.340 0.000 0.992 6355 H CA -0.151 55.734 56.048 -0.272 0.000 1.363 6355 H CB 1.351 31.016 29.762 -0.162 0.000 1.532 6355 H HN 0.552 nan 8.280 nan 0.000 0.514 6356 F N 0.801 120.758 119.950 0.012 0.000 3.064 6356 F HA 0.495 5.022 4.527 0.000 0.000 0.322 6356 F C 0.150 175.943 175.800 -0.012 0.000 1.463 6356 F CA -0.713 57.285 58.000 -0.005 0.000 1.044 6356 F CB 1.832 40.816 39.000 -0.026 0.000 1.743 6356 F HN 0.463 nan 8.300 nan 0.000 0.423 6357 S N -0.663 115.179 115.700 0.236 0.000 2.680 6357 S HA 0.526 4.996 4.470 0.000 0.000 0.284 6357 S C -1.328 173.287 174.600 0.024 0.000 1.055 6357 S CA -1.008 57.249 58.200 0.094 0.000 0.849 6357 S CB 1.418 64.665 63.200 0.077 0.000 1.068 6357 S HN 0.535 nan 8.310 nan 0.000 0.453 6358 T N 0.402 114.959 114.554 0.005 0.000 2.716 6358 T HA 0.931 5.281 4.350 0.000 0.000 0.286 6358 T C -0.739 173.948 174.700 -0.022 0.000 1.052 6358 T CA -0.477 61.605 62.100 -0.031 0.000 1.024 6358 T CB 1.673 70.521 68.868 -0.034 0.000 1.349 6358 T HN 1.878 nan 8.240 nan 0.000 0.525 6359 A N 1.627 124.425 122.820 -0.037 0.000 3.158 6359 A HA 0.650 4.970 4.320 0.000 0.000 0.302 6359 A C -0.024 177.545 177.584 -0.024 0.000 1.162 6359 A CA -0.643 51.381 52.037 -0.023 0.000 0.824 6359 A CB 0.044 19.032 19.000 -0.021 0.000 1.322 6359 A HN 0.857 nan 8.150 nan 0.000 0.510 6360 S N 1.025 116.728 115.700 0.004 0.000 2.726 6360 S HA 0.841 5.311 4.470 0.000 0.000 0.308 6360 S C -1.304 173.331 174.600 0.058 0.000 1.115 6360 S CA -0.809 57.425 58.200 0.056 0.000 0.965 6360 S CB 1.074 64.383 63.200 0.183 0.000 1.145 6360 S HN 0.323 nan 8.310 nan 0.000 0.532 6361 P HA 0.153 nan 4.420 nan 0.000 0.200 6361 P C 0.333 177.625 177.300 -0.013 0.000 1.198 6361 P CA 1.016 64.129 63.100 0.021 0.000 0.892 6361 P CB 0.105 31.840 31.700 0.059 0.000 0.724 6362 Q N -2.131 117.672 119.800 0.005 0.000 1.977 6362 Q HA 0.352 4.692 4.340 0.000 0.000 0.214 6362 Q C 0.395 176.343 176.000 -0.087 0.000 0.740 6362 Q CA -0.243 55.536 55.803 -0.040 0.000 0.893 6362 Q CB 0.912 29.619 28.738 -0.052 0.000 1.203 6362 Q HN 0.201 nan 8.270 nan 0.000 0.436 6363 A N 1.637 124.369 122.820 -0.146 0.000 2.386 6363 A HA 0.291 4.611 4.320 0.000 0.000 0.248 6363 A C -0.094 177.123 177.584 -0.612 0.000 1.082 6363 A CA -0.204 51.609 52.037 -0.373 0.000 0.789 6363 A CB 0.251 18.969 19.000 -0.469 0.000 1.025 6363 A HN 0.152 nan 8.150 nan 0.000 0.490 6364 N N 0.505 118.889 118.700 -0.527 0.000 2.472 6364 N HA 0.513 5.253 4.740 0.000 0.000 0.277 6364 N C -1.019 174.139 175.510 -0.586 0.000 1.081 6364 N CA 0.438 53.251 53.050 -0.396 0.000 0.973 6364 N CB 0.755 39.130 38.487 -0.186 0.000 1.105 6364 N HN 0.517 nan 8.380 nan 0.000 0.470 6365 F N 0.580 120.539 119.950 0.015 0.000 2.671 6365 F HA 0.582 5.109 4.527 0.000 0.000 0.373 6365 F C 1.056 176.881 175.800 0.041 0.000 1.122 6365 F CA -0.930 57.087 58.000 0.028 0.000 1.082 6365 F CB 0.939 39.955 39.000 0.026 0.000 1.399 6365 F HN 0.119 nan 8.300 nan 0.000 0.509 6366 I N 0.164 120.910 120.570 0.293 0.000 0.000 6366 I HA 0.866 5.036 4.170 0.000 0.000 0.000 6366 I C -0.021 176.219 176.117 0.205 0.000 0.000 6366 I CA -0.833 60.586 61.300 0.197 0.000 0.000 6366 I CB 1.499 39.601 38.000 0.170 0.000 0.000 6366 I HN 0.509 nan 8.210 nan 0.000 0.000 6367 V N -0.385 nan 119.914 nan 0.000 0.000 6367 V HA 0.782 4.902 4.120 0.000 0.000 0.000 6367 V C -0.716 nan 176.094 nan 0.000 0.000 6367 V CA 0.025 62.449 62.300 0.207 0.000 0.000 6367 V CB 1.157 nan 31.823 nan 0.000 0.000 6367 V HN 1.065 nan 8.190 nan 0.000 0.000 6368 S N -1.631 nan 115.700 nan 0.000 0.000 6368 S HA 1.263 5.733 4.470 0.000 0.000 0.000 6368 S C -0.416 nan 174.600 nan 0.000 0.000 6368 S CA 0.303 58.660 58.200 0.261 0.000 0.000 6368 S CB 0.126 nan 63.200 nan 0.000 0.000 6368 S HN 2.944 nan 8.310 nan 0.000 0.000 6369 L N -2.502 nan 121.223 nan 0.000 0.000 6369 L HA 1.027 5.367 4.340 0.000 0.000 0.000 6369 L C 0.155 nan 176.870 nan 0.000 0.000 6369 L CA -0.118 54.954 54.840 0.387 0.000 0.000 6369 L CB -0.178 nan 42.059 nan 0.000 0.000 6369 L HN 3.091 nan 8.230 nan 0.000 0.000 6370 C N -1.754 nan 119.300 nan 0.000 0.000 6370 C HA 1.147 5.607 4.460 0.000 0.000 0.000 6370 C C 0.515 nan 174.990 nan 0.000 0.000 6370 C CA -0.069 58.954 59.018 0.008 0.000 0.000 6370 C CB 0.952 nan 27.740 nan 0.000 0.000 6370 C HN 3.256 nan 8.230 nan 0.000 0.000 6371 G N -0.976 nan 108.800 nan 0.000 0.000 6371 G HA2 1.156 5.116 3.960 0.000 0.000 0.000 6371 G HA3 1.156 5.116 3.960 0.000 0.000 0.000 6371 G C -0.942 nan 174.900 nan 0.000 0.000 6371 G CA 1.271 46.379 45.100 0.014 0.000 0.000 6371 G HN 2.982 nan 8.290 nan 0.000 0.000 6372 K N -2.533 nan 120.400 nan 0.000 0.000 6372 K HA 1.158 5.478 4.320 0.000 0.000 0.000 6372 K C -0.334 nan 176.600 nan 0.000 0.000 6372 K CA 1.019 57.278 56.287 -0.046 0.000 0.000 6372 K CB 0.302 nan 32.500 nan 0.000 0.000 6372 K HN 2.696 nan 8.250 nan 0.000 0.000 6373 K N -1.744 nan 120.400 nan 0.000 0.000 6373 K HA 1.071 5.391 4.320 0.000 0.000 0.000 6373 K C 0.294 nan 176.600 nan 0.000 0.000 6373 K CA 1.025 57.370 56.287 0.097 0.000 0.000 6373 K CB -0.002 nan 32.500 nan 0.000 0.000 6373 K HN 2.803 nan 8.250 nan 0.000 0.000 6374 T N -2.108 nan 114.554 nan 0.000 0.000 6374 T HA 1.088 5.438 4.350 0.000 0.000 0.000 6374 T C 0.442 nan 174.700 nan 0.000 0.000 6374 T CA 0.914 63.088 62.100 0.122 0.000 0.000 6374 T CB 0.084 nan 68.868 nan 0.000 0.000 6374 T HN 2.678 nan 8.240 nan 0.000 0.000 6375 T N -2.138 nan 114.554 nan 0.000 0.000 6375 T HA 0.963 5.313 4.350 0.000 0.000 0.000 6375 T C -0.008 nan 174.700 nan 0.000 0.000 6375 T CA 0.502 62.658 62.100 0.095 0.000 0.000 6375 T CB -0.295 nan 68.868 nan 0.000 0.000 6375 T HN 2.917 nan 8.240 nan 0.000 0.000 6376 C N -1.181 nan 119.300 nan 0.000 0.000 6376 C HA 1.250 5.710 4.460 0.000 0.000 0.000 6376 C C 0.034 nan 174.990 nan 0.000 0.000 6376 C CA 0.634 59.689 59.018 0.061 0.000 0.000 6376 C CB -0.007 nan 27.740 nan 0.000 0.000 6376 C HN 2.761 nan 8.230 nan 0.000 0.000 6377 N N -0.837 nan 118.700 nan 0.000 0.000 6377 N HA 1.160 5.900 4.740 0.000 0.000 0.000 6377 N C -0.596 nan 175.510 nan 0.000 0.000 6377 N CA 1.050 54.107 53.050 0.010 0.000 0.000 6377 N CB 0.388 nan 38.487 nan 0.000 0.000 6377 N HN 2.978 nan 8.380 nan 0.000 0.000 6378 A N -2.643 nan 122.820 nan 0.000 0.000 6378 A HA 1.156 5.476 4.320 0.000 0.000 0.000 6378 A C -0.278 nan 177.584 nan 0.000 0.000 6378 A CA 1.489 53.523 52.037 -0.005 0.000 0.000 6378 A CB -0.487 nan 19.000 nan 0.000 0.000 6378 A HN 2.730 nan 8.150 nan 0.000 0.000 6379 E N -2.023 nan 120.200 nan 0.000 0.000 6379 E HA 0.886 5.236 4.350 0.000 0.000 0.000 6379 E C -0.092 nan 176.600 nan 0.000 0.000 6379 E CA 0.310 56.696 56.400 -0.023 0.000 0.000 6379 E CB -0.059 nan 29.700 nan 0.000 0.000 6379 E HN 2.887 nan 8.360 nan 0.000 0.000 6380 C N 0.000 nan 119.300 nan 0.000 2.653 6380 C HA 0.000 4.460 4.460 0.000 0.000 0.325 6380 C CA 0.000 58.962 59.018 -0.093 0.000 1.963 6380 C CB 0.000 nan 27.740 nan 0.000 2.134 6380 C HN 0.000 nan 8.230 nan 0.000 0.568