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 1x8m_1_F DATA FIRST_RESID 6002 DATA SEQUENCE SLDVRQSIHS AHAKTLDTQG LRNEFLVEKV FVADEYTMVY SHIDRIIVGG DATA SEQUENCE IMPITKTVSV GGEVGKQLGV SYFLERRELG VINIGGAGTI TVDGQCYEIG DATA SEQUENCE HRDALYVGKG AKEVVFASID TGTPAKFYYN CAPAHTTYPT KKVTPDEVSP DATA SEQUENCE VTLGDNLTSN RRTINKYFVP DVLETCQLSM GLTELAPGNL WNTXXXXXXX DATA SEQUENCE XRMEVYFYFN MDDDACVFHM MGQPQETRHI VMHNEQAVIS PSWSIHSGVG DATA SEQUENCE TKAYTFIWGM VGENQVF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 6002 S C 0.000 174.600 174.600 -0.001 0.000 1.055 6002 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 6002 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 6003 L N 3.213 124.437 121.223 0.001 0.000 2.272 6003 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 6003 L C -0.406 176.477 176.870 0.021 0.000 1.032 6003 L CA -0.093 54.755 54.840 0.015 0.000 0.810 6003 L CB 1.235 43.288 42.059 -0.009 0.000 1.205 6003 L HN 0.119 nan 8.230 nan 0.000 0.422 6004 D N 4.300 124.724 120.400 0.041 0.000 2.346 6004 D HA 0.100 4.740 4.640 -0.000 0.000 0.267 6004 D C -0.764 175.580 176.300 0.073 0.000 1.320 6004 D CA 0.263 54.291 54.000 0.046 0.000 0.951 6004 D CB 0.362 41.187 40.800 0.042 0.000 1.079 6004 D HN 0.273 nan 8.370 nan 0.000 0.509 6005 V N 5.783 125.736 119.914 0.066 0.000 2.435 6005 V HA 0.453 4.573 4.120 -0.000 0.000 0.290 6005 V C 0.359 176.527 176.094 0.122 0.000 1.030 6005 V CA -0.821 61.543 62.300 0.105 0.000 0.881 6005 V CB 1.673 33.535 31.823 0.065 0.000 0.983 6005 V HN 0.338 nan 8.190 nan 0.000 0.445 6006 R N 3.812 124.405 120.500 0.155 0.000 2.393 6006 R HA 0.470 4.809 4.340 -0.000 0.000 0.315 6006 R C -0.352 176.079 176.300 0.218 0.000 0.952 6006 R CA -0.489 55.679 56.100 0.113 0.000 0.842 6006 R CB 1.592 31.917 30.300 0.042 0.000 1.163 6006 R HN 0.745 nan 8.270 nan 0.000 0.450 6007 Q N 0.748 120.670 119.800 0.203 0.000 2.382 6007 Q HA 0.259 4.599 4.340 -0.000 0.000 0.229 6007 Q C 0.026 176.132 176.000 0.178 0.000 1.006 6007 Q CA -0.376 55.573 55.803 0.242 0.000 0.916 6007 Q CB 0.873 29.686 28.738 0.126 0.000 1.235 6007 Q HN 0.601 nan 8.270 nan 0.000 0.512 6008 S N 0.938 116.759 115.700 0.201 0.000 2.513 6008 S HA 0.570 5.040 4.470 -0.000 0.000 0.276 6008 S C -0.028 174.720 174.600 0.247 0.000 1.254 6008 S CA -0.896 57.435 58.200 0.219 0.000 1.053 6008 S CB 0.173 63.507 63.200 0.224 0.000 0.958 6008 S HN 0.561 nan 8.310 nan 0.000 0.491 6009 I N 0.073 120.840 120.570 0.328 0.000 2.530 6009 I HA 0.494 4.664 4.170 -0.000 0.000 0.297 6009 I C 0.083 176.493 176.117 0.488 0.000 1.011 6009 I CA -0.913 60.623 61.300 0.393 0.000 1.107 6009 I CB 1.425 39.596 38.000 0.284 0.000 1.285 6009 I HN 0.712 nan 8.210 nan 0.000 0.436 6010 H N 4.337 123.570 119.070 0.272 0.000 2.871 6010 H HA 0.060 4.616 4.556 -0.000 0.000 0.355 6010 H C 1.040 176.274 175.328 -0.157 0.000 1.092 6010 H CA 0.905 57.005 56.048 0.086 0.000 1.420 6010 H CB 1.674 31.475 29.762 0.066 0.000 1.400 6010 H HN 0.925 nan 8.280 nan 0.000 0.604 6011 S N 3.229 118.560 115.700 -0.615 0.000 2.382 6011 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 6011 S C 2.200 176.637 174.600 -0.272 0.000 1.027 6011 S CA 0.797 58.368 58.200 -1.048 0.000 0.991 6011 S CB -0.402 62.013 63.200 -1.308 0.000 0.823 6011 S HN 0.658 nan 8.310 nan 0.000 0.469 6012 A N 1.414 124.346 122.820 0.187 0.000 2.015 6012 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 6012 A C 2.107 179.732 177.584 0.069 0.000 1.163 6012 A CA 1.669 53.735 52.037 0.049 0.000 0.646 6012 A CB -0.991 17.968 19.000 -0.069 0.000 0.806 6012 A HN 0.708 nan 8.150 nan 0.000 0.448 6013 H N -0.020 119.055 119.070 0.007 0.000 2.403 6013 H HA 0.245 4.801 4.556 -0.000 0.000 0.298 6013 H C 2.078 177.456 175.328 0.084 0.000 1.059 6013 H CA 1.363 57.429 56.048 0.029 0.000 1.363 6013 H CB -0.396 29.405 29.762 0.065 0.000 1.410 6013 H HN 0.319 nan 8.280 nan 0.000 0.528 6014 A N 1.182 124.022 122.820 0.034 0.000 1.930 6014 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 6014 A C 2.371 180.000 177.584 0.075 0.000 1.175 6014 A CA 1.546 53.636 52.037 0.088 0.000 0.627 6014 A CB -0.585 18.625 19.000 0.351 0.000 0.815 6014 A HN 0.493 nan 8.150 nan 0.000 0.443 6015 K N -0.066 120.348 120.400 0.024 0.000 2.113 6015 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 6015 K C 1.831 178.453 176.600 0.038 0.000 1.047 6015 K CA 2.044 58.343 56.287 0.020 0.000 0.928 6015 K CB -0.307 32.188 32.500 -0.009 0.000 0.716 6015 K HN 0.605 nan 8.250 nan 0.000 0.446 6016 T N -1.179 113.408 114.554 0.056 0.000 3.129 6016 T HA 0.159 4.509 4.350 -0.000 0.000 0.251 6016 T C 0.760 175.497 174.700 0.061 0.000 1.117 6016 T CA -0.286 61.851 62.100 0.062 0.000 1.034 6016 T CB -0.155 68.765 68.868 0.088 0.000 0.968 6016 T HN 0.030 nan 8.240 nan 0.000 0.526 6017 L N 3.390 124.645 121.223 0.054 0.000 2.416 6017 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 6017 L C 0.676 177.576 176.870 0.050 0.000 1.161 6017 L CA -0.790 54.081 54.840 0.051 0.000 0.845 6017 L CB 0.391 42.485 42.059 0.058 0.000 1.119 6017 L HN 0.419 nan 8.230 nan 0.000 0.464 6018 D N 0.759 121.185 120.400 0.044 0.000 2.478 6018 D HA 0.094 4.734 4.640 -0.000 0.000 0.269 6018 D C 0.927 177.248 176.300 0.035 0.000 1.232 6018 D CA -0.558 53.462 54.000 0.033 0.000 1.059 6018 D CB 0.330 41.148 40.800 0.030 0.000 1.104 6018 D HN 0.432 nan 8.370 nan 0.000 0.566 6019 T N -0.695 113.873 114.554 0.024 0.000 2.607 6019 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 6019 T C 1.589 176.315 174.700 0.044 0.000 1.049 6019 T CA 2.325 64.441 62.100 0.026 0.000 1.162 6019 T CB -0.388 68.496 68.868 0.027 0.000 0.863 6019 T HN 0.458 nan 8.240 nan 0.000 0.424 6020 Q N 0.739 120.562 119.800 0.040 0.000 2.170 6020 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 6020 Q C 2.345 178.371 176.000 0.042 0.000 0.976 6020 Q CA 1.859 57.685 55.803 0.039 0.000 0.858 6020 Q CB -1.001 27.756 28.738 0.031 0.000 0.907 6020 Q HN 0.554 nan 8.270 nan 0.000 0.433 6021 G N 0.120 108.946 108.800 0.044 0.000 2.421 6021 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 6021 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 6021 G C 1.331 176.268 174.900 0.061 0.000 1.171 6021 G CA 0.866 45.990 45.100 0.040 0.000 0.775 6021 G HN 0.391 nan 8.290 nan 0.000 0.543 6022 L N -0.219 121.079 121.223 0.124 0.000 2.083 6022 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 6022 L C 3.212 180.236 176.870 0.257 0.000 1.083 6022 L CA 0.957 55.960 54.840 0.272 0.000 0.752 6022 L CB -0.292 41.898 42.059 0.220 0.000 0.899 6022 L HN 0.153 nan 8.230 nan 0.000 0.433 6023 R N 0.088 120.670 120.500 0.136 0.000 2.073 6023 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 6023 R C 1.994 178.331 176.300 0.061 0.000 1.134 6023 R CA 1.816 57.978 56.100 0.103 0.000 0.952 6023 R CB -0.624 29.716 30.300 0.067 0.000 0.850 6023 R HN 0.530 nan 8.270 nan 0.000 0.433 6024 N N 0.059 118.774 118.700 0.024 0.000 2.205 6024 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 6024 N C 1.524 176.988 175.510 -0.077 0.000 1.015 6024 N CA 0.779 53.821 53.050 -0.013 0.000 0.862 6024 N CB 0.097 38.578 38.487 -0.010 0.000 0.986 6024 N HN 0.234 nan 8.380 nan 0.000 0.429 6025 E N 0.162 120.251 120.200 -0.185 0.000 2.075 6025 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 6025 E C 1.262 177.555 176.600 -0.513 0.000 0.969 6025 E CA 0.909 57.028 56.400 -0.469 0.000 0.815 6025 E CB -0.054 29.101 29.700 -0.908 0.000 0.776 6025 E HN 0.426 nan 8.360 nan 0.000 0.457 6026 F N 0.170 120.141 119.950 0.035 0.000 2.717 6026 F HA 0.245 4.772 4.527 -0.000 0.000 0.297 6026 F C 1.248 177.053 175.800 0.008 0.000 1.113 6026 F CA -0.222 57.791 58.000 0.021 0.000 1.319 6026 F CB 0.599 39.608 39.000 0.016 0.000 1.097 6026 F HN -0.118 nan 8.300 nan 0.000 0.595 6027 L N 1.709 123.031 121.223 0.166 0.000 2.350 6027 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 6027 L C -0.628 176.283 176.870 0.068 0.000 1.099 6027 L CA -0.456 54.445 54.840 0.101 0.000 0.808 6027 L CB 1.619 43.726 42.059 0.081 0.000 1.149 6027 L HN -0.265 nan 8.230 nan 0.000 0.442 6028 V N 4.783 124.737 119.914 0.066 0.000 2.266 6028 V HA 0.095 4.215 4.120 -0.000 0.000 0.271 6028 V C 0.787 176.914 176.094 0.055 0.000 1.032 6028 V CA -0.366 61.966 62.300 0.054 0.000 0.806 6028 V CB 1.169 33.028 31.823 0.059 0.000 1.052 6028 V HN 0.847 nan 8.190 nan 0.000 0.449 6029 E N 3.758 123.984 120.200 0.043 0.000 2.038 6029 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 6029 E C 0.576 177.201 176.600 0.041 0.000 1.000 6029 E CA 1.508 57.932 56.400 0.040 0.000 0.803 6029 E CB 0.253 29.970 29.700 0.028 0.000 0.750 6029 E HN 0.611 nan 8.360 nan 0.000 0.448 6030 K N -0.355 120.063 120.400 0.030 0.000 2.425 6030 K HA 0.250 4.570 4.320 -0.000 0.000 0.259 6030 K C -0.146 176.451 176.600 -0.004 0.000 0.978 6030 K CA -0.374 55.931 56.287 0.029 0.000 0.883 6030 K CB 2.276 34.795 32.500 0.030 0.000 1.110 6030 K HN -0.083 nan 8.250 nan 0.000 0.436 6031 V N 2.553 122.433 119.914 -0.056 0.000 2.795 6031 V HA 0.131 4.251 4.120 -0.000 0.000 0.243 6031 V C 0.144 176.049 176.094 -0.315 0.000 1.069 6031 V CA 0.602 62.742 62.300 -0.267 0.000 1.089 6031 V CB 0.009 31.565 31.823 -0.446 0.000 0.756 6031 V HN 0.565 nan 8.190 nan 0.000 0.471 6032 F N 0.147 120.160 119.950 0.105 0.000 2.427 6032 F HA 0.633 5.160 4.527 -0.000 0.000 0.348 6032 F C -0.541 175.293 175.800 0.056 0.000 1.125 6032 F CA -0.859 57.186 58.000 0.075 0.000 0.989 6032 F CB 1.818 40.869 39.000 0.085 0.000 1.165 6032 F HN -0.259 nan 8.300 nan 0.000 0.442 6033 V N 3.415 123.473 119.914 0.241 0.000 2.483 6033 V HA 0.535 4.655 4.120 -0.000 0.000 0.297 6033 V C 0.140 176.298 176.094 0.106 0.000 1.027 6033 V CA -1.203 61.175 62.300 0.129 0.000 0.855 6033 V CB 1.503 33.364 31.823 0.064 0.000 0.995 6033 V HN 0.878 nan 8.190 nan 0.000 0.424 6034 A N 3.589 126.457 122.820 0.079 0.000 2.603 6034 A HA 0.183 4.503 4.320 -0.000 0.000 0.235 6034 A C 0.909 178.524 177.584 0.051 0.000 1.035 6034 A CA 0.610 52.681 52.037 0.057 0.000 0.755 6034 A CB -0.357 18.667 19.000 0.041 0.000 0.954 6034 A HN 1.083 nan 8.150 nan 0.000 0.511 6035 D N 0.745 121.180 120.400 0.059 0.000 2.792 6035 D HA -0.153 4.487 4.640 -0.000 0.000 0.231 6035 D C 0.265 176.599 176.300 0.057 0.000 1.160 6035 D CA 2.115 56.152 54.000 0.062 0.000 0.697 6035 D CB -0.992 39.834 40.800 0.044 0.000 1.070 6035 D HN 0.859 nan 8.370 nan 0.000 0.426 6036 E N -1.278 118.960 120.200 0.064 0.000 2.460 6036 E HA 0.513 4.863 4.350 -0.000 0.000 0.277 6036 E C -0.641 176.015 176.600 0.092 0.000 1.010 6036 E CA -1.083 55.326 56.400 0.014 0.000 0.838 6036 E CB 1.605 31.262 29.700 -0.072 0.000 1.448 6036 E HN 0.126 nan 8.360 nan 0.000 0.462 6037 Y N -1.659 118.667 120.300 0.043 0.000 2.446 6037 Y HA 0.669 5.219 4.550 -0.000 0.000 0.345 6037 Y C -0.565 175.366 175.900 0.052 0.000 0.984 6037 Y CA -0.844 57.283 58.100 0.045 0.000 1.058 6037 Y CB 1.404 39.854 38.460 -0.017 0.000 1.220 6037 Y HN 0.198 nan 8.280 nan 0.000 0.455 6038 T N 5.536 120.255 114.554 0.276 0.000 2.929 6038 T HA 0.627 4.977 4.350 -0.000 0.000 0.284 6038 T C -1.016 173.857 174.700 0.288 0.000 1.014 6038 T CA -0.611 61.581 62.100 0.153 0.000 1.051 6038 T CB 0.770 69.665 68.868 0.044 0.000 1.028 6038 T HN 0.822 nan 8.240 nan 0.000 0.485 6039 M N 3.029 122.743 119.600 0.191 0.000 2.265 6039 M HA 0.498 4.978 4.480 -0.000 0.000 0.262 6039 M C -2.280 174.090 176.300 0.117 0.000 1.026 6039 M CA -0.487 54.939 55.300 0.210 0.000 0.987 6039 M CB 1.207 34.001 32.600 0.322 0.000 1.937 6039 M HN 0.350 nan 8.290 nan 0.000 0.481 6040 V N 4.861 124.817 119.914 0.069 0.000 2.487 6040 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 6040 V C -1.464 174.688 176.094 0.096 0.000 1.028 6040 V CA -0.574 61.767 62.300 0.067 0.000 0.860 6040 V CB 1.820 33.655 31.823 0.019 0.000 0.991 6040 V HN 0.783 nan 8.190 nan 0.000 0.427 6041 Y N 3.699 123.990 120.300 -0.015 0.000 2.342 6041 Y HA 0.582 5.132 4.550 -0.000 0.000 0.338 6041 Y C 0.395 176.246 175.900 -0.082 0.000 0.965 6041 Y CA -0.036 58.035 58.100 -0.048 0.000 1.159 6041 Y CB 1.617 40.034 38.460 -0.072 0.000 1.157 6041 Y HN 0.627 nan 8.280 nan 0.000 0.486 6042 S N 5.283 120.852 115.700 -0.219 0.000 2.433 6042 S HA 0.213 4.683 4.470 -0.000 0.000 0.310 6042 S C 0.521 175.008 174.600 -0.188 0.000 1.097 6042 S CA -0.628 57.514 58.200 -0.096 0.000 1.103 6042 S CB 0.348 63.516 63.200 -0.054 0.000 0.992 6042 S HN 0.912 nan 8.310 nan 0.000 0.469 6043 H N 3.916 123.052 119.070 0.109 0.000 2.560 6043 H HA 0.087 4.643 4.556 -0.000 0.000 0.283 6043 H C 0.210 175.578 175.328 0.068 0.000 1.028 6043 H CA 0.797 56.932 56.048 0.145 0.000 1.221 6043 H CB 0.044 29.920 29.762 0.191 0.000 1.363 6043 H HN 0.556 nan 8.280 nan 0.000 0.594 6044 I N 2.344 122.984 120.570 0.118 0.000 2.311 6044 I HA -0.072 4.098 4.170 -0.000 0.000 0.297 6044 I C 0.143 176.274 176.117 0.024 0.000 1.131 6044 I CA 0.183 61.537 61.300 0.089 0.000 1.289 6044 I CB 0.280 38.327 38.000 0.078 0.000 1.446 6044 I HN 0.089 nan 8.210 nan 0.000 0.524 6045 D N 4.770 125.194 120.400 0.040 0.000 3.012 6045 D HA -0.228 4.412 4.640 -0.000 0.000 0.222 6045 D C 0.545 176.808 176.300 -0.061 0.000 1.167 6045 D CA 0.551 54.556 54.000 0.009 0.000 0.854 6045 D CB -0.769 40.034 40.800 0.005 0.000 1.107 6045 D HN 0.709 nan 8.370 nan 0.000 0.421 6046 R N -1.126 119.300 120.500 -0.124 0.000 3.502 6046 R HA -0.211 4.129 4.340 -0.000 0.000 0.266 6046 R C 0.396 176.442 176.300 -0.422 0.000 1.077 6046 R CA 0.708 56.588 56.100 -0.367 0.000 0.718 6046 R CB -1.038 29.166 30.300 -0.160 0.000 1.120 6046 R HN 0.355 nan 8.270 nan 0.000 0.457 6047 I N 1.394 121.782 120.570 -0.304 0.000 2.474 6047 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 6047 I C 0.782 176.736 176.117 -0.271 0.000 1.048 6047 I CA -0.753 60.416 61.300 -0.219 0.000 1.383 6047 I CB 0.726 38.654 38.000 -0.120 0.000 1.412 6047 I HN 0.093 nan 8.210 nan 0.000 0.531 6048 I N 6.614 127.089 120.570 -0.159 0.000 2.530 6048 I HA 0.666 4.836 4.170 -0.000 0.000 0.297 6048 I C -0.844 175.215 176.117 -0.096 0.000 1.011 6048 I CA -0.255 61.002 61.300 -0.072 0.000 1.107 6048 I CB 1.939 40.013 38.000 0.124 0.000 1.285 6048 I HN 0.186 nan 8.210 nan 0.000 0.436 6049 V N 5.675 125.483 119.914 -0.176 0.000 2.914 6049 V HA 1.049 5.169 4.120 -0.000 0.000 0.314 6049 V C 0.354 176.088 176.094 -0.599 0.000 1.084 6049 V CA 0.070 62.102 62.300 -0.446 0.000 0.963 6049 V CB 1.235 32.914 31.823 -0.239 0.000 1.025 6049 V HN 1.244 nan 8.190 nan 0.000 0.432 6050 G N 1.052 109.156 108.800 -1.160 0.000 2.349 6050 G HA2 0.652 4.612 3.960 -0.000 0.000 0.294 6050 G HA3 0.652 4.612 3.960 -0.000 0.000 0.294 6050 G C -0.863 173.587 174.900 -0.750 0.000 1.380 6050 G CA 0.070 44.716 45.100 -0.756 0.000 0.811 6050 G HN 1.136 nan 8.290 nan 0.000 0.519 6051 G N -1.278 107.427 108.800 -0.157 0.000 2.642 6051 G HA2 0.722 4.682 3.960 -0.000 0.000 0.293 6051 G HA3 0.722 4.682 3.960 -0.000 0.000 0.293 6051 G C -1.362 173.767 174.900 0.381 0.000 1.341 6051 G CA -0.738 44.417 45.100 0.092 0.000 0.916 6051 G HN 0.790 nan 8.290 nan 0.000 0.474 6052 I N 0.950 121.788 120.570 0.446 0.000 2.529 6052 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 6052 I C -0.537 175.698 176.117 0.198 0.000 1.088 6052 I CA -0.337 61.099 61.300 0.227 0.000 1.062 6052 I CB 2.268 40.164 38.000 -0.174 0.000 1.218 6052 I HN 0.353 nan 8.210 nan 0.000 0.442 6053 M N 9.260 128.944 119.600 0.140 0.000 2.066 6053 M HA 0.422 4.902 4.480 -0.000 0.000 0.264 6053 M C -2.770 173.564 176.300 0.056 0.000 0.886 6053 M CA -1.549 53.739 55.300 -0.020 0.000 0.810 6053 M CB 1.352 33.879 32.600 -0.122 0.000 1.451 6053 M HN 0.129 nan 8.290 nan 0.000 0.373 6054 P HA 0.198 nan 4.420 nan 0.000 0.276 6054 P C -0.417 176.924 177.300 0.068 0.000 1.243 6054 P CA 0.019 63.191 63.100 0.120 0.000 0.768 6054 P CB 1.617 33.432 31.700 0.191 0.000 0.856 6055 I N 2.557 123.159 120.570 0.053 0.000 3.632 6055 I HA -0.009 4.161 4.170 -0.000 0.000 0.246 6055 I C 2.098 178.236 176.117 0.035 0.000 1.125 6055 I CA 0.821 62.141 61.300 0.033 0.000 1.519 6055 I CB -0.502 37.511 38.000 0.023 0.000 1.555 6055 I HN 0.287 nan 8.210 nan 0.000 0.452 6056 T N -1.553 113.021 114.554 0.034 0.000 3.044 6056 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 6056 T C 0.615 175.336 174.700 0.035 0.000 1.081 6056 T CA 0.111 62.228 62.100 0.030 0.000 1.040 6056 T CB 0.331 69.213 68.868 0.023 0.000 0.962 6056 T HN 0.075 nan 8.240 nan 0.000 0.506 6057 K N -0.361 120.066 120.400 0.045 0.000 2.208 6057 K HA 0.608 4.928 4.320 -0.000 0.000 0.241 6057 K C -1.136 175.506 176.600 0.070 0.000 1.087 6057 K CA -0.764 55.554 56.287 0.050 0.000 0.883 6057 K CB 2.172 34.701 32.500 0.049 0.000 1.360 6057 K HN -0.027 nan 8.250 nan 0.000 0.496 6058 T N 0.215 114.814 114.554 0.074 0.000 2.924 6058 T HA 0.571 4.921 4.350 -0.000 0.000 0.291 6058 T C -1.592 173.178 174.700 0.117 0.000 1.045 6058 T CA -0.607 61.550 62.100 0.094 0.000 1.015 6058 T CB 1.350 70.255 68.868 0.061 0.000 1.103 6058 T HN 0.212 nan 8.240 nan 0.000 0.496 6059 V N 2.751 122.766 119.914 0.169 0.000 2.588 6059 V HA 0.666 4.786 4.120 -0.000 0.000 0.304 6059 V C -0.395 175.831 176.094 0.219 0.000 1.042 6059 V CA -0.705 61.720 62.300 0.207 0.000 0.877 6059 V CB 2.004 33.980 31.823 0.255 0.000 0.996 6059 V HN 0.951 nan 8.190 nan 0.000 0.425 6060 S N 2.576 118.371 115.700 0.159 0.000 2.568 6060 S HA 0.802 5.272 4.470 -0.000 0.000 0.293 6060 S C -0.940 173.672 174.600 0.019 0.000 1.089 6060 S CA -0.652 57.594 58.200 0.078 0.000 0.945 6060 S CB 2.266 65.476 63.200 0.017 0.000 1.077 6060 S HN 0.688 nan 8.310 nan 0.000 0.485 6061 V N 1.606 121.491 119.914 -0.049 0.000 2.686 6061 V HA 0.908 5.028 4.120 -0.000 0.000 0.306 6061 V C 0.128 176.184 176.094 -0.064 0.000 1.065 6061 V CA 0.539 62.718 62.300 -0.200 0.000 0.894 6061 V CB 1.193 32.781 31.823 -0.392 0.000 1.004 6061 V HN 1.094 nan 8.190 nan 0.000 0.424 6062 G N 4.205 112.974 108.800 -0.053 0.000 3.307 6062 G HA2 0.294 4.254 3.960 -0.000 0.000 0.147 6062 G HA3 0.294 4.254 3.960 -0.000 0.000 0.147 6062 G C 0.902 175.863 174.900 0.101 0.000 1.183 6062 G CA 0.663 45.803 45.100 0.066 0.000 1.485 6062 G HN 1.285 nan 8.290 nan 0.000 0.726 6063 G N 0.421 109.267 108.800 0.075 0.000 2.414 6063 G HA2 0.013 3.973 3.960 -0.000 0.000 0.215 6063 G HA3 0.013 3.973 3.960 -0.000 0.000 0.215 6063 G C 1.347 176.276 174.900 0.048 0.000 1.188 6063 G CA 1.611 46.765 45.100 0.089 0.000 0.783 6063 G HN 0.538 nan 8.290 nan 0.000 0.537 6064 E N -0.030 120.183 120.200 0.022 0.000 2.160 6064 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 6064 E C 2.678 179.275 176.600 -0.004 0.000 0.991 6064 E CA 0.818 57.227 56.400 0.015 0.000 0.810 6064 E CB -0.072 29.643 29.700 0.025 0.000 0.742 6064 E HN 0.315 nan 8.360 nan 0.000 0.466 6065 V N 0.639 120.518 119.914 -0.058 0.000 2.379 6065 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 6065 V C 2.360 178.409 176.094 -0.075 0.000 1.044 6065 V CA 1.863 64.073 62.300 -0.148 0.000 1.036 6065 V CB -0.765 30.781 31.823 -0.463 0.000 0.664 6065 V HN 0.387 nan 8.190 nan 0.000 0.453 6066 G N -0.103 108.698 108.800 0.001 0.000 2.450 6066 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 6066 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 6066 G C 1.626 176.537 174.900 0.019 0.000 1.130 6066 G CA 0.918 46.047 45.100 0.048 0.000 0.760 6066 G HN 0.482 nan 8.290 nan 0.000 0.557 6067 K N 0.123 120.531 120.400 0.014 0.000 2.032 6067 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 6067 K C 2.691 179.289 176.600 -0.004 0.000 1.048 6067 K CA 1.526 57.817 56.287 0.007 0.000 0.927 6067 K CB -0.254 32.252 32.500 0.010 0.000 0.712 6067 K HN 0.362 nan 8.250 nan 0.000 0.441 6068 Q N 0.412 120.207 119.800 -0.009 0.000 2.234 6068 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 6068 Q C 1.779 177.758 176.000 -0.035 0.000 0.980 6068 Q CA 1.035 56.825 55.803 -0.022 0.000 0.869 6068 Q CB -0.068 28.659 28.738 -0.018 0.000 0.912 6068 Q HN 0.360 nan 8.270 nan 0.000 0.436 6069 L N -0.999 120.219 121.223 -0.008 0.000 2.607 6069 L HA 0.211 4.551 4.340 -0.000 0.000 0.228 6069 L C 0.895 177.764 176.870 -0.002 0.000 1.123 6069 L CA 0.187 55.029 54.840 0.004 0.000 0.890 6069 L CB 0.214 42.327 42.059 0.090 0.000 1.103 6069 L HN 0.305 nan 8.230 nan 0.000 0.468 6070 G N 1.313 110.108 108.800 -0.010 0.000 2.212 6070 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.255 6070 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.255 6070 G C -0.048 174.841 174.900 -0.017 0.000 1.062 6070 G CA 0.250 45.343 45.100 -0.011 0.000 0.815 6070 G HN 0.283 nan 8.290 nan 0.000 0.497 6071 V N -4.732 115.166 119.914 -0.026 0.000 3.181 6071 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 6071 V C 1.158 177.220 176.094 -0.055 0.000 1.214 6071 V CA 0.363 62.622 62.300 -0.068 0.000 1.053 6071 V CB 1.091 32.836 31.823 -0.129 0.000 1.069 6071 V HN 0.287 nan 8.190 nan 0.000 0.441 6072 S N 0.415 116.068 115.700 -0.078 0.000 2.368 6072 S HA 0.057 4.527 4.470 -0.000 0.000 0.225 6072 S C 0.214 174.922 174.600 0.181 0.000 1.030 6072 S CA 2.308 60.551 58.200 0.071 0.000 0.999 6072 S CB -0.567 62.753 63.200 0.201 0.000 0.844 6072 S HN 1.077 nan 8.310 nan 0.000 0.459 6073 Y N -3.654 116.662 120.300 0.026 0.000 2.571 6073 Y HA 0.515 5.065 4.550 -0.000 0.000 0.341 6073 Y C 0.618 176.582 175.900 0.107 0.000 1.076 6073 Y CA -1.854 56.273 58.100 0.046 0.000 1.029 6073 Y CB 0.075 38.546 38.460 0.018 0.000 1.308 6073 Y HN -0.059 nan 8.280 nan 0.000 0.461 6074 F N 1.351 121.316 119.950 0.026 0.000 2.050 6074 F HA -0.306 4.221 4.527 0.000 0.000 0.294 6074 F C 1.048 176.789 175.800 -0.099 0.000 1.113 6074 F CA 1.986 59.952 58.000 -0.056 0.000 1.225 6074 F CB 0.087 39.041 39.000 -0.076 0.000 0.953 6074 F HN 0.520 nan 8.300 nan 0.000 0.501 6075 L N 0.449 121.623 121.223 -0.083 0.000 2.805 6075 L HA 0.036 4.376 4.340 -0.000 0.000 0.237 6075 L C 1.539 178.277 176.870 -0.220 0.000 1.252 6075 L CA 0.013 54.698 54.840 -0.259 0.000 1.064 6075 L CB -0.530 41.382 42.059 -0.244 0.000 1.361 6075 L HN 0.340 nan 8.230 nan 0.000 0.474 6076 E N 1.277 121.155 120.200 -0.538 0.000 2.110 6076 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 6076 E C 0.962 177.385 176.600 -0.295 0.000 0.988 6076 E CA 0.902 56.840 56.400 -0.768 0.000 0.804 6076 E CB 0.411 29.501 29.700 -1.016 0.000 0.745 6076 E HN 0.396 nan 8.360 nan 0.000 0.458 6077 R N 0.093 120.464 120.500 -0.215 0.000 2.661 6077 R HA 0.332 4.672 4.340 -0.000 0.000 0.429 6077 R C -0.494 175.748 176.300 -0.097 0.000 1.044 6077 R CA -0.066 55.971 56.100 -0.106 0.000 1.065 6077 R CB 0.982 31.245 30.300 -0.062 0.000 1.377 6077 R HN -0.017 nan 8.270 nan 0.000 0.600 6078 R N 0.631 121.032 120.500 -0.164 0.000 2.764 6078 R HA 0.290 4.629 4.340 -0.000 0.000 0.270 6078 R C -0.839 175.309 176.300 -0.253 0.000 1.014 6078 R CA -0.818 55.160 56.100 -0.205 0.000 0.904 6078 R CB 2.183 32.304 30.300 -0.297 0.000 1.236 6078 R HN 0.164 nan 8.270 nan 0.000 0.466 6079 E N 1.633 121.686 120.200 -0.244 0.000 2.238 6079 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 6079 E C -1.403 174.984 176.600 -0.354 0.000 0.887 6079 E CA -0.964 55.253 56.400 -0.305 0.000 0.769 6079 E CB 2.279 31.932 29.700 -0.079 0.000 1.187 6079 E HN 0.201 nan 8.360 nan 0.000 0.416 6080 L N 1.446 122.376 121.223 -0.488 0.000 2.346 6080 L HA 0.701 5.041 4.340 -0.000 0.000 0.276 6080 L C -0.550 176.138 176.870 -0.303 0.000 1.006 6080 L CA -0.195 54.433 54.840 -0.354 0.000 0.817 6080 L CB 2.016 43.853 42.059 -0.370 0.000 1.272 6080 L HN 0.760 nan 8.230 nan 0.000 0.421 6081 G N 4.405 113.135 108.800 -0.117 0.000 2.574 6081 G HA2 0.607 4.567 3.960 -0.000 0.000 0.306 6081 G HA3 0.607 4.567 3.960 -0.000 0.000 0.306 6081 G C -1.657 173.351 174.900 0.181 0.000 1.334 6081 G CA -0.363 44.720 45.100 -0.028 0.000 0.954 6081 G HN 0.514 nan 8.290 nan 0.000 0.500 6082 V N 3.445 123.530 119.914 0.285 0.000 2.604 6082 V HA 0.590 4.710 4.120 -0.000 0.000 0.305 6082 V C -0.296 175.929 176.094 0.218 0.000 1.043 6082 V CA -0.717 61.725 62.300 0.237 0.000 0.888 6082 V CB 1.887 33.849 31.823 0.232 0.000 0.995 6082 V HN 0.666 nan 8.190 nan 0.000 0.429 6083 I N 3.234 123.865 120.570 0.102 0.000 2.499 6083 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 6083 I C -0.635 175.466 176.117 -0.026 0.000 1.048 6083 I CA -0.568 60.682 61.300 -0.084 0.000 1.062 6083 I CB 2.163 39.947 38.000 -0.360 0.000 1.238 6083 I HN 0.592 nan 8.210 nan 0.000 0.426 6084 N N 5.548 124.223 118.700 -0.042 0.000 2.422 6084 N HA 0.264 5.004 4.740 -0.000 0.000 0.264 6084 N C 0.157 175.462 175.510 -0.342 0.000 1.063 6084 N CA 0.060 52.990 53.050 -0.200 0.000 0.959 6084 N CB 1.141 39.517 38.487 -0.184 0.000 1.087 6084 N HN 0.518 nan 8.380 nan 0.000 0.483 6085 I N 2.021 122.368 120.570 -0.371 0.000 3.462 6085 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 6085 I C 1.434 177.470 176.117 -0.134 0.000 1.236 6085 I CA 0.291 61.362 61.300 -0.382 0.000 1.418 6085 I CB -0.332 37.416 38.000 -0.420 0.000 1.102 6085 I HN 0.663 nan 8.210 nan 0.000 0.441 6086 G N -0.788 107.895 108.800 -0.195 0.000 2.882 6086 G HA2 0.492 4.452 3.960 -0.000 0.000 0.164 6086 G HA3 0.492 4.452 3.960 -0.000 0.000 0.164 6086 G C 0.363 175.292 174.900 0.047 0.000 1.429 6086 G CA 0.002 45.056 45.100 -0.078 0.000 1.059 6086 G HN 0.337 nan 8.290 nan 0.000 0.581 6087 G N -1.020 107.744 108.800 -0.061 0.000 2.653 6087 G HA2 0.551 4.511 3.960 -0.000 0.000 0.265 6087 G HA3 0.551 4.511 3.960 -0.000 0.000 0.265 6087 G C 0.484 175.364 174.900 -0.033 0.000 1.237 6087 G CA 0.367 45.449 45.100 -0.030 0.000 0.946 6087 G HN 1.062 nan 8.290 nan 0.000 0.522 6088 A N -1.034 121.793 122.820 0.011 0.000 2.561 6088 A HA 0.567 4.887 4.320 -0.000 0.000 0.234 6088 A C 0.903 178.512 177.584 0.042 0.000 1.055 6088 A CA 0.944 53.005 52.037 0.040 0.000 0.756 6088 A CB -0.105 18.925 19.000 0.049 0.000 0.986 6088 A HN 1.810 nan 8.150 nan 0.000 0.505 6089 G N -0.544 108.321 108.800 0.110 0.000 2.782 6089 G HA2 0.627 4.587 3.960 -0.000 0.000 0.304 6089 G HA3 0.627 4.587 3.960 -0.000 0.000 0.304 6089 G C -0.916 174.164 174.900 0.300 0.000 1.315 6089 G CA 0.133 45.362 45.100 0.216 0.000 0.791 6089 G HN 0.914 nan 8.290 nan 0.000 0.519 6090 T N -0.174 114.598 114.554 0.363 0.000 2.916 6090 T HA 0.615 4.965 4.350 -0.000 0.000 0.305 6090 T C -1.520 173.220 174.700 0.066 0.000 1.119 6090 T CA -0.305 61.916 62.100 0.202 0.000 1.008 6090 T CB 1.406 70.339 68.868 0.107 0.000 1.129 6090 T HN 0.692 nan 8.240 nan 0.000 0.480 6091 I N 2.800 123.348 120.570 -0.036 0.000 2.497 6091 I HA 0.458 4.628 4.170 -0.000 0.000 0.284 6091 I C -0.869 175.157 176.117 -0.151 0.000 1.060 6091 I CA -0.294 60.829 61.300 -0.296 0.000 1.071 6091 I CB 1.518 39.265 38.000 -0.422 0.000 1.216 6091 I HN 0.507 nan 8.210 nan 0.000 0.442 6092 T N 6.899 121.316 114.554 -0.229 0.000 2.753 6092 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 6092 T C -0.252 174.350 174.700 -0.163 0.000 0.981 6092 T CA -0.311 61.703 62.100 -0.143 0.000 0.956 6092 T CB 1.179 69.966 68.868 -0.135 0.000 0.936 6092 T HN 0.284 nan 8.240 nan 0.000 0.463 6093 V N 4.533 124.412 119.914 -0.058 0.000 2.318 6093 V HA 0.205 4.325 4.120 -0.000 0.000 0.271 6093 V C 0.135 176.186 176.094 -0.072 0.000 1.030 6093 V CA -0.762 61.498 62.300 -0.066 0.000 0.844 6093 V CB 0.446 32.291 31.823 0.037 0.000 1.015 6093 V HN 0.923 nan 8.190 nan 0.000 0.460 6094 D N 4.919 125.256 120.400 -0.106 0.000 2.697 6094 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 6094 D C 1.351 177.594 176.300 -0.096 0.000 1.167 6094 D CA 1.661 55.599 54.000 -0.105 0.000 0.656 6094 D CB -1.042 39.696 40.800 -0.105 0.000 1.025 6094 D HN 1.240 nan 8.370 nan 0.000 0.419 6095 G N -0.031 108.709 108.800 -0.100 0.000 2.363 6095 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.238 6095 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.238 6095 G C 0.325 175.151 174.900 -0.122 0.000 1.062 6095 G CA 0.523 45.564 45.100 -0.099 0.000 0.629 6095 G HN 0.602 nan 8.290 nan 0.000 0.514 6096 Q N 1.013 120.728 119.800 -0.142 0.000 2.307 6096 Q HA 0.464 4.804 4.340 -0.000 0.000 0.261 6096 Q C 0.424 176.234 176.000 -0.316 0.000 1.051 6096 Q CA -0.202 55.456 55.803 -0.243 0.000 0.911 6096 Q CB 0.300 28.877 28.738 -0.268 0.000 1.227 6096 Q HN 0.558 nan 8.270 nan 0.000 0.418 6097 C N 6.044 125.160 119.300 -0.307 0.000 2.452 6097 C HA 0.483 4.943 4.460 -0.000 0.000 0.379 6097 C C -1.140 173.647 174.990 -0.340 0.000 1.275 6097 C CA -0.390 58.490 59.018 -0.230 0.000 2.056 6097 C CB -0.565 27.098 27.740 -0.128 0.000 2.506 6097 C HN 0.824 nan 8.230 nan 0.000 0.560 6098 Y N 3.154 123.426 120.300 -0.047 0.000 2.376 6098 Y HA 0.414 4.964 4.550 -0.000 0.000 0.340 6098 Y C 0.337 176.246 175.900 0.016 0.000 0.965 6098 Y CA -0.476 57.616 58.100 -0.014 0.000 1.078 6098 Y CB 1.178 39.626 38.460 -0.019 0.000 1.193 6098 Y HN 0.608 nan 8.280 nan 0.000 0.452 6099 E N 4.632 124.947 120.200 0.192 0.000 2.089 6099 E HA 0.350 4.700 4.350 -0.000 0.000 0.284 6099 E C -1.169 175.538 176.600 0.180 0.000 1.023 6099 E CA -0.679 55.813 56.400 0.154 0.000 0.819 6099 E CB 0.729 30.492 29.700 0.105 0.000 1.076 6099 E HN 0.389 nan 8.360 nan 0.000 0.396 6100 I N 0.568 121.266 120.570 0.213 0.000 2.359 6100 I HA 0.398 4.568 4.170 -0.000 0.000 0.284 6100 I C 0.614 176.845 176.117 0.190 0.000 1.018 6100 I CA -0.831 60.602 61.300 0.222 0.000 1.173 6100 I CB 1.185 39.367 38.000 0.303 0.000 1.326 6100 I HN 0.349 nan 8.210 nan 0.000 0.462 6101 G N 3.894 112.777 108.800 0.139 0.000 2.535 6101 G HA2 0.118 4.078 3.960 -0.000 0.000 0.282 6101 G HA3 0.118 4.078 3.960 -0.000 0.000 0.282 6101 G C -0.430 174.534 174.900 0.106 0.000 1.350 6101 G CA -0.604 44.565 45.100 0.116 0.000 1.039 6101 G HN 0.848 nan 8.290 nan 0.000 0.509 6102 H N 0.778 119.856 119.070 0.013 0.000 3.070 6102 H HA -0.009 4.547 4.556 -0.000 0.000 0.313 6102 H C 0.700 176.050 175.328 0.036 0.000 0.997 6102 H CA 0.654 56.700 56.048 -0.003 0.000 1.438 6102 H CB 0.221 29.984 29.762 0.002 0.000 1.455 6102 H HN 0.592 nan 8.280 nan 0.000 0.575 6103 R N 1.890 122.149 120.500 -0.401 0.000 3.989 6103 R HA -0.173 4.167 4.340 -0.000 0.000 0.377 6103 R C -0.630 175.703 176.300 0.055 0.000 1.158 6103 R CA 0.815 56.793 56.100 -0.203 0.000 1.035 6103 R CB -1.888 28.367 30.300 -0.075 0.000 1.557 6103 R HN 0.627 nan 8.270 nan 0.000 0.551 6104 D N 0.087 120.519 120.400 0.054 0.000 2.312 6104 D HA 0.695 5.335 4.640 -0.000 0.000 0.248 6104 D C 0.172 176.554 176.300 0.136 0.000 1.086 6104 D CA 0.308 54.394 54.000 0.143 0.000 0.948 6104 D CB 1.407 42.286 40.800 0.132 0.000 1.162 6104 D HN 0.315 nan 8.370 nan 0.000 0.446 6105 A N 0.786 123.720 122.820 0.189 0.000 2.527 6105 A HA 0.731 5.051 4.320 -0.000 0.000 0.293 6105 A C -1.744 175.990 177.584 0.251 0.000 1.117 6105 A CA -0.538 51.608 52.037 0.181 0.000 0.723 6105 A CB 1.517 20.555 19.000 0.064 0.000 1.313 6105 A HN 0.389 nan 8.150 nan 0.000 0.411 6106 L N 0.280 121.700 121.223 0.329 0.000 2.455 6106 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 6106 L C -1.666 175.301 176.870 0.162 0.000 0.968 6106 L CA -0.326 54.611 54.840 0.161 0.000 0.827 6106 L CB 1.957 43.985 42.059 -0.052 0.000 1.317 6106 L HN 0.770 nan 8.230 nan 0.000 0.407 6107 Y N 4.920 125.119 120.300 -0.168 0.000 2.328 6107 Y HA 0.759 5.309 4.550 0.000 0.000 0.336 6107 Y C -1.423 174.295 175.900 -0.304 0.000 0.960 6107 Y CA -0.782 57.044 58.100 -0.458 0.000 1.134 6107 Y CB 1.624 39.672 38.460 -0.688 0.000 1.166 6107 Y HN 0.354 nan 8.280 nan 0.000 0.464 6108 V N 7.089 126.459 119.914 -0.907 0.000 2.357 6108 V HA 0.576 4.695 4.120 -0.000 0.000 0.284 6108 V C 0.626 176.160 176.094 -0.935 0.000 1.018 6108 V CA -0.366 61.514 62.300 -0.700 0.000 0.841 6108 V CB 0.930 32.495 31.823 -0.430 0.000 0.991 6108 V HN 1.023 nan 8.190 nan 0.000 0.437 6109 G N 3.008 111.393 108.800 -0.691 0.000 2.588 6109 G HA2 0.335 4.295 3.960 -0.000 0.000 0.281 6109 G HA3 0.335 4.295 3.960 -0.000 0.000 0.281 6109 G C -0.138 174.621 174.900 -0.234 0.000 1.236 6109 G CA -0.694 44.146 45.100 -0.433 0.000 0.969 6109 G HN 0.726 nan 8.290 nan 0.000 0.504 6110 K N -0.360 119.960 120.400 -0.133 0.000 2.491 6110 K HA 0.337 4.657 4.320 -0.000 0.000 0.279 6110 K C 1.172 177.754 176.600 -0.030 0.000 1.026 6110 K CA 1.162 57.397 56.287 -0.087 0.000 1.070 6110 K CB -0.135 32.326 32.500 -0.064 0.000 0.887 6110 K HN 1.000 nan 8.250 nan 0.000 0.481 6111 G N 2.447 111.279 108.800 0.053 0.000 2.541 6111 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.201 6111 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.201 6111 G C -0.002 174.956 174.900 0.096 0.000 1.026 6111 G CA -0.167 45.005 45.100 0.120 0.000 0.687 6111 G HN 0.948 nan 8.290 nan 0.000 0.492 6112 A N 1.224 124.047 122.820 0.005 0.000 2.566 6112 A HA 0.478 4.798 4.320 -0.000 0.000 0.245 6112 A C 1.525 179.061 177.584 -0.080 0.000 1.056 6112 A CA 1.364 53.360 52.037 -0.067 0.000 0.757 6112 A CB 0.323 19.259 19.000 -0.106 0.000 0.979 6112 A HN 0.295 nan 8.150 nan 0.000 0.508 6113 K N 1.176 121.409 120.400 -0.278 0.000 2.098 6113 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 6113 K C 0.616 177.110 176.600 -0.177 0.000 1.051 6113 K CA 1.224 57.217 56.287 -0.489 0.000 0.957 6113 K CB 0.185 32.372 32.500 -0.522 0.000 0.738 6113 K HN 0.888 nan 8.250 nan 0.000 0.447 6114 E N 0.238 120.359 120.200 -0.133 0.000 2.304 6114 E HA 0.277 4.627 4.350 -0.000 0.000 0.277 6114 E C -1.725 174.796 176.600 -0.131 0.000 0.898 6114 E CA -0.443 55.902 56.400 -0.092 0.000 0.764 6114 E CB 2.102 31.745 29.700 -0.095 0.000 1.216 6114 E HN -0.262 nan 8.360 nan 0.000 0.419 6115 V N 3.944 123.766 119.914 -0.153 0.000 2.444 6115 V HA 0.432 4.552 4.120 -0.000 0.000 0.294 6115 V C -0.491 175.339 176.094 -0.439 0.000 1.022 6115 V CA -0.823 61.281 62.300 -0.328 0.000 0.850 6115 V CB 1.571 33.172 31.823 -0.370 0.000 0.992 6115 V HN 0.505 nan 8.190 nan 0.000 0.426 6116 V N 5.330 124.945 119.914 -0.497 0.000 2.384 6116 V HA 0.525 4.645 4.120 -0.000 0.000 0.287 6116 V C -0.599 175.161 176.094 -0.557 0.000 1.020 6116 V CA -0.435 61.637 62.300 -0.380 0.000 0.850 6116 V CB 1.348 33.062 31.823 -0.181 0.000 0.987 6116 V HN 0.653 nan 8.190 nan 0.000 0.436 6117 F N 3.042 122.909 119.950 -0.139 0.000 2.421 6117 F HA 0.831 5.358 4.527 -0.000 0.000 0.337 6117 F C 0.510 176.322 175.800 0.020 0.000 1.105 6117 F CA -0.288 57.599 58.000 -0.188 0.000 1.049 6117 F CB 1.817 40.676 39.000 -0.234 0.000 1.139 6117 F HN 0.607 nan 8.300 nan 0.000 0.479 6118 A N 1.300 124.293 122.820 0.288 0.000 2.604 6118 A HA 0.741 5.061 4.320 -0.000 0.000 0.295 6118 A C -1.208 176.560 177.584 0.306 0.000 1.067 6118 A CA -0.754 51.433 52.037 0.251 0.000 0.683 6118 A CB 1.206 20.281 19.000 0.124 0.000 1.281 6118 A HN 0.556 nan 8.150 nan 0.000 0.407 6119 S N 0.630 116.446 115.700 0.194 0.000 2.565 6119 S HA 0.540 5.010 4.470 -0.000 0.000 0.290 6119 S C 0.695 175.347 174.600 0.086 0.000 1.150 6119 S CA -0.271 58.003 58.200 0.123 0.000 1.058 6119 S CB 1.076 64.310 63.200 0.057 0.000 1.032 6119 S HN 1.067 nan 8.310 nan 0.000 0.510 6120 I N -0.807 119.803 120.570 0.067 0.000 3.850 6120 I HA 0.543 4.713 4.170 -0.000 0.000 0.333 6120 I C -0.479 175.656 176.117 0.031 0.000 1.511 6120 I CA -0.090 61.240 61.300 0.050 0.000 1.199 6120 I CB -0.323 37.709 38.000 0.053 0.000 1.217 6120 I HN 0.449 nan 8.210 nan 0.000 0.423 6121 D N 0.620 121.035 120.400 0.025 0.000 2.365 6121 D HA -0.063 4.577 4.640 -0.000 0.000 0.131 6121 D C 0.930 177.234 176.300 0.007 0.000 1.072 6121 D CA 0.437 54.445 54.000 0.013 0.000 1.280 6121 D CB 0.653 41.457 40.800 0.007 0.000 2.399 6121 D HN 0.259 nan 8.370 nan 0.000 0.669 6122 T N 0.009 114.569 114.554 0.010 0.000 2.946 6122 T HA -0.020 4.330 4.350 -0.000 0.000 0.271 6122 T C 1.943 176.642 174.700 -0.001 0.000 1.104 6122 T CA 1.390 63.494 62.100 0.007 0.000 1.114 6122 T CB -0.183 68.692 68.868 0.012 0.000 0.867 6122 T HN 0.397 nan 8.240 nan 0.000 0.513 6123 G N 1.929 110.728 108.800 -0.002 0.000 2.421 6123 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.216 6123 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.216 6123 G C 1.071 175.964 174.900 -0.011 0.000 1.171 6123 G CA 1.084 46.182 45.100 -0.004 0.000 0.775 6123 G HN 0.782 nan 8.290 nan 0.000 0.543 6124 T N -0.445 114.098 114.554 -0.018 0.000 3.410 6124 T HA 0.536 4.886 4.350 -0.000 0.000 0.328 6124 T C -2.728 171.944 174.700 -0.047 0.000 1.567 6124 T CA -1.678 60.403 62.100 -0.031 0.000 1.626 6124 T CB 2.305 71.153 68.868 -0.032 0.000 0.939 6124 T HN 0.075 nan 8.240 nan 0.000 0.656 6125 P HA 0.266 nan 4.420 nan 0.000 0.270 6125 P C 0.064 177.263 177.300 -0.169 0.000 1.221 6125 P CA -0.167 62.882 63.100 -0.085 0.000 0.788 6125 P CB 0.490 32.143 31.700 -0.078 0.000 0.904 6126 A N 2.227 124.909 122.820 -0.230 0.000 2.340 6126 A HA 0.337 4.657 4.320 -0.000 0.000 0.268 6126 A C 0.140 177.331 177.584 -0.654 0.000 1.100 6126 A CA -0.355 51.388 52.037 -0.490 0.000 0.803 6126 A CB 0.082 18.663 19.000 -0.698 0.000 1.043 6126 A HN 0.456 nan 8.150 nan 0.000 0.488 6127 K N 1.890 121.805 120.400 -0.808 0.000 2.530 6127 K HA 0.340 4.660 4.320 -0.000 0.000 0.230 6127 K C -1.753 174.413 176.600 -0.724 0.000 1.002 6127 K CA 0.064 55.710 56.287 -1.068 0.000 1.014 6127 K CB 0.923 32.716 32.500 -1.178 0.000 1.286 6127 K HN 0.539 nan 8.250 nan 0.000 0.480 6128 F N 2.589 122.414 119.950 -0.208 0.000 2.413 6128 F HA 0.157 4.684 4.527 -0.000 0.000 0.359 6128 F C 0.200 176.113 175.800 0.188 0.000 1.122 6128 F CA -0.632 57.355 58.000 -0.022 0.000 1.160 6128 F CB 0.205 39.106 39.000 -0.165 0.000 1.146 6128 F HN 0.386 nan 8.300 nan 0.000 0.514 6129 Y N 6.194 126.573 120.300 0.133 0.000 2.330 6129 Y HA 0.509 5.058 4.550 -0.000 0.000 0.336 6129 Y C -1.077 174.781 175.900 -0.070 0.000 1.036 6129 Y CA -1.494 56.510 58.100 -0.159 0.000 1.125 6129 Y CB 0.621 38.751 38.460 -0.549 0.000 1.194 6129 Y HN 0.529 nan 8.280 nan 0.000 0.469 6130 Y N 2.860 122.563 120.300 -0.996 0.000 2.581 6130 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 6130 Y C -1.801 173.650 175.900 -0.748 0.000 1.036 6130 Y CA -1.462 56.241 58.100 -0.663 0.000 1.042 6130 Y CB 1.410 39.684 38.460 -0.311 0.000 1.289 6130 Y HN 0.549 nan 8.280 nan 0.000 0.471 6131 N N 0.785 119.304 118.700 -0.301 0.000 2.249 6131 N HA 0.541 5.281 4.740 -0.000 0.000 0.296 6131 N C -2.019 173.492 175.510 0.003 0.000 1.051 6131 N CA -0.406 52.513 53.050 -0.218 0.000 0.815 6131 N CB 2.159 40.558 38.487 -0.147 0.000 1.487 6131 N HN 0.979 nan 8.380 nan 0.000 0.475 6132 C N 2.033 121.343 119.300 0.018 0.000 2.431 6132 C HA 0.940 5.400 4.460 -0.000 0.000 0.321 6132 C C -0.675 174.267 174.990 -0.079 0.000 1.202 6132 C CA -0.184 58.816 59.018 -0.031 0.000 1.398 6132 C CB -0.385 27.368 27.740 0.022 0.000 2.047 6132 C HN 0.788 nan 8.230 nan 0.000 0.465 6133 A N 6.375 129.131 122.820 -0.106 0.000 2.423 6133 A HA 0.956 5.276 4.320 -0.000 0.000 0.304 6133 A C -3.030 174.493 177.584 -0.102 0.000 1.104 6133 A CA -1.470 50.511 52.037 -0.095 0.000 0.757 6133 A CB 1.287 20.247 19.000 -0.067 0.000 1.313 6133 A HN 0.653 nan 8.150 nan 0.000 0.423 6134 P HA 0.364 nan 4.420 nan 0.000 0.268 6134 P C -0.719 176.521 177.300 -0.101 0.000 1.205 6134 P CA 0.446 63.511 63.100 -0.059 0.000 0.771 6134 P CB 0.945 32.638 31.700 -0.011 0.000 0.858 6135 A N 2.405 125.185 122.820 -0.066 0.000 2.359 6135 A HA 0.469 4.789 4.320 -0.000 0.000 0.303 6135 A C -0.042 177.574 177.584 0.054 0.000 1.066 6135 A CA -0.320 51.675 52.037 -0.071 0.000 0.730 6135 A CB 0.615 19.591 19.000 -0.040 0.000 1.211 6135 A HN 0.560 nan 8.150 nan 0.000 0.439 6136 H N 1.110 120.170 119.070 -0.016 0.000 2.520 6136 H HA 0.155 4.710 4.556 -0.000 0.000 0.279 6136 H C 0.371 175.657 175.328 -0.071 0.000 0.990 6136 H CA 1.556 57.584 56.048 -0.033 0.000 1.288 6136 H CB 0.356 30.110 29.762 -0.014 0.000 1.446 6136 H HN 0.623 nan 8.280 nan 0.000 0.538 6137 T N -0.148 114.401 114.554 -0.007 0.000 2.907 6137 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 6137 T C 0.130 174.673 174.700 -0.261 0.000 1.043 6137 T CA -1.015 60.980 62.100 -0.174 0.000 1.003 6137 T CB 2.488 71.151 68.868 -0.342 0.000 1.084 6137 T HN 0.191 nan 8.240 nan 0.000 0.483 6138 T N 0.144 114.540 114.554 -0.263 0.000 2.837 6138 T HA 0.634 4.984 4.350 -0.000 0.000 0.285 6138 T C -1.023 173.506 174.700 -0.284 0.000 0.984 6138 T CA -0.519 61.472 62.100 -0.182 0.000 1.049 6138 T CB 0.112 68.928 68.868 -0.087 0.000 0.947 6138 T HN 0.555 nan 8.240 nan 0.000 0.472 6139 Y N 2.499 122.849 120.300 0.083 0.000 2.549 6139 Y HA 0.537 5.087 4.550 -0.000 0.000 0.339 6139 Y C -1.858 174.118 175.900 0.127 0.000 1.053 6139 Y CA -2.695 55.466 58.100 0.102 0.000 1.105 6139 Y CB 1.857 40.384 38.460 0.111 0.000 1.258 6139 Y HN 0.579 nan 8.280 nan 0.000 0.478 6140 P HA -0.008 nan 4.420 nan 0.000 0.268 6140 P C -0.504 176.919 177.300 0.205 0.000 1.205 6140 P CA -0.026 63.182 63.100 0.180 0.000 0.771 6140 P CB 0.683 32.464 31.700 0.136 0.000 0.858 6141 T N 3.274 117.886 114.554 0.097 0.000 2.916 6141 T HA 0.177 4.527 4.350 -0.000 0.000 0.303 6141 T C 0.242 174.961 174.700 0.032 0.000 1.025 6141 T CA 0.412 62.516 62.100 0.006 0.000 1.142 6141 T CB 0.089 68.922 68.868 -0.059 0.000 0.947 6141 T HN 0.440 nan 8.240 nan 0.000 0.544 6142 K N 2.266 122.675 120.400 0.016 0.000 2.525 6142 K HA 0.383 4.703 4.320 -0.000 0.000 0.254 6142 K C -1.073 175.523 176.600 -0.008 0.000 0.934 6142 K CA -0.887 55.409 56.287 0.015 0.000 0.802 6142 K CB 1.591 34.143 32.500 0.087 0.000 1.295 6142 K HN 0.480 nan 8.250 nan 0.000 0.433 6143 K N 3.134 123.515 120.400 -0.032 0.000 2.172 6143 K HA 0.392 4.712 4.320 -0.000 0.000 0.276 6143 K C -1.333 175.329 176.600 0.102 0.000 1.013 6143 K CA -0.583 55.717 56.287 0.022 0.000 0.913 6143 K CB 1.346 33.867 32.500 0.035 0.000 1.055 6143 K HN 0.316 nan 8.250 nan 0.000 0.461 6144 V N 3.693 123.695 119.914 0.147 0.000 2.483 6144 V HA 0.283 4.403 4.120 -0.000 0.000 0.297 6144 V C -0.182 175.947 176.094 0.057 0.000 1.027 6144 V CA -0.838 61.514 62.300 0.087 0.000 0.855 6144 V CB 1.513 33.394 31.823 0.097 0.000 0.995 6144 V HN 1.043 nan 8.190 nan 0.000 0.424 6145 T N 2.161 116.702 114.554 -0.021 0.000 2.952 6145 T HA 0.520 4.870 4.350 -0.000 0.000 0.286 6145 T C -2.040 172.564 174.700 -0.159 0.000 1.024 6145 T CA -2.200 59.888 62.100 -0.021 0.000 1.029 6145 T CB 2.198 71.072 68.868 0.011 0.000 1.094 6145 T HN 0.321 nan 8.240 nan 0.000 0.515 6146 P HA -0.148 nan 4.420 nan 0.000 0.216 6146 P C 1.179 178.386 177.300 -0.156 0.000 1.154 6146 P CA 1.177 64.175 63.100 -0.170 0.000 0.865 6146 P CB -0.008 31.673 31.700 -0.031 0.000 0.789 6147 D N -0.125 120.222 120.400 -0.088 0.000 2.137 6147 D HA -0.210 4.430 4.640 -0.000 0.000 0.189 6147 D C 1.807 178.054 176.300 -0.089 0.000 0.998 6147 D CA 1.505 55.465 54.000 -0.066 0.000 0.839 6147 D CB -0.585 40.194 40.800 -0.034 0.000 0.962 6147 D HN 0.446 nan 8.370 nan 0.000 0.446 6148 E N 0.833 120.973 120.200 -0.101 0.000 2.333 6148 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 6148 E C 0.780 177.293 176.600 -0.146 0.000 1.007 6148 E CA 0.250 56.589 56.400 -0.101 0.000 0.845 6148 E CB -0.010 29.642 29.700 -0.081 0.000 0.766 6148 E HN 0.059 nan 8.360 nan 0.000 0.507 6149 V N 2.056 121.830 119.914 -0.232 0.000 2.614 6149 V HA 0.008 4.128 4.120 -0.000 0.000 0.291 6149 V C 0.297 176.299 176.094 -0.154 0.000 1.049 6149 V CA -0.143 61.993 62.300 -0.273 0.000 1.038 6149 V CB 1.556 33.080 31.823 -0.498 0.000 0.980 6149 V HN 0.099 nan 8.190 nan 0.000 0.481 6150 S N 6.670 122.310 115.700 -0.101 0.000 3.170 6150 S HA 0.269 4.739 4.470 -0.000 0.000 0.257 6150 S C -2.025 172.558 174.600 -0.029 0.000 1.284 6150 S CA -0.832 57.338 58.200 -0.051 0.000 0.973 6150 S CB 0.129 63.314 63.200 -0.026 0.000 1.330 6150 S HN 0.721 nan 8.310 nan 0.000 0.493 6151 P HA 0.073 nan 4.420 nan 0.000 0.264 6151 P C -0.734 176.576 177.300 0.017 0.000 1.183 6151 P CA -0.029 63.068 63.100 -0.005 0.000 0.763 6151 P CB 0.638 32.331 31.700 -0.011 0.000 0.807 6152 V N 3.759 123.698 119.914 0.041 0.000 2.540 6152 V HA 0.293 4.413 4.120 -0.000 0.000 0.302 6152 V C 0.419 176.541 176.094 0.047 0.000 1.035 6152 V CA -0.302 62.026 62.300 0.046 0.000 0.873 6152 V CB 2.044 33.907 31.823 0.066 0.000 0.992 6152 V HN 0.550 nan 8.190 nan 0.000 0.428 6153 T N 6.361 120.935 114.554 0.033 0.000 2.767 6153 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 6153 T C -0.646 174.073 174.700 0.031 0.000 0.973 6153 T CA -0.189 61.930 62.100 0.031 0.000 0.996 6153 T CB 1.061 69.941 68.868 0.021 0.000 0.927 6153 T HN 0.223 nan 8.240 nan 0.000 0.456 6154 L N 1.812 123.057 121.223 0.037 0.000 2.277 6154 L HA 0.885 5.225 4.340 -0.000 0.000 0.254 6154 L C 0.725 177.616 176.870 0.035 0.000 1.044 6154 L CA 0.123 54.983 54.840 0.033 0.000 0.842 6154 L CB 1.305 43.388 42.059 0.039 0.000 1.422 6154 L HN 0.935 nan 8.230 nan 0.000 0.422 6155 G N 0.872 109.689 108.800 0.027 0.000 2.828 6155 G HA2 0.029 3.989 3.960 -0.000 0.000 0.463 6155 G HA3 0.029 3.989 3.960 -0.000 0.000 0.463 6155 G C -1.313 173.599 174.900 0.021 0.000 1.394 6155 G CA -0.103 45.014 45.100 0.028 0.000 0.862 6155 G HN 0.805 nan 8.290 nan 0.000 0.540 6156 D N -1.305 119.107 120.400 0.020 0.000 2.756 6156 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 6156 D C 1.355 177.668 176.300 0.022 0.000 1.186 6156 D CA -0.361 53.648 54.000 0.014 0.000 0.845 6156 D CB 0.856 41.658 40.800 0.003 0.000 1.610 6156 D HN 0.406 nan 8.370 nan 0.000 0.465 6157 N N 1.356 120.068 118.700 0.020 0.000 2.348 6157 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 6157 N C 1.573 177.098 175.510 0.024 0.000 1.019 6157 N CA 0.320 53.385 53.050 0.026 0.000 0.880 6157 N CB 0.322 38.820 38.487 0.019 0.000 0.965 6157 N HN 0.270 nan 8.380 nan 0.000 0.437 6158 L N 1.444 122.674 121.223 0.012 0.000 1.961 6158 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 6158 L C 2.274 179.144 176.870 0.000 0.000 1.072 6158 L CA 1.773 56.614 54.840 0.003 0.000 0.749 6158 L CB -1.027 41.027 42.059 -0.008 0.000 0.889 6158 L HN 0.223 nan 8.230 nan 0.000 0.432 6159 T N -3.745 110.803 114.554 -0.009 0.000 3.215 6159 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 6159 T C 1.155 175.870 174.700 0.024 0.000 1.149 6159 T CA 0.658 62.737 62.100 -0.034 0.000 1.042 6159 T CB -0.344 68.486 68.868 -0.064 0.000 0.966 6159 T HN 0.412 nan 8.240 nan 0.000 0.534 6160 S N 0.785 116.528 115.700 0.072 0.000 3.587 6160 S HA -0.244 4.226 4.470 -0.000 0.000 0.337 6160 S C 0.802 175.508 174.600 0.177 0.000 1.119 6160 S CA 1.106 59.390 58.200 0.141 0.000 0.976 6160 S CB -2.169 61.174 63.200 0.239 0.000 0.922 6160 S HN 0.885 nan 8.310 nan 0.000 0.503 6161 N N 0.545 119.317 118.700 0.120 0.000 2.349 6161 N HA 0.206 4.946 4.740 -0.000 0.000 0.216 6161 N C 0.368 175.930 175.510 0.087 0.000 1.025 6161 N CA -0.204 52.923 53.050 0.129 0.000 1.074 6161 N CB -0.087 38.453 38.487 0.090 0.000 1.323 6161 N HN 0.317 nan 8.380 nan 0.000 0.560 6162 R N 1.969 122.505 120.500 0.060 0.000 2.375 6162 R HA -0.178 4.162 4.340 -0.000 0.000 0.294 6162 R C -1.199 175.121 176.300 0.033 0.000 1.050 6162 R CA 0.616 56.740 56.100 0.039 0.000 0.957 6162 R CB -1.041 29.277 30.300 0.029 0.000 2.594 6162 R HN 0.497 nan 8.270 nan 0.000 0.518 6163 R N 0.620 121.144 120.500 0.040 0.000 2.740 6163 R HA 0.621 4.961 4.340 -0.000 0.000 0.273 6163 R C -1.161 175.158 176.300 0.032 0.000 0.998 6163 R CA -1.003 55.114 56.100 0.028 0.000 0.900 6163 R CB 1.465 31.801 30.300 0.061 0.000 1.223 6163 R HN 0.192 nan 8.270 nan 0.000 0.466 6164 T N 3.308 117.872 114.554 0.015 0.000 2.758 6164 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 6164 T C 0.287 175.012 174.700 0.042 0.000 0.981 6164 T CA -0.755 61.362 62.100 0.028 0.000 0.965 6164 T CB 0.516 69.394 68.868 0.016 0.000 0.927 6164 T HN 0.518 nan 8.240 nan 0.000 0.448 6165 I N 1.524 122.145 120.570 0.085 0.000 2.312 6165 I HA 0.560 4.730 4.170 -0.000 0.000 0.290 6165 I C -0.761 175.438 176.117 0.136 0.000 1.008 6165 I CA -0.918 60.471 61.300 0.148 0.000 1.226 6165 I CB 0.669 38.810 38.000 0.235 0.000 1.371 6165 I HN 0.358 nan 8.210 nan 0.000 0.468 6166 N N 6.243 125.020 118.700 0.130 0.000 2.501 6166 N HA 0.309 5.049 4.740 -0.000 0.000 0.245 6166 N C -1.127 174.435 175.510 0.087 0.000 0.974 6166 N CA -0.783 52.304 53.050 0.061 0.000 0.941 6166 N CB 1.395 39.910 38.487 0.048 0.000 1.122 6166 N HN 0.532 nan 8.380 nan 0.000 0.507 6167 K N 2.223 122.650 120.400 0.045 0.000 2.273 6167 K HA 0.147 4.467 4.320 -0.000 0.000 0.287 6167 K C -0.063 176.463 176.600 -0.124 0.000 1.089 6167 K CA -0.221 56.087 56.287 0.035 0.000 0.909 6167 K CB 0.665 33.237 32.500 0.121 0.000 1.123 6167 K HN 0.597 nan 8.250 nan 0.000 0.473 6168 Y N 1.341 121.394 120.300 -0.412 0.000 2.177 6168 Y HA -0.012 4.538 4.550 -0.000 0.000 0.291 6168 Y C 0.590 176.215 175.900 -0.459 0.000 1.117 6168 Y CA 0.669 58.432 58.100 -0.562 0.000 1.114 6168 Y CB 0.291 38.158 38.460 -0.988 0.000 1.017 6168 Y HN 0.376 nan 8.280 nan 0.000 0.505 6169 F N 1.412 121.350 119.950 -0.020 0.000 2.293 6169 F HA 0.489 5.016 4.527 -0.000 0.000 0.370 6169 F C -0.444 175.299 175.800 -0.095 0.000 1.090 6169 F CA -0.899 57.041 58.000 -0.100 0.000 1.133 6169 F CB 0.689 39.615 39.000 -0.123 0.000 1.360 6169 F HN -0.304 nan 8.300 nan 0.000 0.489 6170 V N 0.693 120.655 119.914 0.080 0.000 3.216 6170 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 6170 V C -2.538 173.550 176.094 -0.010 0.000 1.286 6170 V CA -2.270 60.062 62.300 0.052 0.000 1.048 6170 V CB 1.776 33.656 31.823 0.094 0.000 1.081 6170 V HN 0.136 nan 8.190 nan 0.000 0.442 6171 P HA -0.225 nan 4.420 nan 0.000 0.219 6171 P C 0.861 178.132 177.300 -0.049 0.000 1.161 6171 P CA 2.444 65.511 63.100 -0.054 0.000 0.909 6171 P CB -0.048 31.638 31.700 -0.023 0.000 0.793 6172 D N -1.315 119.075 120.400 -0.017 0.000 2.378 6172 D HA -0.068 4.572 4.640 -0.000 0.000 0.227 6172 D C 1.612 177.895 176.300 -0.028 0.000 1.012 6172 D CA 0.438 54.427 54.000 -0.018 0.000 0.905 6172 D CB -0.805 39.994 40.800 -0.001 0.000 0.895 6172 D HN 0.188 nan 8.370 nan 0.000 0.532 6173 V N -0.503 119.390 119.914 -0.035 0.000 3.151 6173 V HA 0.336 4.456 4.120 -0.000 0.000 0.241 6173 V C 0.356 176.422 176.094 -0.046 0.000 1.173 6173 V CA 0.710 62.989 62.300 -0.036 0.000 1.154 6173 V CB 0.247 32.050 31.823 -0.033 0.000 0.898 6173 V HN 0.361 nan 8.190 nan 0.000 0.473 6174 L N -1.909 119.263 121.223 -0.086 0.000 3.041 6174 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 6174 L C -1.430 175.271 176.870 -0.281 0.000 1.051 6174 L CA -0.982 53.764 54.840 -0.158 0.000 0.957 6174 L CB 1.739 43.701 42.059 -0.161 0.000 1.538 6174 L HN -0.018 nan 8.230 nan 0.000 0.393 6175 E N 0.746 120.685 120.200 -0.436 0.000 2.179 6175 E HA 0.652 5.002 4.350 -0.000 0.000 0.275 6175 E C -1.096 174.934 176.600 -0.949 0.000 0.945 6175 E CA -0.416 55.552 56.400 -0.720 0.000 0.792 6175 E CB 2.176 31.268 29.700 -1.013 0.000 1.125 6175 E HN 0.765 nan 8.360 nan 0.000 0.397 6176 T N -1.841 112.260 114.554 -0.755 0.000 2.843 6176 T HA 0.247 4.597 4.350 -0.000 0.000 0.302 6176 T C 0.647 175.277 174.700 -0.117 0.000 1.232 6176 T CA -0.796 61.043 62.100 -0.435 0.000 1.009 6176 T CB 0.741 69.344 68.868 -0.441 0.000 1.254 6176 T HN 0.544 nan 8.240 nan 0.000 0.504 6177 C N 0.092 119.471 119.300 0.132 0.000 2.518 6177 C HA 0.119 4.579 4.460 -0.000 0.000 0.279 6177 C C 2.505 177.500 174.990 0.008 0.000 1.279 6177 C CA 0.624 59.714 59.018 0.120 0.000 1.703 6177 C CB -0.960 26.814 27.740 0.057 0.000 2.072 6177 C HN 0.949 nan 8.230 nan 0.000 0.487 6178 Q N -1.536 118.258 119.800 -0.010 0.000 2.563 6178 Q HA 0.235 4.575 4.340 -0.000 0.000 0.236 6178 Q C 0.020 176.023 176.000 0.005 0.000 0.792 6178 Q CA -0.398 55.397 55.803 -0.013 0.000 0.960 6178 Q CB -0.112 28.606 28.738 -0.033 0.000 1.304 6178 Q HN 0.316 nan 8.270 nan 0.000 0.566 6179 L N 1.971 123.196 121.223 0.002 0.000 2.578 6179 L HA 0.008 4.348 4.340 -0.000 0.000 0.279 6179 L C -0.809 176.084 176.870 0.038 0.000 1.227 6179 L CA 1.167 56.018 54.840 0.018 0.000 0.900 6179 L CB 0.590 42.656 42.059 0.012 0.000 1.144 6179 L HN -0.050 nan 8.230 nan 0.000 0.496 6180 S N 6.229 121.983 115.700 0.090 0.000 2.672 6180 S HA 0.741 5.211 4.470 -0.000 0.000 0.291 6180 S C -0.605 174.028 174.600 0.054 0.000 1.145 6180 S CA -0.661 57.619 58.200 0.134 0.000 1.013 6180 S CB 1.306 64.638 63.200 0.219 0.000 1.017 6180 S HN 0.604 nan 8.310 nan 0.000 0.487 6181 M N 1.967 121.480 119.600 -0.145 0.000 2.550 6181 M HA 0.778 5.258 4.480 -0.000 0.000 0.292 6181 M C 0.045 175.544 176.300 -1.335 0.000 1.221 6181 M CA -0.561 54.350 55.300 -0.649 0.000 0.873 6181 M CB 2.729 35.199 32.600 -0.216 0.000 1.727 6181 M HN 0.779 nan 8.290 nan 0.000 0.459 6182 G N 0.921 108.408 108.800 -2.188 0.000 2.649 6182 G HA2 0.732 4.692 3.960 -0.000 0.000 0.290 6182 G HA3 0.732 4.692 3.960 -0.000 0.000 0.290 6182 G C -2.582 171.602 174.900 -1.193 0.000 1.426 6182 G CA -0.718 43.374 45.100 -1.681 0.000 0.794 6182 G HN 0.733 nan 8.290 nan 0.000 0.483 6183 L N 0.559 121.535 121.223 -0.411 0.000 2.376 6183 L HA 0.759 5.099 4.340 -0.000 0.000 0.275 6183 L C -0.754 176.072 176.870 -0.075 0.000 0.987 6183 L CA -0.417 54.296 54.840 -0.212 0.000 0.828 6183 L CB 2.092 44.109 42.059 -0.070 0.000 1.249 6183 L HN 0.524 nan 8.230 nan 0.000 0.409 6184 T N 3.654 118.032 114.554 -0.292 0.000 2.792 6184 T HA 0.354 4.704 4.350 -0.000 0.000 0.280 6184 T C -0.978 173.489 174.700 -0.389 0.000 0.990 6184 T CA -0.330 61.571 62.100 -0.332 0.000 0.960 6184 T CB 1.531 70.074 68.868 -0.540 0.000 0.939 6184 T HN 0.605 nan 8.240 nan 0.000 0.439 6185 E N 3.280 123.372 120.200 -0.179 0.000 2.199 6185 E HA 0.446 4.796 4.350 -0.000 0.000 0.265 6185 E C -0.845 175.683 176.600 -0.120 0.000 0.882 6185 E CA -0.635 55.669 56.400 -0.160 0.000 0.759 6185 E CB 0.931 30.575 29.700 -0.093 0.000 1.148 6185 E HN 0.506 nan 8.360 nan 0.000 0.412 6186 L N 3.194 124.306 121.223 -0.184 0.000 2.331 6186 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 6186 L C 0.326 177.134 176.870 -0.104 0.000 1.106 6186 L CA -0.555 54.193 54.840 -0.153 0.000 0.824 6186 L CB 1.115 42.989 42.059 -0.307 0.000 1.142 6186 L HN 0.633 nan 8.230 nan 0.000 0.443 6187 A N 6.155 128.946 122.820 -0.048 0.000 2.454 6187 A HA 0.381 4.701 4.320 -0.000 0.000 0.260 6187 A C -2.170 175.399 177.584 -0.025 0.000 1.106 6187 A CA -1.178 50.843 52.037 -0.027 0.000 0.780 6187 A CB -0.461 18.535 19.000 -0.006 0.000 1.044 6187 A HN 0.464 nan 8.150 nan 0.000 0.498 6188 P HA 0.049 nan 4.420 nan 0.000 0.264 6188 P C 1.198 178.498 177.300 0.000 0.000 1.156 6188 P CA 2.293 65.386 63.100 -0.011 0.000 0.756 6188 P CB 0.377 32.075 31.700 -0.003 0.000 0.764 6189 G N 1.685 110.489 108.800 0.007 0.000 2.234 6189 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 6189 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 6189 G C 0.181 175.100 174.900 0.032 0.000 0.997 6189 G CA -0.413 44.698 45.100 0.018 0.000 0.623 6189 G HN 0.600 nan 8.290 nan 0.000 0.514 6190 N N 0.133 118.848 118.700 0.024 0.000 2.443 6190 N HA 0.675 5.415 4.740 -0.000 0.000 0.295 6190 N C 0.652 176.184 175.510 0.036 0.000 1.076 6190 N CA -0.136 52.944 53.050 0.050 0.000 0.919 6190 N CB 1.445 39.955 38.487 0.039 0.000 1.176 6190 N HN 0.208 nan 8.380 nan 0.000 0.487 6191 L N -0.450 120.827 121.223 0.090 0.000 3.360 6191 L HA 0.385 4.725 4.340 -0.000 0.000 0.303 6191 L C -0.650 176.218 176.870 -0.003 0.000 1.218 6191 L CA -0.299 54.566 54.840 0.041 0.000 1.059 6191 L CB 0.344 42.370 42.059 -0.056 0.000 1.468 6191 L HN 0.371 nan 8.230 nan 0.000 0.614 6192 W N 1.629 122.997 121.300 0.113 0.000 2.606 6192 W HA 0.315 4.975 4.660 0.000 0.000 0.332 6192 W C 0.844 177.454 176.519 0.151 0.000 1.052 6192 W CA -0.534 56.881 57.345 0.118 0.000 1.223 6192 W CB 0.965 30.455 29.460 0.050 0.000 1.383 6192 W HN 0.018 nan 8.180 nan 0.000 0.524 6193 N N 1.070 120.033 118.700 0.438 0.000 2.380 6193 N HA 0.320 5.060 4.740 -0.000 0.000 0.255 6193 N C -0.662 175.044 175.510 0.326 0.000 1.158 6193 N CA -0.260 53.037 53.050 0.412 0.000 0.878 6193 N CB 0.346 39.121 38.487 0.481 0.000 1.138 6193 N HN 0.359 nan 8.380 nan 0.000 0.509 6204 M N 0.314 119.934 119.600 0.032 0.000 2.368 6204 M HA 0.745 5.225 4.480 -0.000 0.000 0.311 6204 M C -0.665 175.632 176.300 -0.005 0.000 1.168 6204 M CA 0.333 55.630 55.300 -0.005 0.000 1.044 6204 M CB 1.392 33.990 32.600 -0.002 0.000 1.506 6204 M HN 0.387 nan 8.290 nan 0.000 0.475 6205 E N -0.040 120.142 120.200 -0.030 0.000 2.446 6205 E HA 0.831 5.181 4.350 -0.000 0.000 0.276 6205 E C -1.702 174.955 176.600 0.095 0.000 0.969 6205 E CA -1.014 55.398 56.400 0.019 0.000 0.800 6205 E CB 2.788 32.476 29.700 -0.021 0.000 1.341 6205 E HN 0.572 nan 8.360 nan 0.000 0.460 6206 V N 1.578 121.542 119.914 0.084 0.000 2.760 6206 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 6206 V C -1.647 174.471 176.094 0.040 0.000 1.077 6206 V CA -0.824 61.552 62.300 0.127 0.000 0.910 6206 V CB 1.246 33.120 31.823 0.085 0.000 1.008 6206 V HN 0.564 nan 8.190 nan 0.000 0.424 6207 Y N 3.728 124.026 120.300 -0.002 0.000 2.361 6207 Y HA 0.628 5.178 4.550 -0.000 0.000 0.337 6207 Y C -0.660 175.122 175.900 -0.196 0.000 0.965 6207 Y CA -1.072 56.968 58.100 -0.101 0.000 1.091 6207 Y CB 2.054 40.333 38.460 -0.303 0.000 1.182 6207 Y HN 0.640 nan 8.280 nan 0.000 0.450 6208 F N 4.455 124.234 119.950 -0.284 0.000 2.427 6208 F HA 0.557 5.084 4.527 -0.000 0.000 0.348 6208 F C -1.636 174.052 175.800 -0.187 0.000 1.125 6208 F CA -1.078 56.707 58.000 -0.358 0.000 0.989 6208 F CB 0.531 38.979 39.000 -0.919 0.000 1.165 6208 F HN 0.372 nan 8.300 nan 0.000 0.442 6209 Y N 7.672 127.678 120.300 -0.491 0.000 2.350 6209 Y HA 0.446 4.996 4.550 -0.000 0.000 0.340 6209 Y C -0.318 175.300 175.900 -0.471 0.000 1.006 6209 Y CA -0.582 57.323 58.100 -0.324 0.000 1.166 6209 Y CB 0.612 38.887 38.460 -0.308 0.000 1.168 6209 Y HN 0.571 nan 8.280 nan 0.000 0.502 6210 F N -0.764 119.074 119.950 -0.188 0.000 2.894 6210 F HA 0.513 5.040 4.527 -0.000 0.000 0.332 6210 F C 0.114 175.962 175.800 0.080 0.000 1.192 6210 F CA -2.111 55.824 58.000 -0.109 0.000 0.980 6210 F CB 0.557 39.535 39.000 -0.037 0.000 1.448 6210 F HN 0.257 nan 8.300 nan 0.000 0.514 6211 N N 0.928 119.791 118.700 0.272 0.000 2.714 6211 N HA -0.208 4.532 4.740 -0.000 0.000 0.253 6211 N C -1.313 174.237 175.510 0.067 0.000 1.024 6211 N CA 1.283 54.428 53.050 0.158 0.000 0.726 6211 N CB -0.859 37.661 38.487 0.054 0.000 0.908 6211 N HN 0.887 nan 8.380 nan 0.000 0.542 6212 M N -1.798 117.854 119.600 0.087 0.000 2.378 6212 M HA 0.497 4.977 4.480 -0.000 0.000 0.289 6212 M C -0.779 175.558 176.300 0.061 0.000 1.136 6212 M CA -1.034 54.304 55.300 0.065 0.000 0.917 6212 M CB 1.588 34.219 32.600 0.052 0.000 1.669 6212 M HN -0.247 nan 8.290 nan 0.000 0.461 6213 D N 2.332 122.762 120.400 0.050 0.000 2.405 6213 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 6213 D C 0.594 176.923 176.300 0.048 0.000 1.240 6213 D CA 0.357 54.384 54.000 0.045 0.000 0.881 6213 D CB 0.715 41.536 40.800 0.035 0.000 1.222 6213 D HN 0.600 nan 8.370 nan 0.000 0.482 6214 D N -0.038 120.389 120.400 0.046 0.000 2.183 6214 D HA -0.131 4.508 4.640 -0.000 0.000 0.203 6214 D C 1.284 177.619 176.300 0.058 0.000 0.969 6214 D CA 0.937 54.966 54.000 0.049 0.000 0.842 6214 D CB 0.085 40.905 40.800 0.033 0.000 0.957 6214 D HN 0.504 nan 8.370 nan 0.000 0.484 6215 D N 1.053 121.480 120.400 0.046 0.000 2.249 6215 D HA 0.017 4.657 4.640 -0.000 0.000 0.205 6215 D C 0.909 177.238 176.300 0.047 0.000 0.962 6215 D CA 0.105 54.134 54.000 0.048 0.000 0.860 6215 D CB -0.350 40.468 40.800 0.031 0.000 0.955 6215 D HN 0.003 nan 8.370 nan 0.000 0.505 6216 A N -0.072 122.763 122.820 0.025 0.000 2.406 6216 A HA 0.531 4.851 4.320 -0.000 0.000 0.243 6216 A C 0.700 178.223 177.584 -0.102 0.000 1.082 6216 A CA 0.044 52.066 52.037 -0.025 0.000 0.786 6216 A CB 0.090 19.080 19.000 -0.018 0.000 1.029 6216 A HN 0.757 nan 8.150 nan 0.000 0.495 6217 C N -1.651 117.512 119.300 -0.229 0.000 3.336 6217 C HA 0.838 5.298 4.460 -0.000 0.000 0.339 6217 C C -0.971 173.693 174.990 -0.544 0.000 1.468 6217 C CA -0.637 58.086 59.018 -0.491 0.000 1.287 6217 C CB 0.803 28.101 27.740 -0.737 0.000 1.682 6217 C HN 0.906 nan 8.230 nan 0.000 0.451 6218 V N 0.822 120.275 119.914 -0.768 0.000 2.686 6218 V HA 0.483 4.603 4.120 -0.000 0.000 0.306 6218 V C -1.232 174.374 176.094 -0.813 0.000 1.065 6218 V CA -0.051 61.748 62.300 -0.835 0.000 0.894 6218 V CB 1.656 32.678 31.823 -1.336 0.000 1.004 6218 V HN 0.750 nan 8.190 nan 0.000 0.424 6219 F N 4.084 123.697 119.950 -0.562 0.000 2.375 6219 F HA 0.350 4.877 4.527 -0.000 0.000 0.362 6219 F C 0.694 176.267 175.800 -0.379 0.000 1.129 6219 F CA -0.132 57.605 58.000 -0.439 0.000 1.154 6219 F CB 0.245 38.954 39.000 -0.485 0.000 1.205 6219 F HN 0.499 nan 8.300 nan 0.000 0.513 6220 H N 5.812 124.714 119.070 -0.280 0.000 2.723 6220 H HA 0.262 4.818 4.556 -0.000 0.000 0.294 6220 H C -0.452 174.840 175.328 -0.061 0.000 1.079 6220 H CA -0.667 55.257 56.048 -0.207 0.000 1.411 6220 H CB 0.815 30.466 29.762 -0.185 0.000 1.439 6220 H HN 0.342 nan 8.280 nan 0.000 0.474 6221 M N 7.040 126.380 119.600 -0.434 0.000 2.185 6221 M HA 0.211 4.691 4.480 -0.000 0.000 0.357 6221 M C 0.298 176.452 176.300 -0.243 0.000 1.260 6221 M CA -0.079 55.099 55.300 -0.204 0.000 1.124 6221 M CB 0.469 32.998 32.600 -0.119 0.000 1.600 6221 M HN 0.699 nan 8.290 nan 0.000 0.467 6222 M N 0.696 120.249 119.600 -0.079 0.000 3.079 6222 M HA 0.969 5.449 4.480 -0.000 0.000 0.277 6222 M C -0.100 176.195 176.300 -0.008 0.000 1.317 6222 M CA -0.389 54.867 55.300 -0.073 0.000 0.793 6222 M CB 2.228 34.761 32.600 -0.112 0.000 1.690 6222 M HN 0.763 nan 8.290 nan 0.000 0.451 6223 G N 0.541 109.376 108.800 0.059 0.000 2.661 6223 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.685 6223 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.685 6223 G C -1.550 173.517 174.900 0.280 0.000 1.298 6223 G CA -0.692 44.569 45.100 0.268 0.000 0.855 6223 G HN 1.038 nan 8.290 nan 0.000 0.560 6224 Q N 1.251 121.228 119.800 0.296 0.000 2.432 6224 Q HA 0.232 4.572 4.340 -0.000 0.000 0.264 6224 Q C -0.979 175.079 176.000 0.096 0.000 1.035 6224 Q CA -0.787 55.139 55.803 0.205 0.000 0.908 6224 Q CB 0.970 29.769 28.738 0.101 0.000 1.280 6224 Q HN 0.439 nan 8.270 nan 0.000 0.455 6225 P HA -0.256 nan 4.420 nan 0.000 0.218 6225 P C 0.473 177.782 177.300 0.014 0.000 1.146 6225 P CA 1.545 64.656 63.100 0.018 0.000 0.820 6225 P CB 0.377 32.080 31.700 0.004 0.000 0.778 6226 Q N -1.027 118.785 119.800 0.021 0.000 2.391 6226 Q HA 0.076 4.416 4.340 -0.000 0.000 0.211 6226 Q C 0.818 176.827 176.000 0.015 0.000 0.908 6226 Q CA 0.745 56.556 55.803 0.012 0.000 0.920 6226 Q CB 0.350 29.092 28.738 0.007 0.000 1.056 6226 Q HN 0.343 nan 8.270 nan 0.000 0.523 6227 E N 2.079 122.294 120.200 0.025 0.000 3.351 6227 E HA 0.116 4.466 4.350 -0.000 0.000 0.220 6227 E C -0.404 176.220 176.600 0.039 0.000 1.150 6227 E CA -0.110 56.305 56.400 0.024 0.000 1.359 6227 E CB 0.568 30.276 29.700 0.014 0.000 1.365 6227 E HN 0.193 nan 8.360 nan 0.000 0.434 6228 T N -0.554 114.020 114.554 0.033 0.000 2.907 6228 T HA 0.465 4.815 4.350 -0.000 0.000 0.298 6228 T C 0.474 175.187 174.700 0.021 0.000 1.017 6228 T CA -0.646 61.474 62.100 0.034 0.000 1.118 6228 T CB 1.588 70.474 68.868 0.030 0.000 0.948 6228 T HN -0.001 nan 8.240 nan 0.000 0.531 6229 R N 1.283 121.789 120.500 0.010 0.000 2.905 6229 R HA 0.536 4.876 4.340 -0.000 0.000 0.260 6229 R C -0.762 175.535 176.300 -0.004 0.000 1.086 6229 R CA -0.835 55.235 56.100 -0.050 0.000 0.978 6229 R CB 1.350 31.616 30.300 -0.057 0.000 1.215 6229 R HN 1.053 nan 8.270 nan 0.000 0.480 6230 H N -1.938 117.160 119.070 0.047 0.000 2.821 6230 H HA 0.682 5.238 4.556 -0.000 0.000 0.373 6230 H C -0.804 174.545 175.328 0.035 0.000 1.165 6230 H CA -0.860 55.217 56.048 0.048 0.000 1.154 6230 H CB 1.315 31.146 29.762 0.115 0.000 1.765 6230 H HN 0.421 nan 8.280 nan 0.000 0.549 6231 I N 2.405 123.097 120.570 0.204 0.000 2.418 6231 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 6231 I C -0.576 175.501 176.117 -0.068 0.000 1.008 6231 I CA -1.315 60.041 61.300 0.093 0.000 1.104 6231 I CB 2.126 40.167 38.000 0.068 0.000 1.264 6231 I HN 0.410 nan 8.210 nan 0.000 0.438 6232 V N 7.284 127.098 119.914 -0.166 0.000 2.508 6232 V HA 0.261 4.381 4.120 -0.000 0.000 0.281 6232 V C 0.297 176.138 176.094 -0.422 0.000 1.041 6232 V CA 0.199 62.180 62.300 -0.532 0.000 1.016 6232 V CB 0.613 32.124 31.823 -0.520 0.000 0.984 6232 V HN 0.642 nan 8.190 nan 0.000 0.478 6233 M N 4.668 123.911 119.600 -0.595 0.000 2.326 6233 M HA 0.521 5.001 4.480 -0.000 0.000 0.306 6233 M C -0.846 175.104 176.300 -0.584 0.000 1.054 6233 M CA -0.512 54.527 55.300 -0.435 0.000 0.922 6233 M CB 2.118 34.519 32.600 -0.332 0.000 1.632 6233 M HN 0.697 nan 8.290 nan 0.000 0.436 6234 H N 0.053 119.007 119.070 -0.193 0.000 2.570 6234 H HA 0.334 4.890 4.556 -0.000 0.000 0.342 6234 H C -0.290 174.971 175.328 -0.111 0.000 1.245 6234 H CA -0.566 55.392 56.048 -0.151 0.000 1.318 6234 H CB 0.594 30.297 29.762 -0.099 0.000 1.694 6234 H HN 0.548 nan 8.280 nan 0.000 0.592 6235 N N 1.227 119.965 118.700 0.063 0.000 2.293 6235 N HA -0.124 4.616 4.740 -0.000 0.000 0.253 6235 N C -0.764 174.765 175.510 0.032 0.000 1.248 6235 N CA 0.601 53.675 53.050 0.039 0.000 0.845 6235 N CB 0.037 38.575 38.487 0.086 0.000 1.073 6235 N HN 0.690 nan 8.380 nan 0.000 0.464 6236 E N -0.164 119.988 120.200 -0.080 0.000 2.246 6236 E HA -0.288 4.062 4.350 -0.000 0.000 0.211 6236 E C -1.012 175.569 176.600 -0.031 0.000 1.278 6236 E CA 0.614 56.937 56.400 -0.127 0.000 0.694 6236 E CB -0.902 28.993 29.700 0.325 0.000 1.166 6236 E HN 0.644 nan 8.360 nan 0.000 0.370 6237 Q N -0.835 118.836 119.800 -0.215 0.000 2.495 6237 Q HA 0.848 5.187 4.340 -0.000 0.000 0.287 6237 Q C -0.894 175.156 176.000 0.083 0.000 1.078 6237 Q CA -0.590 55.238 55.803 0.041 0.000 0.793 6237 Q CB 2.444 31.203 28.738 0.036 0.000 1.459 6237 Q HN 0.187 nan 8.270 nan 0.000 0.422 6238 A N 0.539 123.468 122.820 0.182 0.000 2.469 6238 A HA 0.883 5.203 4.320 -0.000 0.000 0.299 6238 A C -1.094 176.542 177.584 0.087 0.000 1.098 6238 A CA -0.638 51.505 52.037 0.177 0.000 0.737 6238 A CB 1.595 20.770 19.000 0.291 0.000 1.312 6238 A HN 0.452 nan 8.150 nan 0.000 0.414 6239 V N -0.490 119.449 119.914 0.043 0.000 2.709 6239 V HA 0.607 4.727 4.120 -0.000 0.000 0.308 6239 V C -0.739 175.391 176.094 0.059 0.000 1.062 6239 V CA -0.862 61.439 62.300 0.002 0.000 0.901 6239 V CB 1.569 33.249 31.823 -0.239 0.000 1.003 6239 V HN 0.643 nan 8.190 nan 0.000 0.425 6240 I N 2.850 123.499 120.570 0.132 0.000 2.352 6240 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 6240 I C 0.616 176.797 176.117 0.108 0.000 1.036 6240 I CA 0.413 61.801 61.300 0.147 0.000 1.336 6240 I CB 1.198 39.320 38.000 0.203 0.000 1.407 6240 I HN 0.869 nan 8.210 nan 0.000 0.497 6241 S N 9.402 125.127 115.700 0.041 0.000 2.488 6241 S HA 0.431 4.901 4.470 -0.000 0.000 0.310 6241 S C -2.199 172.311 174.600 -0.151 0.000 1.093 6241 S CA -1.433 56.730 58.200 -0.062 0.000 1.129 6241 S CB 0.377 63.581 63.200 0.007 0.000 0.989 6241 S HN 0.376 nan 8.310 nan 0.000 0.479 6242 P HA 0.068 nan 4.420 nan 0.000 0.270 6242 P C 0.746 177.762 177.300 -0.473 0.000 1.227 6242 P CA -0.057 62.776 63.100 -0.444 0.000 0.788 6242 P CB 0.475 31.701 31.700 -0.789 0.000 0.926 6243 S N 0.792 116.311 115.700 -0.303 0.000 2.372 6243 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 6243 S C 1.572 176.142 174.600 -0.050 0.000 1.044 6243 S CA 1.627 59.769 58.200 -0.096 0.000 1.050 6243 S CB -0.815 62.405 63.200 0.034 0.000 0.901 6243 S HN 0.720 nan 8.310 nan 0.000 0.447 6244 W N 1.694 123.038 121.300 0.074 0.000 3.077 6244 W HA 0.452 5.111 4.660 -0.000 0.000 0.245 6244 W C 0.651 177.194 176.519 0.040 0.000 1.316 6244 W CA -0.014 57.358 57.345 0.045 0.000 1.537 6244 W CB -0.674 28.796 29.460 0.016 0.000 1.131 6244 W HN 0.207 nan 8.180 nan 0.000 0.695 6245 S N 0.926 116.517 115.700 -0.182 0.000 2.690 6245 S HA 0.585 5.055 4.470 -0.000 0.000 0.291 6245 S C -0.006 174.579 174.600 -0.024 0.000 1.138 6245 S CA -0.662 57.478 58.200 -0.100 0.000 1.013 6245 S CB 1.177 64.081 63.200 -0.493 0.000 1.053 6245 S HN -0.005 nan 8.310 nan 0.000 0.539 6246 I N 2.730 123.253 120.570 -0.079 0.000 2.783 6246 I HA 0.373 4.543 4.170 -0.000 0.000 0.312 6246 I C 0.124 176.084 176.117 -0.262 0.000 0.988 6246 I CA -0.450 60.677 61.300 -0.288 0.000 1.182 6246 I CB 0.930 38.817 38.000 -0.189 0.000 1.368 6246 I HN 0.787 nan 8.210 nan 0.000 0.511 6247 H N 0.851 119.820 119.070 -0.169 0.000 2.616 6247 H HA 0.457 5.013 4.556 -0.000 0.000 0.229 6247 H C -0.606 174.462 175.328 -0.435 0.000 1.418 6247 H CA -0.394 55.440 56.048 -0.357 0.000 1.248 6247 H CB 0.035 29.603 29.762 -0.324 0.000 1.822 6247 H HN 0.298 nan 8.280 nan 0.000 0.522 6248 S N 0.513 116.014 115.700 -0.331 0.000 2.687 6248 S HA 0.768 5.238 4.470 -0.000 0.000 0.283 6248 S C 0.768 175.180 174.600 -0.313 0.000 1.170 6248 S CA -0.310 57.800 58.200 -0.151 0.000 1.008 6248 S CB 1.991 65.233 63.200 0.070 0.000 1.026 6248 S HN 0.729 nan 8.310 nan 0.000 0.541 6249 G N 0.034 108.742 108.800 -0.154 0.000 2.746 6249 G HA2 0.578 4.538 3.960 -0.000 0.000 0.297 6249 G HA3 0.578 4.538 3.960 -0.000 0.000 0.297 6249 G C -1.645 172.992 174.900 -0.438 0.000 1.426 6249 G CA -0.538 44.370 45.100 -0.320 0.000 0.989 6249 G HN 0.638 nan 8.290 nan 0.000 0.520 6250 V N 0.298 119.828 119.914 -0.640 0.000 2.656 6250 V HA 0.922 5.042 4.120 -0.000 0.000 0.307 6250 V C 0.647 176.450 176.094 -0.484 0.000 1.051 6250 V CA -0.433 61.366 62.300 -0.834 0.000 0.893 6250 V CB 1.547 32.646 31.823 -1.207 0.000 0.999 6250 V HN 1.114 nan 8.190 nan 0.000 0.426 6251 G N 1.181 109.803 108.800 -0.297 0.000 2.454 6251 G HA2 0.510 4.470 3.960 -0.000 0.000 0.329 6251 G HA3 0.510 4.470 3.960 -0.000 0.000 0.329 6251 G C 0.528 175.370 174.900 -0.097 0.000 1.177 6251 G CA -0.091 44.882 45.100 -0.210 0.000 0.951 6251 G HN 0.632 nan 8.290 nan 0.000 0.485 6252 T N 0.068 114.578 114.554 -0.073 0.000 2.867 6252 T HA 0.075 4.425 4.350 -0.000 0.000 0.268 6252 T C 0.826 175.521 174.700 -0.009 0.000 1.057 6252 T CA 1.166 63.247 62.100 -0.032 0.000 1.136 6252 T CB -0.133 68.721 68.868 -0.024 0.000 0.874 6252 T HN 0.421 nan 8.240 nan 0.000 0.466 6253 K N -0.666 119.745 120.400 0.018 0.000 2.499 6253 K HA 0.690 5.010 4.320 -0.000 0.000 0.277 6253 K C -0.992 175.679 176.600 0.118 0.000 1.025 6253 K CA -1.008 55.307 56.287 0.047 0.000 0.900 6253 K CB 1.702 34.222 32.500 0.034 0.000 1.494 6253 K HN 0.053 nan 8.250 nan 0.000 0.442 6254 A N 0.621 123.484 122.820 0.073 0.000 2.507 6254 A HA 0.361 4.681 4.320 -0.000 0.000 0.235 6254 A C -0.832 176.825 177.584 0.120 0.000 1.070 6254 A CA 0.659 52.718 52.037 0.035 0.000 0.768 6254 A CB -0.459 18.527 19.000 -0.023 0.000 1.011 6254 A HN 0.655 nan 8.150 nan 0.000 0.502 6255 Y N -1.711 118.586 120.300 -0.006 0.000 2.689 6255 Y HA 0.725 5.275 4.550 -0.000 0.000 0.333 6255 Y C -0.435 175.455 175.900 -0.017 0.000 1.208 6255 Y CA -0.478 57.607 58.100 -0.025 0.000 1.055 6255 Y CB 0.825 39.285 38.460 0.001 0.000 1.304 6255 Y HN 0.914 nan 8.280 nan 0.000 0.455 6256 T N 0.982 115.498 114.554 -0.064 0.000 2.906 6256 T HA 0.840 5.190 4.350 -0.000 0.000 0.295 6256 T C -1.520 172.999 174.700 -0.302 0.000 1.075 6256 T CA -0.553 61.374 62.100 -0.289 0.000 1.005 6256 T CB 1.436 70.003 68.868 -0.501 0.000 1.136 6256 T HN 1.189 nan 8.240 nan 0.000 0.498 6257 F N 1.501 121.324 119.950 -0.213 0.000 2.645 6257 F HA 0.820 5.347 4.527 -0.000 0.000 0.310 6257 F C -1.764 174.138 175.800 0.170 0.000 1.102 6257 F CA -1.607 56.367 58.000 -0.043 0.000 0.952 6257 F CB 1.045 40.003 39.000 -0.070 0.000 1.326 6257 F HN 0.406 nan 8.300 nan 0.000 0.456 6258 I N 2.988 123.759 120.570 0.335 0.000 2.460 6258 I HA 0.321 4.491 4.170 -0.000 0.000 0.298 6258 I C -0.823 175.300 176.117 0.010 0.000 0.989 6258 I CA -0.905 60.388 61.300 -0.012 0.000 1.173 6258 I CB 1.362 39.294 38.000 -0.114 0.000 1.338 6258 I HN 0.878 nan 8.210 nan 0.000 0.456 6259 W N 4.008 125.243 121.300 -0.108 0.000 2.844 6259 W HA 0.831 5.491 4.660 0.000 0.000 0.340 6259 W C -0.667 175.735 176.519 -0.196 0.000 1.093 6259 W CA -1.425 55.744 57.345 -0.294 0.000 1.212 6259 W CB 1.543 30.779 29.460 -0.373 0.000 1.422 6259 W HN 0.607 nan 8.180 nan 0.000 0.515 6260 G N 2.244 111.079 108.800 0.058 0.000 2.667 6260 G HA2 0.800 4.760 3.960 -0.000 0.000 0.298 6260 G HA3 0.800 4.760 3.960 -0.000 0.000 0.298 6260 G C -1.327 173.658 174.900 0.141 0.000 1.377 6260 G CA -1.242 43.894 45.100 0.060 0.000 0.964 6260 G HN 0.695 nan 8.290 nan 0.000 0.493 6261 M N -0.122 119.574 119.600 0.161 0.000 2.682 6261 M HA 0.821 5.301 4.480 -0.000 0.000 0.272 6261 M C -1.090 175.272 176.300 0.103 0.000 1.232 6261 M CA -1.126 54.255 55.300 0.135 0.000 0.849 6261 M CB 2.105 34.818 32.600 0.189 0.000 1.695 6261 M HN 1.174 nan 8.290 nan 0.000 0.481 6262 V N -2.354 117.604 119.914 0.074 0.000 3.232 6262 V HA 1.077 5.196 4.120 -0.000 0.000 0.303 6262 V C -0.374 175.753 176.094 0.055 0.000 1.311 6262 V CA 0.500 62.831 62.300 0.053 0.000 1.061 6262 V CB 1.225 33.060 31.823 0.021 0.000 1.085 6262 V HN 1.563 nan 8.190 nan 0.000 0.447 6263 G N 0.542 109.371 108.800 0.048 0.000 2.294 6263 G HA2 0.171 4.131 3.960 -0.000 0.000 0.061 6263 G HA3 0.171 4.131 3.960 -0.000 0.000 0.061 6263 G C -0.031 174.899 174.900 0.050 0.000 0.835 6263 G CA 0.488 45.620 45.100 0.052 0.000 1.182 6263 G HN 0.715 nan 8.290 nan 0.000 0.449 6264 E N 0.907 121.140 120.200 0.055 0.000 2.372 6264 E HA 0.103 4.453 4.350 -0.000 0.000 0.201 6264 E C 0.918 177.547 176.600 0.048 0.000 0.938 6264 E CA 1.066 57.496 56.400 0.050 0.000 0.944 6264 E CB 0.573 30.303 29.700 0.050 0.000 0.937 6264 E HN 0.583 nan 8.360 nan 0.000 0.495 6265 N N -0.679 118.053 118.700 0.054 0.000 2.127 6265 N HA -0.046 4.694 4.740 -0.000 0.000 0.229 6265 N C -0.274 175.271 175.510 0.059 0.000 1.374 6265 N CA 0.065 53.145 53.050 0.051 0.000 0.763 6265 N CB -0.019 38.495 38.487 0.045 0.000 1.269 6265 N HN -0.139 nan 8.380 nan 0.000 0.516 6266 Q N -0.090 119.754 119.800 0.074 0.000 2.436 6266 Q HA -0.143 4.197 4.340 -0.000 0.000 0.264 6266 Q C -1.025 175.046 176.000 0.119 0.000 1.093 6266 Q CA 0.904 56.764 55.803 0.094 0.000 0.994 6266 Q CB -1.420 27.353 28.738 0.059 0.000 1.434 6266 Q HN 0.292 nan 8.270 nan 0.000 0.520 6267 V N 1.740 121.722 119.914 0.114 0.000 2.318 6267 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 6267 V C -0.028 176.153 176.094 0.145 0.000 1.030 6267 V CA -0.371 61.996 62.300 0.113 0.000 0.844 6267 V CB 0.361 32.221 31.823 0.062 0.000 1.015 6267 V HN 0.220 nan 8.190 nan 0.000 0.460 6268 F N 0.000 119.952 119.950 0.003 0.000 2.286 6268 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 6268 F CA 0.000 57.959 58.000 -0.068 0.000 1.383 6268 F CB 0.000 38.928 39.000 -0.120 0.000 1.145 6268 F HN 0.000 nan 8.300 nan 0.000 0.574