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 1e6y_1_F DATA FIRST_RESID 6002 DATA SEQUENCE AYERQYYPGA TSVAANRRKH MSGKLEKLRE ISDEDLTAVL GHRAPGSDYP DATA SEQUENCE STHPPLAEMG EPAXSTRENV AATPGAAAGD RVRYIQFADS MYNAPATPYF DATA SEQUENCE RSYFAAINFR GVDPGTLSGR QIVEARERDM EQCAKVQMET EITDHALAGV DATA SEQUENCE RGATVHGHSV RLQEDGVMFD MLDRRRLENG TIIMDKDQVA IPLDRKVDLG DATA SEQUENCE KPMSSEEAAK RTTIYRVDNV AFRDDAEVVE WVHRIFDQRT KFGFQPK 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 6002 A HA 0.000 nan 4.320 nan 0.000 0.244 6002 A C 0.000 177.651 177.584 0.112 0.000 1.274 6002 A CA 0.000 52.076 52.037 0.065 0.000 0.836 6002 A CB 0.000 19.019 19.000 0.032 0.000 0.831 6003 Y N 0.654 120.946 120.300 -0.013 0.000 2.331 6003 Y HA 0.666 5.216 4.550 0.000 0.000 0.334 6003 Y C -0.191 175.691 175.900 -0.030 0.000 0.960 6003 Y CA -0.669 57.418 58.100 -0.022 0.000 1.130 6003 Y CB 1.741 40.184 38.460 -0.029 0.000 1.164 6003 Y HN 0.745 nan 8.280 nan 0.000 0.458 6004 E N 5.356 125.134 120.200 -0.704 0.000 2.089 6004 E HA 0.304 4.654 4.350 0.000 0.000 0.284 6004 E C -0.650 175.455 176.600 -0.825 0.000 1.023 6004 E CA -0.290 55.786 56.400 -0.539 0.000 0.819 6004 E CB 0.317 29.832 29.700 -0.308 0.000 1.076 6004 E HN 0.614 nan 8.360 nan 0.000 0.396 6005 R N 2.459 122.628 120.500 -0.553 0.000 2.590 6005 R HA 0.017 4.358 4.340 0.000 0.000 0.274 6005 R C 1.089 177.122 176.300 -0.445 0.000 1.061 6005 R CA 0.409 56.182 56.100 -0.545 0.000 1.081 6005 R CB 0.567 30.426 30.300 -0.735 0.000 0.984 6005 R HN 0.674 nan 8.270 nan 0.000 0.448 6006 Q N 2.009 121.636 119.800 -0.289 0.000 2.317 6006 Q HA 0.018 4.359 4.340 0.000 0.000 0.220 6006 Q C 0.047 176.129 176.000 0.137 0.000 0.873 6006 Q CA 0.041 55.822 55.803 -0.037 0.000 0.936 6006 Q CB 0.385 29.126 28.738 0.007 0.000 1.105 6006 Q HN 0.789 nan 8.270 nan 0.000 0.520 6007 Y N -1.348 119.014 120.300 0.103 0.000 2.740 6007 Y HA -0.406 4.144 4.550 0.000 0.000 0.482 6007 Y C -0.022 175.982 175.900 0.172 0.000 1.156 6007 Y CA 1.902 60.079 58.100 0.129 0.000 2.839 6007 Y CB -1.133 37.412 38.460 0.141 0.000 0.979 6007 Y HN 0.434 nan 8.280 nan 0.000 0.561 6008 Y N 1.322 121.707 120.300 0.143 0.000 2.521 6008 Y HA 0.497 5.047 4.550 0.000 0.000 0.328 6008 Y C -2.695 173.200 175.900 -0.008 0.000 1.151 6008 Y CA -2.294 55.811 58.100 0.008 0.000 1.054 6008 Y CB 1.619 40.124 38.460 0.075 0.000 1.338 6008 Y HN -0.204 nan 8.280 nan 0.000 0.453 6009 P HA 0.625 nan 4.420 nan 0.000 0.279 6009 P C -0.483 176.744 177.300 -0.122 0.000 1.282 6009 P CA 0.350 63.279 63.100 -0.285 0.000 0.788 6009 P CB 1.193 32.702 31.700 -0.317 0.000 1.139 6010 G N -2.035 106.755 108.800 -0.017 0.000 2.640 6010 G HA2 0.261 4.221 3.960 0.000 0.000 0.686 6010 G HA3 0.261 4.221 3.960 0.000 0.000 0.686 6010 G C -0.096 174.846 174.900 0.071 0.000 1.229 6010 G CA -0.151 44.991 45.100 0.071 0.000 0.796 6010 G HN 0.552 nan 8.290 nan 0.000 0.654 6011 A N 0.365 123.225 122.820 0.066 0.000 2.469 6011 A HA 0.688 5.008 4.320 0.000 0.000 0.245 6011 A C 1.498 179.110 177.584 0.046 0.000 1.221 6011 A CA 1.731 53.795 52.037 0.045 0.000 0.946 6011 A CB -0.016 19.001 19.000 0.028 0.000 1.049 6011 A HN 2.306 nan 8.150 nan 0.000 0.529 6012 T N -2.415 112.183 114.554 0.073 0.000 2.824 6012 T HA 0.362 4.712 4.350 0.000 0.000 0.277 6012 T C 1.466 176.166 174.700 0.000 0.000 0.975 6012 T CA 0.366 62.499 62.100 0.055 0.000 0.966 6012 T CB 1.073 70.013 68.868 0.120 0.000 1.054 6012 T HN 0.493 nan 8.240 nan 0.000 0.533 6013 S N -0.007 115.674 115.700 -0.032 0.000 2.382 6013 S HA -0.127 4.343 4.470 0.000 0.000 0.228 6013 S C 2.013 176.516 174.600 -0.161 0.000 1.027 6013 S CA 1.184 59.337 58.200 -0.079 0.000 0.991 6013 S CB -1.197 61.960 63.200 -0.072 0.000 0.823 6013 S HN 0.550 nan 8.310 nan 0.000 0.469 6014 V N 2.655 122.429 119.914 -0.233 0.000 2.287 6014 V HA -0.154 3.966 4.120 0.000 0.000 0.248 6014 V C 3.167 179.012 176.094 -0.415 0.000 1.053 6014 V CA 1.795 63.820 62.300 -0.458 0.000 1.027 6014 V CB -1.552 29.725 31.823 -0.910 0.000 0.646 6014 V HN 0.688 nan 8.190 nan 0.000 0.447 6015 A N -0.156 122.555 122.820 -0.183 0.000 1.898 6015 A HA -0.054 4.266 4.320 0.000 0.000 0.216 6015 A C 2.416 179.963 177.584 -0.062 0.000 1.181 6015 A CA 1.929 53.956 52.037 -0.017 0.000 0.620 6015 A CB -0.739 18.363 19.000 0.170 0.000 0.819 6015 A HN 0.565 nan 8.150 nan 0.000 0.442 6016 A N 0.314 123.091 122.820 -0.071 0.000 1.902 6016 A HA -0.186 4.134 4.320 0.000 0.000 0.217 6016 A C 1.920 179.432 177.584 -0.121 0.000 1.181 6016 A CA 1.722 53.723 52.037 -0.061 0.000 0.623 6016 A CB -0.585 18.388 19.000 -0.045 0.000 0.818 6016 A HN 0.541 nan 8.150 nan 0.000 0.443 6017 N N -0.209 118.364 118.700 -0.212 0.000 2.188 6017 N HA -0.107 4.633 4.740 0.000 0.000 0.184 6017 N C 1.835 177.067 175.510 -0.463 0.000 1.018 6017 N CA 1.186 54.056 53.050 -0.301 0.000 0.858 6017 N CB -0.398 37.860 38.487 -0.381 0.000 0.989 6017 N HN 0.523 nan 8.380 nan 0.000 0.426 6018 R N 0.850 121.019 120.500 -0.552 0.000 2.073 6018 R HA 0.032 4.372 4.340 0.000 0.000 0.234 6018 R C 2.239 178.418 176.300 -0.202 0.000 1.134 6018 R CA 1.098 56.800 56.100 -0.664 0.000 0.952 6018 R CB -0.120 29.497 30.300 -1.139 0.000 0.850 6018 R HN 0.238 nan 8.270 nan 0.000 0.433 6019 R N 0.609 121.048 120.500 -0.100 0.000 2.120 6019 R HA -0.101 4.239 4.340 0.000 0.000 0.234 6019 R C 2.143 178.382 176.300 -0.102 0.000 1.123 6019 R CA 1.211 57.293 56.100 -0.029 0.000 0.975 6019 R CB -0.112 30.223 30.300 0.057 0.000 0.866 6019 R HN 0.203 nan 8.270 nan 0.000 0.446 6020 K N -0.331 120.040 120.400 -0.048 0.000 2.026 6020 K HA -0.135 4.185 4.320 0.000 0.000 0.208 6020 K C 1.961 178.615 176.600 0.090 0.000 1.048 6020 K CA 1.336 57.627 56.287 0.007 0.000 0.929 6020 K CB -0.153 32.375 32.500 0.048 0.000 0.713 6020 K HN 0.457 nan 8.250 nan 0.000 0.439 6021 H N -0.028 118.999 119.070 -0.071 0.000 2.353 6021 H HA -0.062 4.494 4.556 0.000 0.000 0.300 6021 H C 2.246 177.678 175.328 0.174 0.000 1.090 6021 H CA 1.287 57.335 56.048 0.000 0.000 1.327 6021 H CB 0.038 29.802 29.762 0.003 0.000 1.383 6021 H HN 0.162 nan 8.280 nan 0.000 0.508 6022 M N 0.413 120.162 119.600 0.248 0.000 2.132 6022 M HA -0.123 4.357 4.480 0.000 0.000 0.263 6022 M C 2.552 178.794 176.300 -0.097 0.000 1.065 6022 M CA 1.601 57.005 55.300 0.173 0.000 1.122 6022 M CB -0.009 32.683 32.600 0.154 0.000 1.365 6022 M HN 0.205 nan 8.290 nan 0.000 0.411 6023 S N -0.653 114.793 115.700 -0.425 0.000 2.562 6023 S HA 0.171 4.641 4.470 0.000 0.000 0.221 6023 S C 1.551 176.108 174.600 -0.072 0.000 0.975 6023 S CA 0.472 58.389 58.200 -0.472 0.000 0.918 6023 S CB -0.343 62.483 63.200 -0.622 0.000 0.772 6023 S HN 0.689 nan 8.310 nan 0.000 0.531 6024 G N 1.493 110.350 108.800 0.094 0.000 2.148 6024 G HA2 -0.277 3.683 3.960 0.000 0.000 0.254 6024 G HA3 -0.277 3.683 3.960 0.000 0.000 0.254 6024 G C -0.002 174.958 174.900 0.100 0.000 0.981 6024 G CA 0.261 45.501 45.100 0.233 0.000 0.670 6024 G HN 0.575 nan 8.290 nan 0.000 0.528 6025 K N 0.539 120.953 120.400 0.024 0.000 2.155 6025 K HA 0.440 4.760 4.320 0.000 0.000 0.240 6025 K C 0.203 176.795 176.600 -0.012 0.000 1.193 6025 K CA 0.071 56.360 56.287 0.004 0.000 1.104 6025 K CB 0.095 32.588 32.500 -0.011 0.000 1.558 6025 K HN 0.337 nan 8.250 nan 0.000 0.313 6026 L N 1.454 122.662 121.223 -0.026 0.000 2.341 6026 L HA 0.290 4.630 4.340 0.000 0.000 0.278 6026 L C 0.287 177.125 176.870 -0.053 0.000 1.005 6026 L CA -0.793 53.998 54.840 -0.082 0.000 0.818 6026 L CB 1.716 43.662 42.059 -0.189 0.000 1.259 6026 L HN 0.426 nan 8.230 nan 0.000 0.418 6027 E N 3.962 124.130 120.200 -0.053 0.000 2.324 6027 E HA 0.021 4.371 4.350 0.000 0.000 0.271 6027 E C -0.414 176.163 176.600 -0.039 0.000 1.028 6027 E CA -0.358 56.021 56.400 -0.035 0.000 0.890 6027 E CB 0.843 30.526 29.700 -0.029 0.000 1.004 6027 E HN 0.346 nan 8.360 nan 0.000 0.431 6028 K N 4.951 125.339 120.400 -0.019 0.000 2.379 6028 K HA 0.063 4.383 4.320 0.000 0.000 0.284 6028 K C 0.401 176.996 176.600 -0.008 0.000 1.044 6028 K CA -0.039 56.242 56.287 -0.010 0.000 0.974 6028 K CB 0.464 32.968 32.500 0.006 0.000 0.962 6028 K HN 0.649 nan 8.250 nan 0.000 0.474 6029 L N 4.546 125.766 121.223 -0.005 0.000 2.749 6029 L HA 0.206 4.546 4.340 0.000 0.000 0.242 6029 L C 0.571 177.449 176.870 0.014 0.000 1.103 6029 L CA -0.250 54.590 54.840 0.001 0.000 0.906 6029 L CB 0.202 42.258 42.059 -0.005 0.000 1.228 6029 L HN 0.700 nan 8.230 nan 0.000 0.517 6030 R N -0.502 120.011 120.500 0.021 0.000 2.741 6030 R HA 0.511 4.851 4.340 0.000 0.000 0.274 6030 R C -1.494 174.819 176.300 0.021 0.000 1.029 6030 R CA -0.841 55.273 56.100 0.023 0.000 0.880 6030 R CB 1.531 31.854 30.300 0.038 0.000 1.264 6030 R HN -0.177 nan 8.270 nan 0.000 0.465 6031 E N 0.821 121.028 120.200 0.011 0.000 2.238 6031 E HA 0.529 4.879 4.350 0.000 0.000 0.267 6031 E C -1.192 175.407 176.600 -0.002 0.000 0.887 6031 E CA -0.941 55.464 56.400 0.009 0.000 0.769 6031 E CB 2.887 32.591 29.700 0.006 0.000 1.187 6031 E HN 0.412 nan 8.360 nan 0.000 0.416 6032 I N 1.839 122.411 120.570 0.003 0.000 2.498 6032 I HA 0.242 4.412 4.170 0.000 0.000 0.290 6032 I C -0.177 175.938 176.117 -0.003 0.000 1.032 6032 I CA -0.482 60.812 61.300 -0.011 0.000 1.073 6032 I CB 1.494 39.485 38.000 -0.014 0.000 1.251 6032 I HN 0.656 nan 8.210 nan 0.000 0.426 6033 S N 4.073 119.765 115.700 -0.012 0.000 2.589 6033 S HA 0.120 4.590 4.470 0.000 0.000 0.265 6033 S C 0.636 175.233 174.600 -0.006 0.000 1.342 6033 S CA -0.312 57.884 58.200 -0.008 0.000 1.005 6033 S CB 1.060 64.251 63.200 -0.015 0.000 0.909 6033 S HN 0.674 nan 8.310 nan 0.000 0.555 6034 D N 0.997 121.397 120.400 -0.000 0.000 2.117 6034 D HA -0.090 4.550 4.640 0.000 0.000 0.197 6034 D C 1.857 178.147 176.300 -0.017 0.000 0.987 6034 D CA 1.627 55.629 54.000 0.003 0.000 0.829 6034 D CB -0.254 40.553 40.800 0.010 0.000 0.961 6034 D HN 0.785 nan 8.370 nan 0.000 0.460 6035 E N 0.233 120.417 120.200 -0.027 0.000 2.152 6035 E HA -0.120 4.230 4.350 0.000 0.000 0.192 6035 E C 1.353 177.923 176.600 -0.049 0.000 0.983 6035 E CA 0.634 57.008 56.400 -0.043 0.000 0.818 6035 E CB 0.083 29.759 29.700 -0.041 0.000 0.758 6035 E HN 0.219 nan 8.360 nan 0.000 0.467 6036 D N 0.783 121.157 120.400 -0.043 0.000 2.144 6036 D HA -0.115 4.525 4.640 0.000 0.000 0.200 6036 D C 1.922 178.187 176.300 -0.059 0.000 0.978 6036 D CA 0.436 54.404 54.000 -0.052 0.000 0.833 6036 D CB -0.090 40.681 40.800 -0.049 0.000 0.961 6036 D HN 0.059 nan 8.370 nan 0.000 0.470 6037 L N 0.672 121.868 121.223 -0.044 0.000 2.017 6037 L HA -0.122 4.218 4.340 0.000 0.000 0.208 6037 L C 2.095 178.927 176.870 -0.064 0.000 1.073 6037 L CA 1.755 56.571 54.840 -0.042 0.000 0.745 6037 L CB -0.993 41.062 42.059 -0.008 0.000 0.894 6037 L HN -0.065 nan 8.230 nan 0.000 0.432 6038 T N 0.028 114.548 114.554 -0.057 0.000 2.759 6038 T HA -0.166 4.184 4.350 0.000 0.000 0.269 6038 T C 1.904 176.535 174.700 -0.115 0.000 1.042 6038 T CA 1.292 63.346 62.100 -0.076 0.000 1.140 6038 T CB -0.547 68.276 68.868 -0.076 0.000 0.864 6038 T HN 0.546 nan 8.240 nan 0.000 0.455 6039 A N 0.938 123.697 122.820 -0.102 0.000 1.877 6039 A HA -0.039 4.281 4.320 0.000 0.000 0.216 6039 A C 2.592 180.094 177.584 -0.137 0.000 1.186 6039 A CA 1.629 53.601 52.037 -0.108 0.000 0.620 6039 A CB -1.130 17.819 19.000 -0.084 0.000 0.822 6039 A HN 0.382 nan 8.150 nan 0.000 0.443 6040 V N -0.102 119.730 119.914 -0.136 0.000 2.515 6040 V HA -0.151 3.969 4.120 0.000 0.000 0.250 6040 V C 2.190 178.146 176.094 -0.231 0.000 1.058 6040 V CA 2.047 64.254 62.300 -0.154 0.000 1.064 6040 V CB -0.425 31.321 31.823 -0.128 0.000 0.675 6040 V HN 0.530 nan 8.190 nan 0.000 0.461 6041 L N 0.792 121.845 121.223 -0.284 0.000 2.109 6041 L HA 0.240 4.580 4.340 0.000 0.000 0.207 6041 L C 2.030 178.433 176.870 -0.780 0.000 1.086 6041 L CA 1.156 55.697 54.840 -0.499 0.000 0.760 6041 L CB -0.856 40.974 42.059 -0.382 0.000 0.910 6041 L HN 0.564 nan 8.230 nan 0.000 0.437 6042 G N -0.812 107.690 108.800 -0.497 0.000 2.147 6042 G HA2 -0.265 3.695 3.960 0.000 0.000 0.244 6042 G HA3 -0.265 3.695 3.960 0.000 0.000 0.244 6042 G C 0.533 175.231 174.900 -0.337 0.000 1.005 6042 G CA 0.414 45.295 45.100 -0.366 0.000 0.713 6042 G HN 0.445 nan 8.290 nan 0.000 0.515 6043 H N -0.240 118.775 119.070 -0.090 0.000 2.547 6043 H HA 0.184 4.740 4.556 0.000 0.000 0.272 6043 H C 1.656 176.958 175.328 -0.043 0.000 0.971 6043 H CA 1.431 57.443 56.048 -0.059 0.000 1.245 6043 H CB 0.572 30.297 29.762 -0.061 0.000 1.440 6043 H HN 0.893 nan 8.280 nan 0.000 0.540 6044 R N -0.808 119.702 120.500 0.017 0.000 2.728 6044 R HA 0.629 4.969 4.340 0.000 0.000 0.274 6044 R C -1.175 175.088 176.300 -0.062 0.000 1.030 6044 R CA -0.760 55.327 56.100 -0.020 0.000 0.876 6044 R CB 1.048 31.327 30.300 -0.035 0.000 1.259 6044 R HN -0.037 nan 8.270 nan 0.000 0.468 6045 A N 1.670 124.451 122.820 -0.064 0.000 2.511 6045 A HA 0.359 4.679 4.320 0.000 0.000 0.242 6045 A C -2.097 175.434 177.584 -0.089 0.000 1.069 6045 A CA -1.085 50.910 52.037 -0.070 0.000 0.763 6045 A CB -0.452 18.513 19.000 -0.058 0.000 1.001 6045 A HN 0.480 nan 8.150 nan 0.000 0.498 6046 P HA 0.225 nan 4.420 nan 0.000 0.263 6046 P C 1.075 178.322 177.300 -0.088 0.000 1.195 6046 P CA 1.905 64.953 63.100 -0.086 0.000 0.762 6046 P CB 0.599 32.258 31.700 -0.069 0.000 0.799 6047 G N 2.036 110.770 108.800 -0.109 0.000 2.199 6047 G HA2 -0.253 3.707 3.960 0.000 0.000 0.254 6047 G HA3 -0.253 3.707 3.960 0.000 0.000 0.254 6047 G C 0.447 175.272 174.900 -0.125 0.000 0.982 6047 G CA 0.311 45.350 45.100 -0.102 0.000 0.632 6047 G HN 0.783 nan 8.290 nan 0.000 0.529 6048 S N 0.471 116.082 115.700 -0.148 0.000 2.614 6048 S HA 0.546 5.016 4.470 0.000 0.000 0.265 6048 S C -0.026 174.438 174.600 -0.227 0.000 1.303 6048 S CA -0.189 57.924 58.200 -0.145 0.000 1.000 6048 S CB 1.474 64.605 63.200 -0.114 0.000 0.935 6048 S HN 0.207 nan 8.310 nan 0.000 0.551 6049 D N 0.669 120.975 120.400 -0.156 0.000 2.382 6049 D HA 0.154 4.794 4.640 0.000 0.000 0.240 6049 D C -0.504 175.689 176.300 -0.177 0.000 1.146 6049 D CA 0.312 54.225 54.000 -0.145 0.000 0.897 6049 D CB 0.061 40.842 40.800 -0.032 0.000 1.197 6049 D HN 0.589 nan 8.370 nan 0.000 0.432 6050 Y N 0.989 121.281 120.300 -0.012 0.000 2.496 6050 Y HA 0.172 4.722 4.550 0.000 0.000 0.334 6050 Y C -1.369 174.516 175.900 -0.024 0.000 1.080 6050 Y CA -1.448 56.641 58.100 -0.018 0.000 1.355 6050 Y CB -0.166 38.280 38.460 -0.024 0.000 1.193 6050 Y HN 0.111 nan 8.280 nan 0.000 0.523 6051 P HA 0.057 nan 4.420 nan 0.000 0.269 6051 P C -0.742 176.578 177.300 0.034 0.000 1.217 6051 P CA -0.257 62.874 63.100 0.051 0.000 0.783 6051 P CB 0.679 32.400 31.700 0.034 0.000 0.898 6052 S N -1.435 114.263 115.700 -0.004 0.000 2.566 6052 S HA 0.459 4.929 4.470 0.000 0.000 0.298 6052 S C 0.520 175.082 174.600 -0.063 0.000 1.083 6052 S CA -0.328 57.836 58.200 -0.059 0.000 0.978 6052 S CB 1.635 64.797 63.200 -0.063 0.000 1.073 6052 S HN 0.431 nan 8.310 nan 0.000 0.491 6053 T N -0.085 114.394 114.554 -0.125 0.000 3.015 6053 T HA 0.245 4.595 4.350 0.000 0.000 0.250 6053 T C -0.018 174.695 174.700 0.021 0.000 1.057 6053 T CA 0.888 62.956 62.100 -0.053 0.000 1.066 6053 T CB -0.435 68.412 68.868 -0.035 0.000 0.959 6053 T HN 0.956 nan 8.240 nan 0.000 0.488 6054 H N -1.421 117.653 119.070 0.006 0.000 3.008 6054 H HA 0.724 5.280 4.556 0.000 0.000 0.354 6054 H C -3.306 172.026 175.328 0.007 0.000 1.252 6054 H CA -2.496 53.555 56.048 0.006 0.000 1.117 6054 H CB -0.085 29.678 29.762 0.003 0.000 1.857 6054 H HN -0.174 nan 8.280 nan 0.000 0.547 6055 P HA 0.147 nan 4.420 nan 0.000 0.270 6055 P C -2.527 174.892 177.300 0.199 0.000 1.223 6055 P CA -0.951 62.234 63.100 0.142 0.000 0.785 6055 P CB -0.161 31.597 31.700 0.097 0.000 0.923 6056 P HA 0.031 nan 4.420 nan 0.000 0.267 6056 P C 0.980 178.340 177.300 0.101 0.000 1.200 6056 P CA 0.283 63.437 63.100 0.089 0.000 0.772 6056 P CB 0.249 31.976 31.700 0.046 0.000 0.855 6057 L N 1.852 123.134 121.223 0.098 0.000 2.079 6057 L HA -0.264 4.076 4.340 0.000 0.000 0.210 6057 L C 2.279 179.169 176.870 0.035 0.000 1.081 6057 L CA 2.098 56.974 54.840 0.061 0.000 0.752 6057 L CB -1.052 41.037 42.059 0.051 0.000 0.896 6057 L HN 0.444 nan 8.230 nan 0.000 0.433 6058 A N -0.459 122.381 122.820 0.033 0.000 1.969 6058 A HA -0.228 4.092 4.320 0.000 0.000 0.218 6058 A C 2.303 179.900 177.584 0.021 0.000 1.169 6058 A CA 1.743 53.793 52.037 0.023 0.000 0.635 6058 A CB -0.355 18.657 19.000 0.021 0.000 0.810 6058 A HN 0.504 nan 8.150 nan 0.000 0.445 6059 E N -0.692 119.526 120.200 0.029 0.000 2.060 6059 E HA -0.079 4.271 4.350 0.000 0.000 0.189 6059 E C 2.055 178.668 176.600 0.021 0.000 0.974 6059 E CA 0.832 57.248 56.400 0.026 0.000 0.808 6059 E CB -0.158 29.562 29.700 0.033 0.000 0.768 6059 E HN 0.626 nan 8.360 nan 0.000 0.453 6060 M N 0.275 119.889 119.600 0.024 0.000 2.132 6060 M HA 0.045 4.525 4.480 0.000 0.000 0.263 6060 M C 1.099 177.399 176.300 -0.001 0.000 1.065 6060 M CA 1.138 56.443 55.300 0.008 0.000 1.122 6060 M CB -0.265 32.332 32.600 -0.006 0.000 1.365 6060 M HN 0.252 nan 8.290 nan 0.000 0.411 6061 G N 1.946 110.746 108.800 0.001 0.000 2.755 6061 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 6061 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 6061 G C -0.845 174.046 174.900 -0.014 0.000 1.427 6061 G CA -0.259 44.838 45.100 -0.004 0.000 0.873 6061 G HN 0.603 nan 8.290 nan 0.000 0.580 6062 E N 0.057 120.249 120.200 -0.013 0.000 2.408 6062 E HA 0.688 5.038 4.350 0.000 0.000 0.275 6062 E C -2.833 173.759 176.600 -0.014 0.000 0.935 6062 E CA -2.009 54.379 56.400 -0.020 0.000 0.775 6062 E CB 1.237 30.925 29.700 -0.021 0.000 1.277 6062 E HN 0.447 nan 8.360 nan 0.000 0.455 6063 P HA 0.139 nan 4.420 nan 0.000 0.266 6063 P C -0.918 176.377 177.300 -0.008 0.000 1.193 6063 P CA 0.024 63.117 63.100 -0.012 0.000 0.770 6063 P CB 0.559 32.251 31.700 -0.013 0.000 0.836 6067 T N 2.801 117.355 114.554 0.000 0.000 2.777 6067 T HA 0.086 4.436 4.350 0.000 0.000 0.266 6067 T C 1.818 176.519 174.700 0.002 0.000 1.040 6067 T CA 1.495 63.596 62.100 0.002 0.000 1.141 6067 T CB -0.270 68.599 68.868 0.002 0.000 0.868 6067 T HN 0.392 nan 8.240 nan 0.000 0.444 6068 R N 0.830 121.331 120.500 0.001 0.000 2.115 6068 R HA -0.025 4.315 4.340 0.000 0.000 0.230 6068 R C 2.475 178.776 176.300 0.002 0.000 1.111 6068 R CA 1.156 57.257 56.100 0.001 0.000 0.976 6068 R CB -0.108 30.191 30.300 -0.002 0.000 0.870 6068 R HN 0.553 nan 8.270 nan 0.000 0.445 6069 E N 0.075 120.275 120.200 0.002 0.000 2.107 6069 E HA -0.099 4.251 4.350 0.000 0.000 0.191 6069 E C 1.414 178.015 176.600 0.003 0.000 0.982 6069 E CA 0.989 57.390 56.400 0.002 0.000 0.809 6069 E CB -0.006 29.695 29.700 0.001 0.000 0.756 6069 E HN 0.452 nan 8.360 nan 0.000 0.459 6070 N N 0.070 118.771 118.700 0.003 0.000 2.395 6070 N HA -0.000 4.740 4.740 0.000 0.000 0.175 6070 N C -0.320 175.192 175.510 0.004 0.000 1.029 6070 N CA -0.003 53.049 53.050 0.003 0.000 0.897 6070 N CB 0.794 39.283 38.487 0.003 0.000 0.991 6070 N HN -0.118 nan 8.380 nan 0.000 0.441 6071 V N 1.961 121.878 119.914 0.005 0.000 2.333 6071 V HA 0.397 4.517 4.120 0.000 0.000 0.274 6071 V C 0.068 176.166 176.094 0.007 0.000 1.028 6071 V CA -0.892 61.412 62.300 0.007 0.000 0.851 6071 V CB 0.765 32.593 31.823 0.008 0.000 1.000 6071 V HN 0.121 nan 8.190 nan 0.000 0.456 6072 A N 4.718 127.542 122.820 0.007 0.000 2.492 6072 A HA 0.658 4.978 4.320 0.000 0.000 0.254 6072 A C 0.834 178.424 177.584 0.010 0.000 1.091 6072 A CA 0.195 52.236 52.037 0.008 0.000 0.768 6072 A CB 0.187 19.191 19.000 0.006 0.000 1.028 6072 A HN 1.292 nan 8.150 nan 0.000 0.498 6073 A N 3.355 126.181 122.820 0.011 0.000 2.477 6073 A HA 0.504 4.824 4.320 0.000 0.000 0.246 6073 A C 1.127 178.717 177.584 0.010 0.000 1.078 6073 A CA 0.377 52.422 52.037 0.014 0.000 0.770 6073 A CB -0.433 18.578 19.000 0.019 0.000 1.011 6073 A HN 1.575 nan 8.150 nan 0.000 0.494 6074 T N 0.811 115.370 114.554 0.008 0.000 2.734 6074 T HA 0.232 4.582 4.350 0.000 0.000 0.314 6074 T C -1.749 172.944 174.700 -0.012 0.000 1.057 6074 T CA -0.555 61.546 62.100 0.001 0.000 1.047 6074 T CB 0.024 68.893 68.868 0.001 0.000 0.991 6074 T HN 0.376 nan 8.240 nan 0.000 0.540 6075 P HA 0.024 nan 4.420 nan 0.000 0.216 6075 P C 1.781 179.034 177.300 -0.078 0.000 1.150 6075 P CA 1.309 64.383 63.100 -0.042 0.000 0.837 6075 P CB -0.439 31.233 31.700 -0.046 0.000 0.786 6076 G N -0.192 108.546 108.800 -0.102 0.000 2.403 6076 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 6076 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 6076 G C 1.616 176.461 174.900 -0.091 0.000 1.154 6076 G CA 0.802 45.816 45.100 -0.144 0.000 0.784 6076 G HN 0.305 nan 8.290 nan 0.000 0.538 6077 A N 1.298 124.095 122.820 -0.038 0.000 1.873 6077 A HA 0.311 4.631 4.320 0.000 0.000 0.215 6077 A C 2.818 180.425 177.584 0.037 0.000 1.186 6077 A CA 2.126 54.171 52.037 0.014 0.000 0.616 6077 A CB -0.831 18.188 19.000 0.032 0.000 0.823 6077 A HN 0.740 nan 8.150 nan 0.000 0.442 6078 A N -0.198 122.631 122.820 0.014 0.000 1.940 6078 A HA 0.129 4.449 4.320 0.000 0.000 0.219 6078 A C 2.378 179.972 177.584 0.017 0.000 1.176 6078 A CA 2.124 54.175 52.037 0.023 0.000 0.631 6078 A CB -0.835 18.170 19.000 0.008 0.000 0.814 6078 A HN 1.104 nan 8.150 nan 0.000 0.446 6079 A N -2.060 120.745 122.820 -0.024 0.000 2.169 6079 A HA 0.399 4.719 4.320 0.000 0.000 0.212 6079 A C 1.854 179.390 177.584 -0.080 0.000 1.153 6079 A CA 1.270 53.284 52.037 -0.039 0.000 0.756 6079 A CB -0.859 18.104 19.000 -0.061 0.000 0.813 6079 A HN 1.958 nan 8.150 nan 0.000 0.471 6080 G N 0.105 108.819 108.800 -0.143 0.000 2.160 6080 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 6080 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 6080 G C -0.433 174.213 174.900 -0.422 0.000 1.022 6080 G CA 0.164 44.979 45.100 -0.474 0.000 0.741 6080 G HN 0.460 nan 8.290 nan 0.000 0.508 6081 D N 0.248 120.507 120.400 -0.235 0.000 2.478 6081 D HA 0.219 4.859 4.640 0.000 0.000 0.234 6081 D C 1.469 177.674 176.300 -0.158 0.000 1.154 6081 D CA 0.203 54.107 54.000 -0.159 0.000 0.874 6081 D CB 0.420 41.120 40.800 -0.167 0.000 1.198 6081 D HN 0.542 nan 8.370 nan 0.000 0.455 6082 R N 0.269 120.714 120.500 -0.093 0.000 2.756 6082 R HA 0.146 4.486 4.340 0.000 0.000 0.264 6082 R C -0.345 175.910 176.300 -0.074 0.000 1.026 6082 R CA -0.336 55.722 56.100 -0.071 0.000 1.121 6082 R CB 0.261 30.534 30.300 -0.046 0.000 0.999 6082 R HN 0.148 nan 8.270 nan 0.000 0.449 6083 V N 4.597 124.479 119.914 -0.054 0.000 2.389 6083 V HA 0.166 4.286 4.120 0.000 0.000 0.264 6083 V C 0.445 176.498 176.094 -0.068 0.000 1.049 6083 V CA -0.017 62.255 62.300 -0.047 0.000 0.932 6083 V CB 0.415 32.230 31.823 -0.014 0.000 1.011 6083 V HN 0.613 nan 8.190 nan 0.000 0.475 6084 R N 3.644 124.069 120.500 -0.125 0.000 3.084 6084 R HA 0.688 5.028 4.340 0.000 0.000 0.234 6084 R C -0.869 175.377 176.300 -0.090 0.000 1.433 6084 R CA -0.771 55.172 56.100 -0.263 0.000 1.053 6084 R CB 1.628 31.463 30.300 -0.774 0.000 1.449 6084 R HN 0.694 nan 8.270 nan 0.000 0.505 6085 Y N -2.023 118.158 120.300 -0.197 0.000 2.625 6085 Y HA 0.755 5.305 4.550 0.000 0.000 0.338 6085 Y C -1.079 174.888 175.900 0.113 0.000 1.123 6085 Y CA -1.299 56.796 58.100 -0.008 0.000 1.046 6085 Y CB 1.504 39.958 38.460 -0.010 0.000 1.299 6085 Y HN 0.501 nan 8.280 nan 0.000 0.464 6086 I N 2.283 122.870 120.570 0.028 0.000 2.582 6086 I HA 0.488 4.658 4.170 0.000 0.000 0.292 6086 I C -1.618 174.535 176.117 0.061 0.000 1.066 6086 I CA -0.704 60.546 61.300 -0.083 0.000 1.053 6086 I CB 2.088 40.021 38.000 -0.111 0.000 1.241 6086 I HN 0.918 nan 8.210 nan 0.000 0.421 6087 Q N 6.093 125.861 119.800 -0.053 0.000 2.323 6087 Q HA 0.511 4.851 4.340 0.000 0.000 0.271 6087 Q C -2.125 173.724 176.000 -0.251 0.000 1.048 6087 Q CA -0.573 55.227 55.803 -0.004 0.000 0.792 6087 Q CB 2.010 30.828 28.738 0.134 0.000 1.280 6087 Q HN 0.628 nan 8.270 nan 0.000 0.441 6088 F N 1.190 121.159 119.950 0.031 0.000 2.508 6088 F HA 0.764 5.291 4.527 0.000 0.000 0.325 6088 F C 0.097 175.890 175.800 -0.012 0.000 1.090 6088 F CA -0.745 57.258 58.000 0.005 0.000 0.945 6088 F CB 2.113 41.100 39.000 -0.020 0.000 1.156 6088 F HN 0.608 nan 8.300 nan 0.000 0.463 6089 A N 2.012 124.944 122.820 0.187 0.000 2.324 6089 A HA 0.657 4.977 4.320 0.000 0.000 0.330 6089 A C -1.202 176.457 177.584 0.125 0.000 1.165 6089 A CA -0.578 51.529 52.037 0.118 0.000 0.813 6089 A CB 0.613 19.676 19.000 0.104 0.000 1.197 6089 A HN 0.707 nan 8.150 nan 0.000 0.484 6090 D N 1.326 121.774 120.400 0.080 0.000 2.757 6090 D HA 0.276 4.916 4.640 0.000 0.000 0.249 6090 D C -0.559 175.792 176.300 0.085 0.000 1.168 6090 D CA -0.032 54.000 54.000 0.053 0.000 0.870 6090 D CB 2.042 42.838 40.800 -0.007 0.000 1.411 6090 D HN 0.460 nan 8.370 nan 0.000 0.525 6091 S N 1.694 117.444 115.700 0.083 0.000 2.560 6091 S HA 0.040 4.510 4.470 0.000 0.000 0.284 6091 S C 1.451 176.064 174.600 0.022 0.000 1.327 6091 S CA -0.083 58.175 58.200 0.098 0.000 1.055 6091 S CB 0.477 63.762 63.200 0.141 0.000 0.868 6091 S HN 0.384 nan 8.310 nan 0.000 0.506 6092 M N 4.071 123.627 119.600 -0.073 0.000 2.659 6092 M HA 0.051 4.531 4.480 0.000 0.000 0.243 6092 M C -0.466 175.590 176.300 -0.406 0.000 1.111 6092 M CA 0.595 55.762 55.300 -0.222 0.000 1.070 6092 M CB -0.118 32.312 32.600 -0.283 0.000 1.525 6092 M HN 0.684 nan 8.290 nan 0.000 0.517 6093 Y N 1.615 121.917 120.300 0.002 0.000 2.903 6093 Y HA 0.163 4.713 4.550 0.000 0.000 0.387 6093 Y C 0.198 176.090 175.900 -0.013 0.000 1.189 6093 Y CA -0.572 57.525 58.100 -0.005 0.000 1.856 6093 Y CB -0.800 37.657 38.460 -0.006 0.000 1.917 6093 Y HN 0.286 nan 8.280 nan 0.000 0.448 6094 N N -0.555 118.149 118.700 0.007 0.000 2.780 6094 N HA -0.185 4.555 4.740 0.000 0.000 0.248 6094 N C -0.049 175.452 175.510 -0.016 0.000 1.102 6094 N CA 0.667 53.709 53.050 -0.013 0.000 0.697 6094 N CB -1.252 37.241 38.487 0.009 0.000 1.028 6094 N HN 0.522 nan 8.380 nan 0.000 0.554 6095 A N 0.204 123.015 122.820 -0.015 0.000 2.540 6095 A HA 0.316 4.636 4.320 0.000 0.000 0.239 6095 A C -0.624 176.922 177.584 -0.064 0.000 1.061 6095 A CA -0.522 51.496 52.037 -0.033 0.000 0.758 6095 A CB 0.283 19.268 19.000 -0.025 0.000 0.991 6095 A HN 0.022 nan 8.150 nan 0.000 0.502 6096 P HA -0.123 nan 4.420 nan 0.000 0.216 6096 P C 0.529 177.826 177.300 -0.005 0.000 1.153 6096 P CA 2.070 65.141 63.100 -0.050 0.000 0.858 6096 P CB 0.101 31.774 31.700 -0.045 0.000 0.789 6097 A N -0.591 122.213 122.820 -0.027 0.000 2.310 6097 A HA 0.534 4.854 4.320 0.000 0.000 0.299 6097 A C 0.272 177.834 177.584 -0.036 0.000 1.147 6097 A CA -0.028 52.007 52.037 -0.004 0.000 0.818 6097 A CB 0.114 19.033 19.000 -0.135 0.000 1.096 6097 A HN 0.157 nan 8.150 nan 0.000 0.495 6098 T N 0.095 114.655 114.554 0.009 0.000 2.887 6098 T HA 0.586 4.936 4.350 0.000 0.000 0.288 6098 T C -2.383 172.323 174.700 0.010 0.000 1.021 6098 T CA -1.804 60.309 62.100 0.022 0.000 1.000 6098 T CB 1.691 70.611 68.868 0.087 0.000 1.034 6098 T HN 0.229 nan 8.240 nan 0.000 0.467 6099 P HA -0.113 nan 4.420 nan 0.000 0.215 6099 P C 0.919 178.016 177.300 -0.339 0.000 1.157 6099 P CA 1.322 64.286 63.100 -0.227 0.000 0.874 6099 P CB -0.153 31.340 31.700 -0.344 0.000 0.790 6100 Y N -2.637 117.485 120.300 -0.296 0.000 2.274 6100 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 6100 Y C 2.066 177.220 175.900 -1.243 0.000 1.145 6100 Y CA 0.917 58.568 58.100 -0.748 0.000 1.203 6100 Y CB -0.741 37.261 38.460 -0.762 0.000 0.984 6100 Y HN -0.098 nan 8.280 nan 0.000 0.533 6101 F N -1.024 118.722 119.950 -0.339 0.000 2.512 6101 F HA -0.007 4.520 4.527 0.000 0.000 0.296 6101 F C 2.137 177.948 175.800 0.018 0.000 1.110 6101 F CA 0.561 58.468 58.000 -0.155 0.000 1.446 6101 F CB -0.241 38.728 39.000 -0.052 0.000 1.092 6101 F HN -0.168 nan 8.300 nan 0.000 0.554 6102 R N -0.334 120.208 120.500 0.070 0.000 2.081 6102 R HA -0.119 4.221 4.340 0.000 0.000 0.235 6102 R C 2.291 178.670 176.300 0.130 0.000 1.131 6102 R CA 1.647 57.803 56.100 0.093 0.000 0.960 6102 R CB -0.657 29.641 30.300 -0.003 0.000 0.856 6102 R HN 0.142 nan 8.270 nan 0.000 0.436 6103 S N -0.072 115.588 115.700 -0.067 0.000 2.383 6103 S HA -0.107 4.363 4.470 0.000 0.000 0.227 6103 S C 1.610 176.268 174.600 0.096 0.000 1.026 6103 S CA 1.034 59.213 58.200 -0.035 0.000 0.981 6103 S CB -0.212 62.907 63.200 -0.136 0.000 0.818 6103 S HN 0.282 nan 8.310 nan 0.000 0.472 6104 Y N 0.772 121.123 120.300 0.086 0.000 2.181 6104 Y HA -0.039 4.511 4.550 0.000 0.000 0.288 6104 Y C 2.100 178.102 175.900 0.171 0.000 1.146 6104 Y CA -0.144 58.012 58.100 0.093 0.000 1.164 6104 Y CB -1.396 37.078 38.460 0.022 0.000 0.982 6104 Y HN 0.330 nan 8.280 nan 0.000 0.515 6105 F N 0.809 120.904 119.950 0.241 0.000 2.091 6105 F HA -0.253 4.275 4.527 0.000 0.000 0.299 6105 F C 2.276 178.227 175.800 0.253 0.000 1.103 6105 F CA 1.664 59.783 58.000 0.199 0.000 1.228 6105 F CB -0.725 38.352 39.000 0.128 0.000 0.984 6105 F HN -0.036 nan 8.300 nan 0.000 0.477 6106 A N 0.559 123.359 122.820 -0.033 0.000 1.873 6106 A HA 0.020 4.340 4.320 0.000 0.000 0.215 6106 A C 2.438 180.057 177.584 0.058 0.000 1.186 6106 A CA 1.822 53.822 52.037 -0.062 0.000 0.616 6106 A CB -1.639 17.374 19.000 0.021 0.000 0.823 6106 A HN 0.577 nan 8.150 nan 0.000 0.442 6107 A N -0.393 122.487 122.820 0.101 0.000 1.972 6107 A HA -0.030 4.290 4.320 0.000 0.000 0.219 6107 A C 2.071 179.708 177.584 0.088 0.000 1.169 6107 A CA 1.553 53.657 52.037 0.112 0.000 0.635 6107 A CB -0.517 18.578 19.000 0.159 0.000 0.810 6107 A HN 0.506 nan 8.150 nan 0.000 0.446 6108 I N -0.699 119.923 120.570 0.087 0.000 2.584 6108 I HA -0.083 4.087 4.170 0.000 0.000 0.255 6108 I C 1.414 177.514 176.117 -0.028 0.000 1.145 6108 I CA 0.726 62.072 61.300 0.078 0.000 1.462 6108 I CB -0.100 37.999 38.000 0.165 0.000 1.102 6108 I HN 0.285 nan 8.210 nan 0.000 0.433 6109 N N -0.247 118.358 118.700 -0.158 0.000 2.220 6109 N HA 0.183 4.923 4.740 0.000 0.000 0.195 6109 N C -0.400 174.661 175.510 -0.748 0.000 1.123 6109 N CA 0.303 53.098 53.050 -0.425 0.000 0.874 6109 N CB 1.064 39.205 38.487 -0.576 0.000 0.995 6109 N HN 0.107 nan 8.380 nan 0.000 0.498 6110 F N 0.907 120.754 119.950 -0.171 0.000 2.551 6110 F HA 0.446 4.973 4.527 0.000 0.000 0.316 6110 F C 0.491 176.253 175.800 -0.063 0.000 1.089 6110 F CA -0.966 56.963 58.000 -0.120 0.000 0.915 6110 F CB 1.679 40.590 39.000 -0.149 0.000 1.186 6110 F HN -0.464 nan 8.300 nan 0.000 0.456 6111 R N 0.534 121.099 120.500 0.110 0.000 2.459 6111 R HA 0.524 4.864 4.340 0.000 0.000 0.281 6111 R C 0.477 176.824 176.300 0.077 0.000 1.050 6111 R CA -0.197 55.942 56.100 0.066 0.000 1.055 6111 R CB 0.882 31.203 30.300 0.036 0.000 1.045 6111 R HN 0.943 nan 8.270 nan 0.000 0.495 6112 G N 0.836 109.668 108.800 0.053 0.000 2.350 6112 G HA2 -0.221 3.739 3.960 0.000 0.000 0.298 6112 G HA3 -0.221 3.739 3.960 0.000 0.000 0.298 6112 G C -0.038 174.887 174.900 0.043 0.000 1.037 6112 G CA 0.472 45.597 45.100 0.042 0.000 1.074 6112 G HN 0.487 nan 8.290 nan 0.000 0.511 6113 V N -2.795 117.150 119.914 0.051 0.000 2.815 6113 V HA 0.887 5.007 4.120 0.000 0.000 0.314 6113 V C -0.190 175.928 176.094 0.040 0.000 1.064 6113 V CA -0.975 61.350 62.300 0.042 0.000 0.952 6113 V CB 2.535 34.388 31.823 0.049 0.000 1.020 6113 V HN 0.245 nan 8.190 nan 0.000 0.439 6114 D N 3.535 123.955 120.400 0.033 0.000 2.441 6114 D HA 0.466 5.106 4.640 0.000 0.000 0.287 6114 D C -2.634 173.687 176.300 0.035 0.000 1.198 6114 D CA -1.685 52.336 54.000 0.034 0.000 0.894 6114 D CB 1.297 42.113 40.800 0.027 0.000 1.070 6114 D HN 0.567 nan 8.370 nan 0.000 0.499 6115 P HA 0.411 nan 4.420 nan 0.000 0.279 6115 P C 0.022 177.336 177.300 0.023 0.000 1.239 6115 P CA -0.379 62.744 63.100 0.038 0.000 0.789 6115 P CB 1.718 33.448 31.700 0.051 0.000 0.933 6116 G N 1.007 109.806 108.800 -0.001 0.000 2.643 6116 G HA2 0.529 4.489 3.960 0.000 0.000 0.305 6116 G HA3 0.529 4.489 3.960 0.000 0.000 0.305 6116 G C -1.105 173.742 174.900 -0.089 0.000 1.387 6116 G CA -0.394 44.689 45.100 -0.029 0.000 0.982 6116 G HN 0.352 nan 8.290 nan 0.000 0.501 6117 T N 1.944 116.408 114.554 -0.151 0.000 2.779 6117 T HA 0.662 5.013 4.350 0.000 0.000 0.280 6117 T C -0.384 174.134 174.700 -0.302 0.000 0.987 6117 T CA -0.154 61.742 62.100 -0.340 0.000 0.966 6117 T CB 1.239 69.672 68.868 -0.724 0.000 0.933 6117 T HN 0.292 nan 8.240 nan 0.000 0.442 6118 L N 1.323 122.374 121.223 -0.288 0.000 2.322 6118 L HA 0.514 4.854 4.340 0.000 0.000 0.252 6118 L C 1.630 178.335 176.870 -0.275 0.000 1.055 6118 L CA -0.771 53.938 54.840 -0.217 0.000 0.849 6118 L CB 1.285 43.264 42.059 -0.133 0.000 1.446 6118 L HN 0.650 nan 8.230 nan 0.000 0.416 6119 S N -0.816 114.744 115.700 -0.235 0.000 2.368 6119 S HA -0.048 4.422 4.470 0.000 0.000 0.224 6119 S C 1.324 175.451 174.600 -0.788 0.000 1.029 6119 S CA 0.934 58.924 58.200 -0.350 0.000 0.988 6119 S CB -0.582 62.526 63.200 -0.153 0.000 0.838 6119 S HN 0.831 nan 8.310 nan 0.000 0.462 6120 G N 1.592 110.029 108.800 -0.605 0.000 3.159 6120 G HA2 0.430 4.390 3.960 0.000 0.000 0.232 6120 G HA3 0.430 4.390 3.960 0.000 0.000 0.232 6120 G C 0.235 175.028 174.900 -0.179 0.000 1.116 6120 G CA -0.698 44.074 45.100 -0.548 0.000 0.767 6120 G HN 0.709 nan 8.290 nan 0.000 0.547 6121 R N -0.847 119.555 120.500 -0.164 0.000 2.594 6121 R HA 0.605 4.945 4.340 0.000 0.000 0.265 6121 R C -1.915 174.334 176.300 -0.085 0.000 1.070 6121 R CA -0.920 55.138 56.100 -0.069 0.000 0.909 6121 R CB 1.154 31.432 30.300 -0.037 0.000 1.243 6121 R HN -0.026 nan 8.270 nan 0.000 0.455 6122 Q N 3.283 123.074 119.800 -0.015 0.000 2.347 6122 Q HA 0.539 4.879 4.340 0.000 0.000 0.271 6122 Q C -1.621 174.421 176.000 0.071 0.000 1.064 6122 Q CA -0.838 54.956 55.803 -0.015 0.000 0.800 6122 Q CB 2.536 31.257 28.738 -0.028 0.000 1.304 6122 Q HN 0.837 nan 8.270 nan 0.000 0.438 6123 I N 2.400 122.998 120.570 0.046 0.000 2.647 6123 I HA 0.499 4.669 4.170 0.000 0.000 0.295 6123 I C -1.484 174.684 176.117 0.086 0.000 1.078 6123 I CA -0.862 60.489 61.300 0.085 0.000 1.048 6123 I CB 2.221 40.241 38.000 0.033 0.000 1.239 6123 I HN 0.368 nan 8.210 nan 0.000 0.421 6124 V N 6.726 126.710 119.914 0.116 0.000 2.350 6124 V HA 0.386 4.506 4.120 0.000 0.000 0.285 6124 V C -0.377 175.769 176.094 0.087 0.000 1.014 6124 V CA -0.585 61.761 62.300 0.076 0.000 0.831 6124 V CB 1.400 33.248 31.823 0.043 0.000 1.000 6124 V HN 0.669 nan 8.190 nan 0.000 0.433 6125 E N 3.389 123.629 120.200 0.067 0.000 2.227 6125 E HA 0.780 5.130 4.350 0.000 0.000 0.282 6125 E C -0.174 176.439 176.600 0.022 0.000 1.015 6125 E CA -0.234 56.202 56.400 0.061 0.000 0.823 6125 E CB 2.164 31.890 29.700 0.044 0.000 1.081 6125 E HN 0.831 nan 8.360 nan 0.000 0.396 6126 A N 2.955 125.776 122.820 0.002 0.000 2.586 6126 A HA 0.430 4.751 4.320 0.000 0.000 0.290 6126 A C -0.918 176.643 177.584 -0.038 0.000 1.086 6126 A CA -0.956 51.072 52.037 -0.015 0.000 0.665 6126 A CB 1.049 20.035 19.000 -0.023 0.000 1.279 6126 A HN 0.453 nan 8.150 nan 0.000 0.423 6127 R N 0.884 121.357 120.500 -0.045 0.000 2.566 6127 R HA -0.047 4.293 4.340 0.000 0.000 0.273 6127 R C 1.116 177.350 176.300 -0.111 0.000 0.981 6127 R CA 0.637 56.690 56.100 -0.079 0.000 1.091 6127 R CB 0.125 30.375 30.300 -0.084 0.000 0.924 6127 R HN 1.017 nan 8.270 nan 0.000 0.411 6128 E N 3.649 123.775 120.200 -0.124 0.000 2.070 6128 E HA -0.284 4.066 4.350 0.000 0.000 0.197 6128 E C 1.831 178.352 176.600 -0.132 0.000 1.004 6128 E CA 1.946 58.296 56.400 -0.084 0.000 0.805 6128 E CB 0.119 29.845 29.700 0.043 0.000 0.744 6128 E HN 0.587 nan 8.360 nan 0.000 0.451 6129 R N 0.160 120.397 120.500 -0.438 0.000 2.115 6129 R HA -0.112 4.228 4.340 0.000 0.000 0.226 6129 R C 1.444 177.638 176.300 -0.176 0.000 1.100 6129 R CA 1.590 57.398 56.100 -0.486 0.000 0.980 6129 R CB -0.256 29.479 30.300 -0.941 0.000 0.875 6129 R HN 0.117 nan 8.270 nan 0.000 0.445 6130 D N 1.242 121.557 120.400 -0.141 0.000 2.117 6130 D HA -0.186 4.454 4.640 0.000 0.000 0.197 6130 D C 1.996 178.266 176.300 -0.051 0.000 0.987 6130 D CA 1.191 55.159 54.000 -0.053 0.000 0.829 6130 D CB -0.309 40.472 40.800 -0.032 0.000 0.961 6130 D HN 0.188 nan 8.370 nan 0.000 0.460 6131 M N 1.143 120.704 119.600 -0.065 0.000 2.149 6131 M HA -0.171 4.309 4.480 0.000 0.000 0.261 6131 M C 1.568 177.836 176.300 -0.054 0.000 1.064 6131 M CA 1.593 56.852 55.300 -0.069 0.000 1.102 6131 M CB -0.360 32.212 32.600 -0.048 0.000 1.369 6131 M HN -0.009 nan 8.290 nan 0.000 0.408 6132 E N -0.313 119.884 120.200 -0.005 0.000 2.150 6132 E HA -0.218 4.132 4.350 0.000 0.000 0.193 6132 E C 2.020 178.636 176.600 0.027 0.000 0.985 6132 E CA 1.101 57.521 56.400 0.035 0.000 0.814 6132 E CB -0.150 29.614 29.700 0.106 0.000 0.752 6132 E HN 0.690 nan 8.360 nan 0.000 0.466 6133 Q N 0.047 119.861 119.800 0.022 0.000 2.050 6133 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 6133 Q C 2.463 178.468 176.000 0.009 0.000 0.980 6133 Q CA 1.388 57.236 55.803 0.074 0.000 0.840 6133 Q CB -0.302 28.525 28.738 0.147 0.000 0.898 6133 Q HN 0.328 nan 8.270 nan 0.000 0.424 6134 C N 0.277 119.400 119.300 -0.295 0.000 2.446 6134 C HA -0.056 4.404 4.460 0.000 0.000 0.277 6134 C C 2.842 177.717 174.990 -0.191 0.000 1.275 6134 C CA 0.971 59.534 59.018 -0.759 0.000 1.727 6134 C CB -1.030 26.091 27.740 -1.031 0.000 2.010 6134 C HN 0.589 nan 8.230 nan 0.000 0.486 6135 A N 0.261 123.042 122.820 -0.065 0.000 1.908 6135 A HA -0.227 4.093 4.320 0.000 0.000 0.218 6135 A C 2.316 179.964 177.584 0.106 0.000 1.181 6135 A CA 2.119 54.195 52.037 0.066 0.000 0.627 6135 A CB -0.809 18.211 19.000 0.032 0.000 0.818 6135 A HN 0.773 nan 8.150 nan 0.000 0.445 6136 K N -0.316 120.131 120.400 0.079 0.000 2.032 6136 K HA -0.122 4.198 4.320 0.000 0.000 0.209 6136 K C 1.833 178.501 176.600 0.114 0.000 1.048 6136 K CA 1.766 58.109 56.287 0.094 0.000 0.927 6136 K CB -0.293 32.260 32.500 0.089 0.000 0.712 6136 K HN 0.258 nan 8.250 nan 0.000 0.441 6137 V N 1.573 121.577 119.914 0.151 0.000 2.343 6137 V HA -0.248 3.872 4.120 0.000 0.000 0.247 6137 V C 2.341 178.474 176.094 0.065 0.000 1.051 6137 V CA 1.757 64.164 62.300 0.178 0.000 1.036 6137 V CB -0.494 31.576 31.823 0.413 0.000 0.654 6137 V HN 0.419 nan 8.190 nan 0.000 0.451 6138 Q N -1.107 118.733 119.800 0.067 0.000 2.167 6138 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 6138 Q C 2.269 178.254 176.000 -0.024 0.000 0.970 6138 Q CA 1.188 56.938 55.803 -0.089 0.000 0.855 6138 Q CB -0.157 28.583 28.738 0.003 0.000 0.911 6138 Q HN 0.484 nan 8.270 nan 0.000 0.438 6139 M N -0.026 119.670 119.600 0.160 0.000 2.288 6139 M HA -0.063 4.417 4.480 0.000 0.000 0.266 6139 M C 1.350 177.781 176.300 0.218 0.000 1.072 6139 M CA 1.371 56.833 55.300 0.271 0.000 1.132 6139 M CB -0.287 32.447 32.600 0.223 0.000 1.386 6139 M HN 0.201 nan 8.290 nan 0.000 0.432 6140 E N -0.300 119.959 120.200 0.098 0.000 2.307 6140 E HA 0.008 4.358 4.350 0.000 0.000 0.195 6140 E C 0.875 177.484 176.600 0.016 0.000 0.975 6140 E CA 0.430 56.870 56.400 0.066 0.000 0.878 6140 E CB 0.461 30.193 29.700 0.053 0.000 0.845 6140 E HN 0.472 nan 8.360 nan 0.000 0.488 6141 T N -0.986 113.542 114.554 -0.044 0.000 2.884 6141 T HA 0.094 4.444 4.350 0.000 0.000 0.277 6141 T C 1.122 175.729 174.700 -0.156 0.000 0.976 6141 T CA -0.597 61.443 62.100 -0.100 0.000 0.956 6141 T CB 1.316 70.096 68.868 -0.147 0.000 1.113 6141 T HN 0.090 nan 8.240 nan 0.000 0.554 6142 E N -0.132 119.968 120.200 -0.166 0.000 2.409 6142 E HA -0.074 4.276 4.350 0.000 0.000 0.198 6142 E C 1.859 178.314 176.600 -0.241 0.000 1.024 6142 E CA 0.410 56.715 56.400 -0.158 0.000 0.861 6142 E CB -0.504 29.135 29.700 -0.101 0.000 0.788 6142 E HN 0.689 nan 8.360 nan 0.000 0.521 6143 I N 1.274 121.590 120.570 -0.423 0.000 2.567 6143 I HA -0.108 4.062 4.170 0.000 0.000 0.257 6143 I C -0.015 175.836 176.117 -0.442 0.000 1.184 6143 I CA 0.950 61.892 61.300 -0.597 0.000 1.451 6143 I CB 0.284 37.742 38.000 -0.902 0.000 1.089 6143 I HN -0.013 nan 8.210 nan 0.000 0.441 6144 T N 0.214 114.519 114.554 -0.415 0.000 2.812 6144 T HA 0.241 4.591 4.350 0.000 0.000 0.282 6144 T C -1.064 173.407 174.700 -0.382 0.000 0.990 6144 T CA -0.454 61.366 62.100 -0.467 0.000 0.960 6144 T CB 1.652 70.147 68.868 -0.621 0.000 0.948 6144 T HN 0.077 nan 8.240 nan 0.000 0.438 6145 D N 0.375 120.594 120.400 -0.302 0.000 2.193 6145 D HA 0.220 4.860 4.640 0.000 0.000 0.244 6145 D C 0.799 176.960 176.300 -0.231 0.000 1.064 6145 D CA -0.544 53.332 54.000 -0.206 0.000 0.845 6145 D CB 0.742 41.488 40.800 -0.090 0.000 1.148 6145 D HN 0.522 nan 8.370 nan 0.000 0.464 6146 H N 2.801 121.879 119.070 0.013 0.000 2.539 6146 H HA 0.195 4.751 4.556 0.000 0.000 0.267 6146 H C 1.004 176.350 175.328 0.031 0.000 0.982 6146 H CA 0.580 56.650 56.048 0.036 0.000 1.146 6146 H CB 0.656 30.438 29.762 0.033 0.000 1.382 6146 H HN 0.493 nan 8.280 nan 0.000 0.577 6147 A N 0.506 123.379 122.820 0.089 0.000 1.901 6147 A HA 0.073 4.393 4.320 0.000 0.000 0.210 6147 A C 2.231 179.847 177.584 0.055 0.000 1.208 6147 A CA 0.142 52.219 52.037 0.065 0.000 0.644 6147 A CB -0.362 18.666 19.000 0.047 0.000 0.863 6147 A HN 0.237 nan 8.150 nan 0.000 0.454 6148 L N -0.575 120.669 121.223 0.034 0.000 2.492 6148 L HA 0.233 4.573 4.340 0.000 0.000 0.223 6148 L C 1.083 177.977 176.870 0.041 0.000 1.132 6148 L CA 0.365 55.230 54.840 0.042 0.000 0.850 6148 L CB -0.220 41.854 42.059 0.026 0.000 0.966 6148 L HN 0.420 nan 8.230 nan 0.000 0.454 6149 A N -0.703 122.133 122.820 0.026 0.000 2.386 6149 A HA 0.831 5.151 4.320 0.000 0.000 0.308 6149 A C -0.355 177.303 177.584 0.123 0.000 1.128 6149 A CA -0.108 51.964 52.037 0.059 0.000 0.789 6149 A CB 1.503 20.494 19.000 -0.014 0.000 1.325 6149 A HN 0.054 nan 8.150 nan 0.000 0.437 6150 G N -0.859 108.050 108.800 0.181 0.000 2.746 6150 G HA2 0.546 4.506 3.960 0.000 0.000 0.297 6150 G HA3 0.546 4.506 3.960 0.000 0.000 0.297 6150 G C -1.343 173.621 174.900 0.108 0.000 1.426 6150 G CA -0.426 44.765 45.100 0.153 0.000 0.989 6150 G HN 0.981 nan 8.290 nan 0.000 0.520 6151 V N 1.782 121.692 119.914 -0.007 0.000 2.405 6151 V HA 0.461 4.581 4.120 0.000 0.000 0.264 6151 V C 0.299 176.307 176.094 -0.144 0.000 1.048 6151 V CA -0.176 61.964 62.300 -0.267 0.000 0.966 6151 V CB 0.077 31.705 31.823 -0.325 0.000 1.015 6151 V HN 0.674 nan 8.190 nan 0.000 0.477 6152 R N 3.345 123.777 120.500 -0.114 0.000 2.539 6152 R HA 0.400 4.740 4.340 0.000 0.000 0.295 6152 R C 0.981 177.298 176.300 0.029 0.000 1.138 6152 R CA -0.359 55.724 56.100 -0.028 0.000 0.936 6152 R CB 1.725 32.024 30.300 -0.002 0.000 1.182 6152 R HN 0.767 nan 8.270 nan 0.000 0.459 6153 G N 1.008 109.865 108.800 0.095 0.000 2.777 6153 G HA2 0.323 4.283 3.960 0.000 0.000 0.211 6153 G HA3 0.323 4.283 3.960 0.000 0.000 0.211 6153 G C 0.221 175.146 174.900 0.042 0.000 1.149 6153 G CA 0.681 45.903 45.100 0.204 0.000 0.785 6153 G HN 0.618 nan 8.290 nan 0.000 0.536 6154 A N -1.740 121.098 122.820 0.030 0.000 2.608 6154 A HA 0.591 4.911 4.320 0.000 0.000 0.292 6154 A C 0.168 177.762 177.584 0.016 0.000 1.066 6154 A CA 0.147 52.190 52.037 0.009 0.000 0.676 6154 A CB 0.129 19.133 19.000 0.007 0.000 1.277 6154 A HN 0.757 nan 8.150 nan 0.000 0.413 6155 T N 0.259 114.827 114.554 0.024 0.000 3.501 6155 T HA -0.130 4.220 4.350 0.000 0.000 0.411 6155 T C 0.931 175.671 174.700 0.066 0.000 0.766 6155 T CA 1.254 63.380 62.100 0.042 0.000 2.129 6155 T CB -2.279 66.602 68.868 0.022 0.000 1.711 6155 T HN 2.097 nan 8.240 nan 0.000 0.712 6156 V N -1.989 117.982 119.914 0.096 0.000 3.506 6156 V HA 0.216 4.336 4.120 0.000 0.000 0.263 6156 V C 1.128 177.335 176.094 0.188 0.000 1.203 6156 V CA 0.721 63.085 62.300 0.106 0.000 1.133 6156 V CB -0.456 31.413 31.823 0.077 0.000 0.802 6156 V HN 0.804 nan 8.190 nan 0.000 0.459 6157 H N 1.662 120.813 119.070 0.135 0.000 3.209 6157 H HA 0.345 4.901 4.556 0.000 0.000 0.297 6157 H C 1.155 176.652 175.328 0.281 0.000 0.936 6157 H CA 1.708 57.884 56.048 0.214 0.000 1.392 6157 H CB 0.195 30.099 29.762 0.238 0.000 1.349 6157 H HN 0.537 nan 8.280 nan 0.000 0.568 6158 G N 3.714 112.491 108.800 -0.038 0.000 3.751 6158 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 6158 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 6158 G C 1.288 176.198 174.900 0.016 0.000 0.911 6158 G CA 0.208 45.339 45.100 0.052 0.000 0.869 6158 G HN 0.806 nan 8.290 nan 0.000 0.462 6159 H N 1.995 121.051 119.070 -0.023 0.000 2.422 6159 H HA -0.006 4.550 4.556 0.000 0.000 0.298 6159 H C 2.000 177.313 175.328 -0.025 0.000 1.098 6159 H CA 2.165 58.207 56.048 -0.009 0.000 1.315 6159 H CB -0.317 29.434 29.762 -0.018 0.000 1.382 6159 H HN 0.533 nan 8.280 nan 0.000 0.523 6160 S N 0.236 115.498 115.700 -0.729 0.000 2.539 6160 S HA 0.275 4.745 4.470 0.000 0.000 0.221 6160 S C 0.618 175.103 174.600 -0.192 0.000 0.987 6160 S CA -0.364 57.517 58.200 -0.531 0.000 0.929 6160 S CB 0.078 62.861 63.200 -0.695 0.000 0.832 6160 S HN 0.098 nan 8.310 nan 0.000 0.492 6161 V N 3.007 122.822 119.914 -0.165 0.000 2.775 6161 V HA 0.276 4.396 4.120 0.000 0.000 0.299 6161 V C 0.799 176.931 176.094 0.063 0.000 1.062 6161 V CA -0.767 61.479 62.300 -0.090 0.000 1.063 6161 V CB 0.505 32.225 31.823 -0.171 0.000 0.994 6161 V HN 0.402 nan 8.190 nan 0.000 0.483 6162 R N 2.884 123.383 120.500 -0.002 0.000 2.638 6162 R HA 0.098 4.438 4.340 0.000 0.000 0.268 6162 R C -0.215 176.018 176.300 -0.111 0.000 1.006 6162 R CA -0.068 55.963 56.100 -0.116 0.000 1.088 6162 R CB 0.045 30.267 30.300 -0.130 0.000 0.950 6162 R HN 0.516 nan 8.270 nan 0.000 0.419 6163 L N 3.005 124.089 121.223 -0.233 0.000 2.467 6163 L HA -0.031 4.309 4.340 0.000 0.000 0.270 6163 L C 0.989 177.821 176.870 -0.062 0.000 1.205 6163 L CA 0.216 54.994 54.840 -0.102 0.000 0.828 6163 L CB 0.346 42.317 42.059 -0.147 0.000 1.101 6163 L HN 0.528 nan 8.230 nan 0.000 0.479 6164 Q N 1.196 120.998 119.800 0.005 0.000 2.492 6164 Q HA -0.012 4.328 4.340 0.000 0.000 0.238 6164 Q C 0.824 176.814 176.000 -0.016 0.000 1.045 6164 Q CA -0.196 55.614 55.803 0.012 0.000 0.934 6164 Q CB 0.643 29.410 28.738 0.049 0.000 1.276 6164 Q HN 0.508 nan 8.270 nan 0.000 0.521 6165 E N 0.919 121.111 120.200 -0.013 0.000 2.265 6165 E HA -0.189 4.161 4.350 0.000 0.000 0.196 6165 E C 0.566 177.158 176.600 -0.013 0.000 0.996 6165 E CA 1.124 57.512 56.400 -0.020 0.000 0.832 6165 E CB 0.083 29.775 29.700 -0.014 0.000 0.756 6165 E HN 0.578 nan 8.360 nan 0.000 0.491 6166 D N -0.882 119.517 120.400 -0.001 0.000 2.328 6166 D HA 0.044 4.684 4.640 0.000 0.000 0.221 6166 D C 1.224 177.528 176.300 0.005 0.000 1.072 6166 D CA 0.605 54.607 54.000 0.003 0.000 0.850 6166 D CB 0.261 41.067 40.800 0.010 0.000 0.922 6166 D HN 0.166 nan 8.370 nan 0.000 0.516 6167 G N -0.580 108.220 108.800 0.000 0.000 2.176 6167 G HA2 -0.252 3.708 3.960 0.000 0.000 0.253 6167 G HA3 -0.252 3.708 3.960 0.000 0.000 0.253 6167 G C 0.096 175.010 174.900 0.023 0.000 0.979 6167 G CA 0.241 45.343 45.100 0.004 0.000 0.641 6167 G HN 0.388 nan 8.290 nan 0.000 0.530 6168 V N 2.072 122.005 119.914 0.031 0.000 2.509 6168 V HA 0.607 4.727 4.120 0.000 0.000 0.284 6168 V C 0.943 177.077 176.094 0.066 0.000 1.047 6168 V CA -0.236 62.092 62.300 0.046 0.000 0.952 6168 V CB 1.745 33.592 31.823 0.041 0.000 0.988 6168 V HN 0.487 nan 8.190 nan 0.000 0.469 6169 M N 5.134 124.782 119.600 0.080 0.000 2.219 6169 M HA 0.329 4.809 4.480 0.000 0.000 0.353 6169 M C -0.294 176.085 176.300 0.132 0.000 1.304 6169 M CA -0.374 54.995 55.300 0.114 0.000 1.115 6169 M CB 0.351 33.019 32.600 0.113 0.000 1.664 6169 M HN 0.660 nan 8.290 nan 0.000 0.459 6170 F N 5.071 125.034 119.950 0.022 0.000 2.623 6170 F HA 0.004 4.531 4.527 0.000 0.000 0.386 6170 F C -0.404 175.423 175.800 0.045 0.000 1.068 6170 F CA 0.734 58.751 58.000 0.028 0.000 1.265 6170 F CB 0.180 39.195 39.000 0.024 0.000 1.026 6170 F HN 0.576 nan 8.300 nan 0.000 0.568 6171 D N 7.036 126.995 120.400 -0.736 0.000 2.481 6171 D HA 0.105 4.745 4.640 0.000 0.000 0.246 6171 D C 0.772 176.440 176.300 -1.054 0.000 1.109 6171 D CA -0.506 53.070 54.000 -0.706 0.000 0.845 6171 D CB 1.481 42.107 40.800 -0.289 0.000 1.160 6171 D HN 0.814 nan 8.370 nan 0.000 0.534 6172 M N 3.562 122.579 119.600 -0.971 0.000 2.202 6172 M HA -0.092 4.388 4.480 0.000 0.000 0.262 6172 M C 0.432 176.603 176.300 -0.216 0.000 1.063 6172 M CA 1.556 56.578 55.300 -0.462 0.000 1.097 6172 M CB 0.240 32.817 32.600 -0.038 0.000 1.382 6172 M HN 0.467 nan 8.290 nan 0.000 0.413 6173 L N -0.703 120.405 121.223 -0.191 0.000 2.728 6173 L HA 0.147 4.487 4.340 0.000 0.000 0.238 6173 L C 0.079 176.888 176.870 -0.103 0.000 1.143 6173 L CA -0.305 54.473 54.840 -0.103 0.000 0.937 6173 L CB -0.272 41.747 42.059 -0.067 0.000 1.225 6173 L HN 0.261 nan 8.230 nan 0.000 0.507 6174 D N 1.510 121.821 120.400 -0.147 0.000 2.735 6174 D HA -0.215 4.425 4.640 0.000 0.000 0.235 6174 D C 1.160 177.417 176.300 -0.071 0.000 1.175 6174 D CA 0.551 54.487 54.000 -0.106 0.000 0.683 6174 D CB -0.166 40.591 40.800 -0.071 0.000 1.008 6174 D HN 0.271 nan 8.370 nan 0.000 0.416 6175 R N -0.125 120.332 120.500 -0.072 0.000 2.161 6175 R HA 0.076 4.417 4.340 0.000 0.000 0.213 6175 R C 0.797 177.071 176.300 -0.043 0.000 1.055 6175 R CA 1.171 57.238 56.100 -0.055 0.000 0.996 6175 R CB 0.248 30.515 30.300 -0.055 0.000 0.901 6175 R HN 0.444 nan 8.270 nan 0.000 0.456 6176 R N 0.198 120.677 120.500 -0.035 0.000 2.707 6176 R HA 0.426 4.766 4.340 0.000 0.000 0.272 6176 R C -1.306 174.987 176.300 -0.011 0.000 1.011 6176 R CA -1.051 55.038 56.100 -0.019 0.000 0.893 6176 R CB 1.148 31.449 30.300 0.001 0.000 1.233 6176 R HN -0.039 nan 8.270 nan 0.000 0.464 6177 R N 1.438 121.935 120.500 -0.004 0.000 2.712 6177 R HA 0.382 4.722 4.340 0.000 0.000 0.272 6177 R C -1.365 174.938 176.300 0.006 0.000 1.032 6177 R CA -1.075 55.026 56.100 0.003 0.000 0.874 6177 R CB 1.113 31.411 30.300 -0.004 0.000 1.256 6177 R HN 0.513 nan 8.270 nan 0.000 0.468 6178 L N 1.951 123.181 121.223 0.012 0.000 2.418 6178 L HA 0.211 4.551 4.340 0.000 0.000 0.274 6178 L C -0.431 176.442 176.870 0.004 0.000 1.135 6178 L CA 0.648 55.494 54.840 0.010 0.000 0.870 6178 L CB 0.577 42.644 42.059 0.013 0.000 1.154 6178 L HN 0.664 nan 8.230 nan 0.000 0.462 6179 E N 4.372 124.572 120.200 0.000 0.000 2.255 6179 E HA 0.182 4.532 4.350 0.000 0.000 0.256 6179 E C -0.555 176.043 176.600 -0.003 0.000 0.887 6179 E CA -0.632 55.767 56.400 -0.003 0.000 0.782 6179 E CB 1.156 30.852 29.700 -0.007 0.000 1.214 6179 E HN 0.540 nan 8.360 nan 0.000 0.417 6180 N N 2.036 120.735 118.700 -0.002 0.000 2.740 6180 N HA -0.225 4.515 4.740 0.000 0.000 0.248 6180 N C 0.630 176.140 175.510 -0.001 0.000 1.062 6180 N CA 1.435 54.483 53.050 -0.002 0.000 0.704 6180 N CB -0.992 37.493 38.487 -0.004 0.000 0.968 6180 N HN 0.990 nan 8.380 nan 0.000 0.547 6181 G N -2.636 106.165 108.800 0.002 0.000 2.179 6181 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 6181 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 6181 G C 0.201 175.104 174.900 0.005 0.000 0.977 6181 G CA 0.712 45.814 45.100 0.004 0.000 0.641 6181 G HN 0.795 nan 8.290 nan 0.000 0.533 6182 T N 0.503 115.059 114.554 0.003 0.000 2.893 6182 T HA 0.610 4.960 4.350 0.000 0.000 0.291 6182 T C 0.044 174.746 174.700 0.003 0.000 1.028 6182 T CA -0.731 61.371 62.100 0.003 0.000 0.995 6182 T CB 0.796 69.661 68.868 -0.005 0.000 1.051 6182 T HN 0.239 nan 8.240 nan 0.000 0.470 6183 I N 5.175 125.749 120.570 0.008 0.000 2.452 6183 I HA 0.271 4.441 4.170 0.000 0.000 0.287 6183 I C 0.005 176.108 176.117 -0.023 0.000 1.079 6183 I CA -0.353 60.952 61.300 0.008 0.000 1.387 6183 I CB 0.471 38.497 38.000 0.044 0.000 1.404 6183 I HN 0.497 nan 8.210 nan 0.000 0.522 6184 I N 7.507 128.063 120.570 -0.022 0.000 2.404 6184 I HA 0.372 4.542 4.170 0.000 0.000 0.293 6184 I C 0.029 176.122 176.117 -0.039 0.000 0.992 6184 I CA -0.674 60.605 61.300 -0.036 0.000 1.149 6184 I CB 1.679 39.662 38.000 -0.028 0.000 1.315 6184 I HN 0.524 nan 8.210 nan 0.000 0.446 6185 M N 6.737 126.303 119.600 -0.057 0.000 2.125 6185 M HA 0.281 4.761 4.480 0.000 0.000 0.321 6185 M C -0.637 175.630 176.300 -0.056 0.000 0.983 6185 M CA -0.383 54.883 55.300 -0.056 0.000 0.934 6185 M CB 0.895 33.452 32.600 -0.071 0.000 1.542 6185 M HN 0.541 nan 8.290 nan 0.000 0.424 6186 D N 2.915 123.286 120.400 -0.049 0.000 2.479 6186 D HA 0.238 4.878 4.640 0.000 0.000 0.218 6186 D C -0.776 175.495 176.300 -0.048 0.000 1.177 6186 D CA -0.119 53.853 54.000 -0.046 0.000 0.830 6186 D CB 0.296 41.074 40.800 -0.037 0.000 1.014 6186 D HN 0.418 nan 8.370 nan 0.000 0.503 6187 K N 0.491 120.858 120.400 -0.054 0.000 2.443 6187 K HA 0.353 4.673 4.320 0.000 0.000 0.251 6187 K C -0.796 175.760 176.600 -0.073 0.000 0.972 6187 K CA -0.969 55.283 56.287 -0.058 0.000 0.833 6187 K CB 1.896 34.366 32.500 -0.051 0.000 1.317 6187 K HN -0.049 nan 8.250 nan 0.000 0.441 6188 D N -0.035 120.316 120.400 -0.082 0.000 2.414 6188 D HA -0.105 4.535 4.640 0.000 0.000 0.259 6188 D C 0.854 177.092 176.300 -0.104 0.000 1.269 6188 D CA -0.088 53.845 54.000 -0.112 0.000 1.028 6188 D CB 0.411 41.130 40.800 -0.135 0.000 1.093 6188 D HN 0.610 nan 8.370 nan 0.000 0.545 6189 Q N -1.023 118.696 119.800 -0.135 0.000 2.436 6189 Q HA -0.058 4.282 4.340 0.000 0.000 0.209 6189 Q C 0.972 176.952 176.000 -0.034 0.000 0.965 6189 Q CA 1.019 56.761 55.803 -0.101 0.000 0.910 6189 Q CB -0.316 28.335 28.738 -0.146 0.000 0.980 6189 Q HN 0.364 nan 8.270 nan 0.000 0.491 6190 V N -3.768 116.130 119.914 -0.027 0.000 3.043 6190 V HA 0.711 4.831 4.120 0.000 0.000 0.357 6190 V C 0.748 176.831 176.094 -0.017 0.000 1.372 6190 V CA -0.189 62.112 62.300 0.003 0.000 1.214 6190 V CB -0.238 31.607 31.823 0.037 0.000 1.224 6190 V HN 0.320 nan 8.190 nan 0.000 0.507 6191 A N 0.183 122.982 122.820 -0.035 0.000 2.887 6191 A HA -0.197 4.123 4.320 0.000 0.000 0.257 6191 A C 0.132 177.696 177.584 -0.034 0.000 1.372 6191 A CA 1.289 53.303 52.037 -0.037 0.000 0.879 6191 A CB -2.591 16.390 19.000 -0.032 0.000 1.082 6191 A HN 0.735 nan 8.150 nan 0.000 0.703 6192 I N 0.621 121.169 120.570 -0.038 0.000 2.371 6192 I HA 0.277 4.447 4.170 0.000 0.000 0.290 6192 I C -2.019 174.073 176.117 -0.042 0.000 1.028 6192 I CA -2.253 59.025 61.300 -0.035 0.000 1.345 6192 I CB 1.001 38.980 38.000 -0.035 0.000 1.407 6192 I HN 0.016 nan 8.210 nan 0.000 0.501 6193 P HA 0.053 nan 4.420 nan 0.000 0.264 6193 P C -0.515 176.760 177.300 -0.041 0.000 1.193 6193 P CA 0.146 63.224 63.100 -0.037 0.000 0.763 6193 P CB 0.407 32.089 31.700 -0.029 0.000 0.810 6194 L N 3.118 124.314 121.223 -0.045 0.000 2.395 6194 L HA 0.079 4.419 4.340 0.000 0.000 0.269 6194 L C 1.560 178.405 176.870 -0.042 0.000 1.133 6194 L CA -0.134 54.676 54.840 -0.049 0.000 0.812 6194 L CB 0.559 42.585 42.059 -0.056 0.000 1.125 6194 L HN 0.461 nan 8.230 nan 0.000 0.452 6195 D N 0.647 121.022 120.400 -0.043 0.000 2.157 6195 D HA -0.193 4.447 4.640 0.000 0.000 0.191 6195 D C 0.686 176.965 176.300 -0.035 0.000 1.004 6195 D CA 1.459 55.436 54.000 -0.037 0.000 0.854 6195 D CB 0.065 40.841 40.800 -0.040 0.000 0.936 6195 D HN 0.268 nan 8.370 nan 0.000 0.446 6196 R N 0.300 120.776 120.500 -0.039 0.000 2.548 6196 R HA 0.186 4.526 4.340 0.000 0.000 0.280 6196 R C -1.215 175.060 176.300 -0.042 0.000 1.061 6196 R CA -0.845 55.233 56.100 -0.037 0.000 0.915 6196 R CB 1.515 31.793 30.300 -0.037 0.000 1.210 6196 R HN 0.140 nan 8.270 nan 0.000 0.442 6197 K N 1.460 121.837 120.400 -0.039 0.000 2.436 6197 K HA 0.219 4.539 4.320 0.000 0.000 0.275 6197 K C -0.272 176.299 176.600 -0.048 0.000 0.999 6197 K CA -0.435 55.827 56.287 -0.042 0.000 0.980 6197 K CB 0.667 33.146 32.500 -0.036 0.000 0.919 6197 K HN 0.064 nan 8.250 nan 0.000 0.484 6198 V N 2.625 122.504 119.914 -0.058 0.000 2.384 6198 V HA 0.057 4.177 4.120 0.000 0.000 0.287 6198 V C -0.393 175.655 176.094 -0.077 0.000 1.020 6198 V CA -0.818 61.441 62.300 -0.069 0.000 0.850 6198 V CB 1.301 33.073 31.823 -0.085 0.000 0.987 6198 V HN 0.814 nan 8.190 nan 0.000 0.436 6199 D N 4.534 124.893 120.400 -0.068 0.000 2.336 6199 D HA 0.218 4.858 4.640 0.000 0.000 0.249 6199 D C 0.441 176.682 176.300 -0.099 0.000 1.213 6199 D CA 0.056 54.016 54.000 -0.067 0.000 0.870 6199 D CB 1.346 42.120 40.800 -0.045 0.000 1.076 6199 D HN 0.482 nan 8.370 nan 0.000 0.483 6200 L N 3.306 124.450 121.223 -0.131 0.000 2.741 6200 L HA 0.309 4.649 4.340 0.000 0.000 0.237 6200 L C 1.252 178.069 176.870 -0.088 0.000 1.178 6200 L CA -0.184 54.519 54.840 -0.230 0.000 0.973 6200 L CB -0.316 41.446 42.059 -0.495 0.000 1.255 6200 L HN 0.607 nan 8.230 nan 0.000 0.498 6201 G N 0.773 109.552 108.800 -0.036 0.000 2.795 6201 G HA2 -0.212 3.748 3.960 0.000 0.000 0.664 6201 G HA3 -0.212 3.748 3.960 0.000 0.000 0.664 6201 G C -0.532 174.381 174.900 0.022 0.000 1.381 6201 G CA -0.866 44.236 45.100 0.003 0.000 0.853 6201 G HN 0.187 nan 8.290 nan 0.000 0.545 6202 K N 1.798 122.210 120.400 0.021 0.000 2.401 6202 K HA 0.326 4.646 4.320 0.000 0.000 0.278 6202 K C -1.605 175.015 176.600 0.034 0.000 1.018 6202 K CA -0.630 55.670 56.287 0.022 0.000 0.981 6202 K CB 0.630 33.138 32.500 0.013 0.000 0.933 6202 K HN 0.452 nan 8.250 nan 0.000 0.477 6203 P HA -0.010 nan 4.420 nan 0.000 0.272 6203 P C -0.367 176.944 177.300 0.018 0.000 1.223 6203 P CA -0.025 63.095 63.100 0.034 0.000 0.784 6203 P CB 0.571 32.291 31.700 0.032 0.000 0.923 6204 M N 0.967 120.572 119.600 0.010 0.000 2.248 6204 M HA 0.067 4.547 4.480 0.000 0.000 0.337 6204 M C 1.272 177.574 176.300 0.003 0.000 1.121 6204 M CA 0.152 55.452 55.300 0.000 0.000 1.155 6204 M CB 0.051 32.645 32.600 -0.010 0.000 1.514 6204 M HN 0.411 nan 8.290 nan 0.000 0.452 6205 S N 1.308 117.008 115.700 0.000 0.000 2.589 6205 S HA 0.104 4.574 4.470 0.000 0.000 0.265 6205 S C 0.941 175.541 174.600 0.001 0.000 1.342 6205 S CA -0.525 57.676 58.200 0.001 0.000 1.005 6205 S CB 0.936 64.136 63.200 -0.001 0.000 0.909 6205 S HN 0.699 nan 8.310 nan 0.000 0.555 6206 S N 1.240 116.942 115.700 0.003 0.000 2.400 6206 S HA -0.148 4.322 4.470 0.000 0.000 0.232 6206 S C 1.735 176.337 174.600 0.004 0.000 1.025 6206 S CA 1.689 59.893 58.200 0.007 0.000 0.993 6206 S CB -0.557 62.647 63.200 0.008 0.000 0.808 6206 S HN 0.839 nan 8.310 nan 0.000 0.478 6207 E N 0.923 121.123 120.200 0.000 0.000 2.047 6207 E HA -0.169 4.181 4.350 0.000 0.000 0.191 6207 E C 2.209 178.803 176.600 -0.009 0.000 0.987 6207 E CA 1.047 57.445 56.400 -0.003 0.000 0.799 6207 E CB -0.109 29.589 29.700 -0.003 0.000 0.752 6207 E HN 0.577 nan 8.360 nan 0.000 0.449 6208 E N 0.590 120.784 120.200 -0.010 0.000 2.106 6208 E HA -0.171 4.179 4.350 0.000 0.000 0.192 6208 E C 2.056 178.642 176.600 -0.023 0.000 0.984 6208 E CA 0.837 57.227 56.400 -0.016 0.000 0.806 6208 E CB -0.040 29.651 29.700 -0.014 0.000 0.750 6208 E HN 0.223 nan 8.360 nan 0.000 0.458 6209 A N 1.281 124.090 122.820 -0.018 0.000 1.908 6209 A HA -0.133 4.187 4.320 0.000 0.000 0.218 6209 A C 2.389 179.952 177.584 -0.034 0.000 1.181 6209 A CA 1.823 53.846 52.037 -0.024 0.000 0.627 6209 A CB -0.757 18.238 19.000 -0.009 0.000 0.818 6209 A HN 0.406 nan 8.150 nan 0.000 0.445 6210 A N -0.493 122.313 122.820 -0.023 0.000 1.972 6210 A HA -0.127 4.193 4.320 0.000 0.000 0.219 6210 A C 2.077 179.631 177.584 -0.049 0.000 1.169 6210 A CA 1.731 53.750 52.037 -0.029 0.000 0.635 6210 A CB -0.331 18.663 19.000 -0.010 0.000 0.810 6210 A HN 0.559 nan 8.150 nan 0.000 0.446 6211 K N -1.010 119.364 120.400 -0.044 0.000 2.243 6211 K HA 0.058 4.378 4.320 0.000 0.000 0.201 6211 K C 1.825 178.382 176.600 -0.072 0.000 1.051 6211 K CA 0.689 56.945 56.287 -0.052 0.000 0.970 6211 K CB 0.039 32.517 32.500 -0.036 0.000 0.755 6211 K HN 0.338 nan 8.250 nan 0.000 0.465 6212 R N 0.156 120.612 120.500 -0.072 0.000 2.312 6212 R HA 0.058 4.398 4.340 0.000 0.000 0.205 6212 R C 0.700 176.925 176.300 -0.125 0.000 0.904 6212 R CA 0.092 56.145 56.100 -0.078 0.000 1.052 6212 R CB 0.568 30.839 30.300 -0.049 0.000 1.014 6212 R HN -0.028 nan 8.270 nan 0.000 0.503 6213 T N 0.565 115.031 114.554 -0.145 0.000 2.918 6213 T HA 0.024 4.374 4.350 0.000 0.000 0.302 6213 T C 1.328 175.830 174.700 -0.330 0.000 1.045 6213 T CA 0.064 62.048 62.100 -0.193 0.000 1.114 6213 T CB 1.263 70.043 68.868 -0.148 0.000 0.965 6213 T HN 0.290 nan 8.240 nan 0.000 0.540 6214 T N 2.797 117.105 114.554 -0.410 0.000 3.122 6214 T HA 0.322 4.672 4.350 0.000 0.000 0.250 6214 T C 0.696 175.089 174.700 -0.513 0.000 1.067 6214 T CA -0.293 61.448 62.100 -0.598 0.000 0.966 6214 T CB -0.273 68.129 68.868 -0.777 0.000 1.002 6214 T HN 0.547 nan 8.240 nan 0.000 0.542 6215 I N 1.574 121.940 120.570 -0.340 0.000 2.385 6215 I HA 0.427 4.598 4.170 0.000 0.000 0.294 6215 I C -0.837 175.134 176.117 -0.244 0.000 0.988 6215 I CA -1.574 59.589 61.300 -0.229 0.000 1.265 6215 I CB 1.234 39.163 38.000 -0.118 0.000 1.388 6215 I HN 0.129 nan 8.210 nan 0.000 0.480 6216 Y N 6.758 127.027 120.300 -0.053 0.000 2.309 6216 Y HA 0.494 5.044 4.550 0.000 0.000 0.327 6216 Y C 0.194 176.093 175.900 -0.002 0.000 1.172 6216 Y CA -0.154 57.952 58.100 0.010 0.000 1.280 6216 Y CB 0.832 39.358 38.460 0.110 0.000 1.234 6216 Y HN 0.408 nan 8.280 nan 0.000 0.512 6217 R N 0.864 121.469 120.500 0.175 0.000 2.626 6217 R HA 0.237 4.577 4.340 0.000 0.000 0.274 6217 R C 0.008 176.375 176.300 0.111 0.000 1.031 6217 R CA -0.672 55.489 56.100 0.102 0.000 0.898 6217 R CB 2.070 32.396 30.300 0.044 0.000 1.222 6217 R HN 0.596 nan 8.270 nan 0.000 0.455 6218 V N 1.540 121.509 119.914 0.091 0.000 2.720 6218 V HA -0.184 3.936 4.120 0.000 0.000 0.256 6218 V C 0.740 176.873 176.094 0.065 0.000 1.082 6218 V CA 2.568 64.915 62.300 0.079 0.000 1.101 6218 V CB -0.254 31.607 31.823 0.064 0.000 0.693 6218 V HN 0.822 nan 8.190 nan 0.000 0.479 6219 D N -1.841 118.597 120.400 0.064 0.000 2.368 6219 D HA 0.082 4.722 4.640 0.000 0.000 0.218 6219 D C 1.003 177.333 176.300 0.051 0.000 1.112 6219 D CA 0.201 54.235 54.000 0.055 0.000 0.834 6219 D CB 0.104 40.941 40.800 0.060 0.000 0.953 6219 D HN 0.501 nan 8.370 nan 0.000 0.505 6220 N N -0.563 118.170 118.700 0.055 0.000 3.342 6220 N HA 0.120 4.860 4.740 0.000 0.000 0.211 6220 N C -1.209 174.332 175.510 0.052 0.000 1.380 6220 N CA 0.308 53.383 53.050 0.042 0.000 1.192 6220 N CB 0.873 39.377 38.487 0.028 0.000 1.060 6220 N HN -0.118 nan 8.380 nan 0.000 0.743 6221 V N 1.848 121.808 119.914 0.075 0.000 2.349 6221 V HA 0.775 4.895 4.120 0.000 0.000 0.284 6221 V C -0.450 175.794 176.094 0.249 0.000 1.014 6221 V CA -1.055 61.322 62.300 0.128 0.000 0.826 6221 V CB 0.559 32.441 31.823 0.098 0.000 1.009 6221 V HN 0.541 nan 8.190 nan 0.000 0.431 6222 A N 3.608 126.539 122.820 0.184 0.000 2.440 6222 A HA 0.426 4.746 4.320 0.000 0.000 0.251 6222 A C 0.738 178.418 177.584 0.160 0.000 1.089 6222 A CA -0.118 52.023 52.037 0.173 0.000 0.779 6222 A CB 0.031 19.081 19.000 0.083 0.000 1.022 6222 A HN 0.802 nan 8.150 nan 0.000 0.492 6223 F N 2.416 122.304 119.950 -0.103 0.000 2.126 6223 F HA -0.169 4.358 4.527 0.000 0.000 0.299 6223 F C 2.207 177.811 175.800 -0.327 0.000 1.096 6223 F CA 2.218 59.898 58.000 -0.533 0.000 1.255 6223 F CB -0.130 38.632 39.000 -0.397 0.000 0.997 6223 F HN 0.755 nan 8.300 nan 0.000 0.479 6224 R N 0.155 120.518 120.500 -0.229 0.000 2.159 6224 R HA -0.169 4.171 4.340 0.000 0.000 0.237 6224 R C 1.042 177.198 176.300 -0.240 0.000 1.131 6224 R CA 1.856 57.797 56.100 -0.265 0.000 0.982 6224 R CB -0.485 29.759 30.300 -0.094 0.000 0.868 6224 R HN 0.264 nan 8.270 nan 0.000 0.453 6225 D N -0.122 120.182 120.400 -0.160 0.000 2.339 6225 D HA -0.015 4.625 4.640 0.000 0.000 0.217 6225 D C -0.316 175.926 176.300 -0.096 0.000 1.050 6225 D CA 0.475 54.419 54.000 -0.092 0.000 0.856 6225 D CB 0.174 40.965 40.800 -0.014 0.000 0.922 6225 D HN 0.076 nan 8.370 nan 0.000 0.518 6226 D N 0.387 120.674 120.400 -0.188 0.000 2.638 6226 D HA 0.282 4.922 4.640 0.000 0.000 0.245 6226 D C 1.162 177.306 176.300 -0.259 0.000 1.176 6226 D CA -0.311 53.602 54.000 -0.144 0.000 0.996 6226 D CB 0.616 41.398 40.800 -0.031 0.000 1.012 6226 D HN -0.079 nan 8.370 nan 0.000 0.515 6227 A N 2.154 124.855 122.820 -0.198 0.000 2.024 6227 A HA -0.202 4.118 4.320 0.000 0.000 0.220 6227 A C 1.968 179.449 177.584 -0.172 0.000 1.164 6227 A CA 1.219 53.130 52.037 -0.209 0.000 0.643 6227 A CB -0.216 18.706 19.000 -0.130 0.000 0.806 6227 A HN 0.535 nan 8.150 nan 0.000 0.451 6228 E N -0.405 119.732 120.200 -0.106 0.000 2.077 6228 E HA -0.143 4.207 4.350 0.000 0.000 0.193 6228 E C 1.840 178.417 176.600 -0.039 0.000 0.989 6228 E CA 1.513 57.882 56.400 -0.052 0.000 0.800 6228 E CB -0.084 29.602 29.700 -0.023 0.000 0.746 6228 E HN 0.409 nan 8.360 nan 0.000 0.452 6229 V N 0.199 120.065 119.914 -0.080 0.000 2.453 6229 V HA -0.181 3.939 4.120 0.000 0.000 0.247 6229 V C 2.290 178.392 176.094 0.014 0.000 1.048 6229 V CA 1.022 63.314 62.300 -0.014 0.000 1.049 6229 V CB -0.051 31.818 31.823 0.076 0.000 0.672 6229 V HN 0.171 nan 8.190 nan 0.000 0.457 6230 V N 0.218 119.956 119.914 -0.292 0.000 2.407 6230 V HA -0.276 3.844 4.120 0.000 0.000 0.248 6230 V C 2.439 178.306 176.094 -0.378 0.000 1.055 6230 V CA 2.286 64.342 62.300 -0.407 0.000 1.049 6230 V CB -0.540 30.913 31.823 -0.617 0.000 0.662 6230 V HN 0.668 nan 8.190 nan 0.000 0.455 6231 E N -0.987 119.085 120.200 -0.214 0.000 2.106 6231 E HA -0.284 4.066 4.350 0.000 0.000 0.192 6231 E C 2.028 178.649 176.600 0.035 0.000 0.984 6231 E CA 1.541 57.886 56.400 -0.092 0.000 0.806 6231 E CB -0.217 29.467 29.700 -0.025 0.000 0.750 6231 E HN 0.709 nan 8.360 nan 0.000 0.458 6232 W N 0.730 121.980 121.300 -0.084 0.000 2.335 6232 W HA -0.256 4.404 4.660 0.000 0.000 0.311 6232 W C 1.931 178.463 176.519 0.020 0.000 1.213 6232 W CA 1.823 59.144 57.345 -0.040 0.000 1.274 6232 W CB -0.419 28.985 29.460 -0.093 0.000 1.148 6232 W HN -0.089 nan 8.180 nan 0.000 0.498 6233 V N 0.218 120.268 119.914 0.227 0.000 2.343 6233 V HA -0.370 3.750 4.120 0.000 0.000 0.247 6233 V C 2.226 178.361 176.094 0.068 0.000 1.051 6233 V CA 2.451 64.814 62.300 0.104 0.000 1.036 6233 V CB -1.351 30.647 31.823 0.291 0.000 0.654 6233 V HN 0.317 nan 8.190 nan 0.000 0.451 6234 H N -0.319 118.749 119.070 -0.003 0.000 2.352 6234 H HA -0.136 4.420 4.556 0.000 0.000 0.299 6234 H C 2.660 177.985 175.328 -0.005 0.000 1.097 6234 H CA 1.474 57.536 56.048 0.023 0.000 1.311 6234 H CB 0.095 29.861 29.762 0.006 0.000 1.377 6234 H HN 0.342 nan 8.280 nan 0.000 0.504 6235 R N 0.158 120.663 120.500 0.009 0.000 2.075 6235 R HA -0.092 4.248 4.340 0.000 0.000 0.232 6235 R C 2.238 178.402 176.300 -0.227 0.000 1.126 6235 R CA 0.861 56.893 56.100 -0.113 0.000 0.963 6235 R CB 0.041 30.254 30.300 -0.146 0.000 0.858 6235 R HN 0.248 nan 8.270 nan 0.000 0.435 6236 I N 0.447 120.788 120.570 -0.381 0.000 2.179 6236 I HA -0.272 3.898 4.170 0.000 0.000 0.242 6236 I C 2.247 178.239 176.117 -0.208 0.000 1.088 6236 I CA 1.334 62.393 61.300 -0.402 0.000 1.357 6236 I CB -0.949 36.632 38.000 -0.699 0.000 1.051 6236 I HN 0.077 nan 8.210 nan 0.000 0.409 6237 F N 2.456 122.272 119.950 -0.224 0.000 2.069 6237 F HA -0.258 4.269 4.527 0.000 0.000 0.298 6237 F C 2.213 177.905 175.800 -0.180 0.000 1.113 6237 F CA 1.907 59.817 58.000 -0.149 0.000 1.214 6237 F CB -0.416 38.535 39.000 -0.080 0.000 0.978 6237 F HN 0.072 nan 8.300 nan 0.000 0.474 6238 D N 0.132 120.344 120.400 -0.314 0.000 2.104 6238 D HA -0.206 4.434 4.640 0.000 0.000 0.194 6238 D C 2.298 178.270 176.300 -0.546 0.000 0.994 6238 D CA 1.723 55.461 54.000 -0.436 0.000 0.830 6238 D CB -0.567 40.114 40.800 -0.198 0.000 0.959 6238 D HN 0.485 nan 8.370 nan 0.000 0.452 6239 Q N -0.038 119.441 119.800 -0.535 0.000 2.084 6239 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 6239 Q C 2.350 177.817 176.000 -0.888 0.000 0.978 6239 Q CA 0.958 56.227 55.803 -0.890 0.000 0.844 6239 Q CB 0.032 28.412 28.738 -0.597 0.000 0.898 6239 Q HN 0.220 nan 8.270 nan 0.000 0.426 6240 R N -0.332 119.880 120.500 -0.479 0.000 2.081 6240 R HA -0.099 4.241 4.340 0.000 0.000 0.235 6240 R C 2.352 178.477 176.300 -0.293 0.000 1.131 6240 R CA 1.725 57.657 56.100 -0.280 0.000 0.960 6240 R CB -0.320 29.875 30.300 -0.176 0.000 0.856 6240 R HN 0.236 nan 8.270 nan 0.000 0.436 6241 T N 0.959 115.241 114.554 -0.455 0.000 2.737 6241 T HA -0.114 4.236 4.350 0.000 0.000 0.265 6241 T C 1.653 176.204 174.700 -0.248 0.000 1.038 6241 T CA 1.226 63.086 62.100 -0.400 0.000 1.144 6241 T CB -0.039 68.424 68.868 -0.675 0.000 0.866 6241 T HN 0.255 nan 8.240 nan 0.000 0.434 6242 K N 0.325 120.522 120.400 -0.339 0.000 2.026 6242 K HA -0.038 4.282 4.320 0.000 0.000 0.208 6242 K C 1.917 178.590 176.600 0.121 0.000 1.048 6242 K CA 1.305 57.497 56.287 -0.159 0.000 0.929 6242 K CB -0.246 32.070 32.500 -0.306 0.000 0.713 6242 K HN 0.261 nan 8.250 nan 0.000 0.439 6243 F N 0.183 120.124 119.950 -0.016 0.000 2.558 6243 F HA 0.065 4.592 4.527 0.000 0.000 0.298 6243 F C 2.310 178.107 175.800 -0.006 0.000 1.119 6243 F CA 0.576 58.569 58.000 -0.011 0.000 1.451 6243 F CB -1.245 37.734 39.000 -0.035 0.000 1.091 6243 F HN 0.076 nan 8.300 nan 0.000 0.563 6244 G N -0.664 108.231 108.800 0.157 0.000 2.421 6244 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 6244 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 6244 G C 1.644 176.619 174.900 0.125 0.000 1.143 6244 G CA 0.405 45.566 45.100 0.101 0.000 0.784 6244 G HN 0.312 nan 8.290 nan 0.000 0.541 6245 F N 0.644 120.599 119.950 0.007 0.000 2.053 6245 F HA 0.255 4.782 4.527 0.000 0.000 0.292 6245 F C 1.006 176.820 175.800 0.023 0.000 1.125 6245 F CA 0.948 58.951 58.000 0.004 0.000 1.193 6245 F CB 0.184 39.176 39.000 -0.012 0.000 0.996 6245 F HN 0.080 nan 8.300 nan 0.000 0.470 6246 Q N 0.894 120.689 119.800 -0.009 0.000 2.275 6246 Q HA 0.259 4.599 4.340 0.000 0.000 0.258 6246 Q C -2.476 173.568 176.000 0.073 0.000 0.960 6246 Q CA -2.162 53.574 55.803 -0.111 0.000 0.801 6246 Q CB 2.246 30.848 28.738 -0.226 0.000 1.302 6246 Q HN 0.001 nan 8.270 nan 0.000 0.433 6247 P HA -0.031 nan 4.420 nan 0.000 0.249 6247 P C -1.189 175.962 177.300 -0.248 0.000 1.737 6247 P CA 0.418 63.434 63.100 -0.140 0.000 1.128 6247 P CB -0.226 31.382 31.700 -0.153 0.000 1.942 6248 K N 0.000 120.304 120.400 -0.161 0.000 2.780 6248 K HA 0.000 4.320 4.320 0.000 0.000 0.191 6248 K CA 0.000 56.216 56.287 -0.119 0.000 0.838 6248 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 6248 K HN 0.000 nan 8.250 nan 0.000 0.543