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 2hn9_1_B DATA FIRST_RESID 6004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAXX XXXXXSHAVK IVVEAARRLL 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 6004 S HA 0.000 nan 4.470 nan 0.000 0.327 6004 S C 0.000 174.598 174.600 -0.003 0.000 1.055 6004 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 6004 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 6005 D N 1.486 121.888 120.400 0.003 0.000 2.323 6005 D HA 0.119 4.768 4.640 0.015 0.000 0.209 6005 D C 0.961 177.278 176.300 0.027 0.000 0.973 6005 D CA 1.396 55.405 54.000 0.015 0.000 0.874 6005 D CB 0.420 41.228 40.800 0.014 0.000 0.930 6005 D HN 0.567 nan 8.370 nan 0.000 0.521 6006 V N -2.800 117.129 119.914 0.024 0.000 3.040 6006 V HA 0.376 4.505 4.120 0.015 0.000 0.312 6006 V C 0.694 176.820 176.094 0.054 0.000 1.115 6006 V CA -1.063 61.269 62.300 0.052 0.000 0.998 6006 V CB 1.733 33.580 31.823 0.040 0.000 1.042 6006 V HN -0.103 nan 8.190 nan 0.000 0.433 6007 F N 0.593 120.494 119.950 -0.081 0.000 2.293 6007 F HA 0.063 4.598 4.527 0.014 0.000 0.297 6007 F C 1.928 177.534 175.800 -0.323 0.000 1.089 6007 F CA 2.056 59.933 58.000 -0.205 0.000 1.377 6007 F CB 0.256 39.108 39.000 -0.248 0.000 1.051 6007 F HN 0.826 nan 8.300 nan 0.000 0.511 6008 H N -0.882 118.074 119.070 -0.191 0.000 2.460 6008 H HA 0.191 4.756 4.556 0.015 0.000 0.297 6008 H C 1.999 177.206 175.328 -0.202 0.000 1.023 6008 H CA 1.049 56.941 56.048 -0.260 0.000 1.321 6008 H CB -0.114 29.519 29.762 -0.215 0.000 1.455 6008 H HN 0.117 nan 8.280 nan 0.000 0.539 6009 L N -0.326 120.859 121.223 -0.064 0.000 2.313 6009 L HA 0.128 4.477 4.340 0.015 0.000 0.214 6009 L C 1.066 177.981 176.870 0.076 0.000 1.119 6009 L CA 0.704 55.551 54.840 0.012 0.000 0.809 6009 L CB -0.329 41.713 42.059 -0.028 0.000 0.933 6009 L HN 0.542 nan 8.230 nan 0.000 0.449 6010 G N 1.336 110.066 108.800 -0.116 0.000 2.272 6010 G HA2 -0.259 3.709 3.960 0.015 0.000 0.280 6010 G HA3 -0.259 3.709 3.960 0.015 0.000 0.280 6010 G C -0.232 174.683 174.900 0.024 0.000 1.067 6010 G CA 0.054 45.068 45.100 -0.142 0.000 0.902 6010 G HN 0.247 nan 8.290 nan 0.000 0.500 6011 L N -0.220 121.008 121.223 0.008 0.000 2.354 6011 L HA 0.843 5.192 4.340 0.015 0.000 0.264 6011 L C 0.729 177.604 176.870 0.008 0.000 1.008 6011 L CA -0.638 54.214 54.840 0.020 0.000 0.819 6011 L CB 2.417 44.495 42.059 0.030 0.000 1.339 6011 L HN 0.358 nan 8.230 nan 0.000 0.420 6012 T N -3.302 111.257 114.554 0.007 0.000 2.950 6012 T HA 0.377 4.736 4.350 0.015 0.000 0.288 6012 T C 0.648 175.352 174.700 0.006 0.000 1.035 6012 T CA -0.904 61.200 62.100 0.005 0.000 1.028 6012 T CB 1.921 70.790 68.868 0.002 0.000 1.109 6012 T HN 0.528 nan 8.240 nan 0.000 0.514 6013 K N 0.394 120.798 120.400 0.006 0.000 2.152 6013 K HA -0.167 4.162 4.320 0.015 0.000 0.206 6013 K C 2.092 178.693 176.600 0.001 0.000 1.048 6013 K CA 1.516 57.806 56.287 0.005 0.000 0.933 6013 K CB -0.339 32.164 32.500 0.005 0.000 0.721 6013 K HN 0.627 nan 8.250 nan 0.000 0.447 6014 N N 1.714 120.414 118.700 -0.001 0.000 2.149 6014 N HA -0.179 4.569 4.740 0.015 0.000 0.188 6014 N C 1.117 176.623 175.510 -0.006 0.000 1.019 6014 N CA 1.571 54.619 53.050 -0.004 0.000 0.857 6014 N CB -0.084 38.400 38.487 -0.005 0.000 0.997 6014 N HN 0.100 nan 8.380 nan 0.000 0.426 6015 D N -0.416 119.980 120.400 -0.006 0.000 2.263 6015 D HA -0.111 4.537 4.640 0.015 0.000 0.208 6015 D C 1.532 177.829 176.300 -0.005 0.000 0.971 6015 D CA 0.598 54.593 54.000 -0.009 0.000 0.867 6015 D CB -0.026 40.769 40.800 -0.007 0.000 0.929 6015 D HN 0.309 nan 8.370 nan 0.000 0.492 6016 L N 0.373 121.596 121.223 -0.001 0.000 2.270 6016 L HA -0.002 4.347 4.340 0.015 0.000 0.210 6016 L C 0.857 177.725 176.870 -0.004 0.000 1.104 6016 L CA 0.563 55.403 54.840 -0.001 0.000 0.804 6016 L CB -0.281 41.775 42.059 -0.004 0.000 0.937 6016 L HN -0.079 nan 8.230 nan 0.000 0.450 6017 Q N -0.182 119.615 119.800 -0.005 0.000 2.475 6017 Q HA -0.258 4.091 4.340 0.015 0.000 0.280 6017 Q C 1.159 177.155 176.000 -0.006 0.000 1.234 6017 Q CA 0.910 56.711 55.803 -0.005 0.000 0.873 6017 Q CB -2.379 26.357 28.738 -0.003 0.000 1.256 6017 Q HN 0.671 nan 8.270 nan 0.000 0.475 6018 G N -1.766 107.029 108.800 -0.009 0.000 2.143 6018 G HA2 -0.237 3.732 3.960 0.015 0.000 0.249 6018 G HA3 -0.237 3.732 3.960 0.015 0.000 0.249 6018 G C 0.323 175.212 174.900 -0.019 0.000 0.981 6018 G CA 0.450 45.543 45.100 -0.012 0.000 0.665 6018 G HN 1.209 nan 8.290 nan 0.000 0.528 6019 A N -0.440 122.367 122.820 -0.021 0.000 2.477 6019 A HA 0.621 4.950 4.320 0.015 0.000 0.246 6019 A C 1.028 178.579 177.584 -0.056 0.000 1.078 6019 A CA 1.136 53.153 52.037 -0.033 0.000 0.770 6019 A CB 0.303 19.287 19.000 -0.027 0.000 1.011 6019 A HN 0.543 nan 8.150 nan 0.000 0.494 6020 Q N 0.901 120.657 119.800 -0.073 0.000 2.164 6020 Q HA 0.310 4.658 4.340 0.015 0.000 0.226 6020 Q C -0.546 175.352 176.000 -0.170 0.000 0.813 6020 Q CA -0.002 55.739 55.803 -0.104 0.000 0.978 6020 Q CB 0.742 29.437 28.738 -0.071 0.000 1.149 6020 Q HN 0.731 nan 8.270 nan 0.000 0.489 6021 L N 0.677 121.807 121.223 -0.154 0.000 2.365 6021 L HA 0.798 5.147 4.340 0.015 0.000 0.273 6021 L C -1.645 175.117 176.870 -0.179 0.000 1.000 6021 L CA -0.648 54.078 54.840 -0.189 0.000 0.819 6021 L CB 1.672 43.666 42.059 -0.109 0.000 1.284 6021 L HN -0.090 nan 8.230 nan 0.000 0.418 6022 A N 5.275 127.950 122.820 -0.241 0.000 2.356 6022 A HA 0.726 5.055 4.320 0.015 0.000 0.310 6022 A C -1.109 176.469 177.584 -0.009 0.000 1.075 6022 A CA -0.507 51.464 52.037 -0.111 0.000 0.746 6022 A CB 1.131 20.064 19.000 -0.111 0.000 1.221 6022 A HN 0.609 nan 8.150 nan 0.000 0.443 6023 I N 2.285 122.873 120.570 0.031 0.000 2.342 6023 I HA 0.350 4.529 4.170 0.015 0.000 0.291 6023 I C 0.052 176.223 176.117 0.090 0.000 1.010 6023 I CA -0.222 61.111 61.300 0.055 0.000 1.308 6023 I CB 1.824 39.842 38.000 0.030 0.000 1.400 6023 I HN 0.434 nan 8.210 nan 0.000 0.488 6024 V N 6.301 126.282 119.914 0.111 0.000 2.276 6024 V HA 0.567 4.696 4.120 0.015 0.000 0.268 6024 V C -2.526 173.617 176.094 0.082 0.000 1.032 6024 V CA -1.815 60.558 62.300 0.123 0.000 0.810 6024 V CB 0.259 32.187 31.823 0.174 0.000 1.060 6024 V HN 0.457 nan 8.190 nan 0.000 0.446 6025 P HA 0.324 nan 4.420 nan 0.000 0.277 6025 P C 0.945 178.270 177.300 0.042 0.000 1.271 6025 P CA 0.277 63.401 63.100 0.040 0.000 0.795 6025 P CB 1.720 33.432 31.700 0.020 0.000 1.101 6026 G N -0.631 108.183 108.800 0.022 0.000 2.441 6026 G HA2 -0.056 3.913 3.960 0.015 0.000 0.212 6026 G HA3 -0.056 3.913 3.960 0.015 0.000 0.212 6026 G C 0.244 175.140 174.900 -0.007 0.000 1.164 6026 G CA 0.392 45.498 45.100 0.011 0.000 0.811 6026 G HN 0.487 nan 8.290 nan 0.000 0.535 6027 D N 0.751 121.144 120.400 -0.012 0.000 2.316 6027 D HA 0.238 4.886 4.640 0.015 0.000 0.245 6027 D C -1.052 175.239 176.300 -0.015 0.000 1.171 6027 D CA -2.433 51.552 54.000 -0.025 0.000 0.856 6027 D CB 2.090 42.872 40.800 -0.030 0.000 1.090 6027 D HN 0.006 nan 8.370 nan 0.000 0.476 6028 P HA -0.153 nan 4.420 nan 0.000 0.218 6028 P C 0.639 177.943 177.300 0.006 0.000 1.148 6028 P CA 1.040 64.145 63.100 0.009 0.000 0.822 6028 P CB 0.383 32.078 31.700 -0.009 0.000 0.784 6029 E N -0.558 119.632 120.200 -0.016 0.000 2.338 6029 E HA -0.115 4.244 4.350 0.015 0.000 0.197 6029 E C 2.244 178.811 176.600 -0.056 0.000 1.007 6029 E CA 0.319 56.703 56.400 -0.028 0.000 0.849 6029 E CB -0.261 29.421 29.700 -0.030 0.000 0.774 6029 E HN 0.219 nan 8.360 nan 0.000 0.506 6030 R N 0.454 120.921 120.500 -0.055 0.000 2.210 6030 R HA -0.018 4.331 4.340 0.015 0.000 0.203 6030 R C 2.016 178.243 176.300 -0.120 0.000 1.010 6030 R CA 0.220 56.275 56.100 -0.076 0.000 1.008 6030 R CB 0.264 30.536 30.300 -0.047 0.000 0.923 6030 R HN 0.005 nan 8.270 nan 0.000 0.469 6031 V N 1.313 121.162 119.914 -0.108 0.000 2.287 6031 V HA -0.293 3.836 4.120 0.015 0.000 0.248 6031 V C 2.243 178.071 176.094 -0.444 0.000 1.053 6031 V CA 2.336 64.550 62.300 -0.145 0.000 1.027 6031 V CB -0.561 31.274 31.823 0.019 0.000 0.646 6031 V HN 0.468 nan 8.190 nan 0.000 0.447 6032 E N 0.335 120.128 120.200 -0.677 0.000 2.085 6032 E HA -0.276 4.083 4.350 0.015 0.000 0.194 6032 E C 2.242 178.435 176.600 -0.679 0.000 0.994 6032 E CA 1.596 57.289 56.400 -1.178 0.000 0.801 6032 E CB -0.090 29.111 29.700 -0.831 0.000 0.743 6032 E HN 0.614 nan 8.360 nan 0.000 0.453 6033 K N 0.107 120.279 120.400 -0.379 0.000 2.057 6033 K HA -0.142 4.187 4.320 0.015 0.000 0.207 6033 K C 2.131 178.609 176.600 -0.204 0.000 1.049 6033 K CA 1.330 57.473 56.287 -0.241 0.000 0.931 6033 K CB -0.054 32.352 32.500 -0.156 0.000 0.714 6033 K HN 0.238 nan 8.250 nan 0.000 0.440 6034 I N 1.074 121.528 120.570 -0.193 0.000 2.233 6034 I HA -0.151 4.027 4.170 0.015 0.000 0.243 6034 I C 2.492 178.531 176.117 -0.130 0.000 1.093 6034 I CA 1.181 62.404 61.300 -0.128 0.000 1.380 6034 I CB -1.525 36.423 38.000 -0.085 0.000 1.067 6034 I HN 0.067 nan 8.210 nan 0.000 0.413 6035 A N 1.002 123.706 122.820 -0.192 0.000 1.972 6035 A HA -0.047 4.282 4.320 0.015 0.000 0.219 6035 A C 2.429 179.947 177.584 -0.111 0.000 1.169 6035 A CA 1.680 53.643 52.037 -0.123 0.000 0.635 6035 A CB -0.674 18.256 19.000 -0.117 0.000 0.810 6035 A HN 0.410 nan 8.150 nan 0.000 0.446 6036 A N -0.664 122.037 122.820 -0.198 0.000 2.209 6036 A HA 0.204 4.533 4.320 0.015 0.000 0.212 6036 A C 1.788 179.326 177.584 -0.077 0.000 1.158 6036 A CA 0.858 52.817 52.037 -0.131 0.000 0.742 6036 A CB -0.481 18.414 19.000 -0.175 0.000 0.790 6036 A HN 0.472 nan 8.150 nan 0.000 0.472 6037 L N -1.284 119.894 121.223 -0.075 0.000 2.558 6037 L HA 0.174 4.523 4.340 0.015 0.000 0.225 6037 L C 0.968 177.819 176.870 -0.032 0.000 1.128 6037 L CA 0.080 54.889 54.840 -0.052 0.000 0.868 6037 L CB -0.266 41.759 42.059 -0.056 0.000 1.006 6037 L HN 0.391 nan 8.230 nan 0.000 0.454 6038 M N -1.682 117.905 119.600 -0.022 0.000 2.852 6038 M HA 0.327 4.816 4.480 0.015 0.000 0.301 6038 M C -0.743 175.564 176.300 0.011 0.000 1.229 6038 M CA -0.874 54.424 55.300 -0.003 0.000 0.832 6038 M CB 1.407 34.010 32.600 0.005 0.000 1.726 6038 M HN -0.193 nan 8.290 nan 0.000 0.497 6039 D N 0.981 121.392 120.400 0.017 0.000 2.313 6039 D HA 0.179 4.828 4.640 0.015 0.000 0.247 6039 D C -0.496 175.829 176.300 0.043 0.000 1.094 6039 D CA 0.015 54.030 54.000 0.024 0.000 0.925 6039 D CB 0.796 41.606 40.800 0.016 0.000 1.188 6039 D HN 0.433 nan 8.370 nan 0.000 0.430 6040 K N -0.074 120.354 120.400 0.047 0.000 3.490 6040 K HA -0.140 4.189 4.320 0.015 0.000 0.273 6040 K C -2.352 174.308 176.600 0.099 0.000 0.916 6040 K CA 0.090 56.413 56.287 0.059 0.000 0.718 6040 K CB -1.112 31.412 32.500 0.039 0.000 1.477 6040 K HN 0.332 nan 8.250 nan 0.000 0.452 6041 P HA 0.156 nan 4.420 nan 0.000 0.276 6041 P C -0.470 177.037 177.300 0.345 0.000 1.235 6041 P CA -0.169 63.106 63.100 0.293 0.000 0.772 6041 P CB 1.349 33.221 31.700 0.287 0.000 0.871 6042 V N 4.042 124.100 119.914 0.240 0.000 2.623 6042 V HA 0.273 4.402 4.120 0.015 0.000 0.304 6042 V C 0.421 176.154 176.094 -0.602 0.000 1.054 6042 V CA -0.921 61.294 62.300 -0.142 0.000 0.882 6042 V CB 2.057 33.825 31.823 -0.093 0.000 1.002 6042 V HN 0.488 nan 8.190 nan 0.000 0.424 6043 K N 3.389 122.960 120.400 -1.380 0.000 2.412 6043 K HA 0.367 4.696 4.320 0.015 0.000 0.281 6043 K C 0.143 176.332 176.600 -0.684 0.000 1.027 6043 K CA -0.100 55.194 56.287 -1.656 0.000 0.989 6043 K CB 0.737 32.362 32.500 -1.458 0.000 0.935 6043 K HN 0.628 nan 8.250 nan 0.000 0.475 6044 L N 2.510 123.448 121.223 -0.474 0.000 2.379 6044 L HA 0.348 4.697 4.340 0.015 0.000 0.190 6044 L C 0.511 177.294 176.870 -0.145 0.000 1.111 6044 L CA 0.097 54.809 54.840 -0.212 0.000 0.820 6044 L CB 0.151 42.154 42.059 -0.093 0.000 1.046 6044 L HN 0.704 nan 8.230 nan 0.000 0.485 6045 A N -1.056 121.702 122.820 -0.104 0.000 2.609 6045 A HA 0.671 5.000 4.320 0.015 0.000 0.291 6045 A C -1.216 176.312 177.584 -0.093 0.000 1.096 6045 A CA -0.298 51.696 52.037 -0.073 0.000 0.684 6045 A CB 1.856 20.918 19.000 0.103 0.000 1.282 6045 A HN -0.093 nan 8.150 nan 0.000 0.412 6046 S N 0.495 116.021 115.700 -0.290 0.000 2.776 6046 S HA 0.644 5.123 4.470 0.015 0.000 0.284 6046 S C -1.712 172.591 174.600 -0.495 0.000 1.160 6046 S CA -0.487 57.581 58.200 -0.220 0.000 1.051 6046 S CB 0.275 63.403 63.200 -0.120 0.000 1.037 6046 S HN 0.687 nan 8.310 nan 0.000 0.485 6047 H N 3.647 122.776 119.070 0.098 0.000 2.877 6047 H HA 0.505 5.070 4.556 0.015 0.000 0.347 6047 H C 0.526 175.925 175.328 0.118 0.000 1.042 6047 H CA -0.550 55.555 56.048 0.094 0.000 1.276 6047 H CB 1.482 31.303 29.762 0.098 0.000 1.681 6047 H HN 0.760 nan 8.280 nan 0.000 0.521 6048 R N 0.598 121.177 120.500 0.131 0.000 3.853 6048 R HA -0.230 4.119 4.340 0.015 0.000 0.440 6048 R C 1.055 177.261 176.300 -0.156 0.000 0.241 6048 R CA 1.917 58.012 56.100 -0.009 0.000 1.395 6048 R CB -0.783 29.526 30.300 0.016 0.000 0.984 6048 R HN 0.763 nan 8.270 nan 0.000 0.570 6049 E N 2.099 122.021 120.200 -0.463 0.000 2.437 6049 E HA 0.027 4.386 4.350 0.015 0.000 0.189 6049 E C -0.170 176.138 176.600 -0.488 0.000 1.054 6049 E CA 0.559 56.662 56.400 -0.494 0.000 0.874 6049 E CB 0.104 29.482 29.700 -0.538 0.000 1.011 6049 E HN 0.381 nan 8.360 nan 0.000 0.474 6050 F N 1.650 121.639 119.950 0.064 0.000 2.300 6050 F HA 0.292 4.827 4.527 0.013 0.000 0.364 6050 F C 0.098 175.950 175.800 0.087 0.000 1.090 6050 F CA -0.767 57.282 58.000 0.081 0.000 1.200 6050 F CB 1.314 40.375 39.000 0.102 0.000 1.493 6050 F HN -0.303 nan 8.300 nan 0.000 0.518 6051 T N 1.730 116.410 114.554 0.210 0.000 2.767 6051 T HA 0.411 4.770 4.350 0.015 0.000 0.288 6051 T C -0.085 174.764 174.700 0.247 0.000 0.963 6051 T CA -0.702 61.514 62.100 0.194 0.000 1.019 6051 T CB 0.980 69.952 68.868 0.173 0.000 0.923 6051 T HN 0.497 nan 8.240 nan 0.000 0.468 6052 S N 2.435 118.271 115.700 0.227 0.000 2.502 6052 S HA 0.735 5.214 4.470 0.015 0.000 0.304 6052 S C -1.439 173.297 174.600 0.226 0.000 1.097 6052 S CA -1.022 57.313 58.200 0.225 0.000 1.045 6052 S CB 1.076 64.365 63.200 0.148 0.000 1.019 6052 S HN 0.661 nan 8.310 nan 0.000 0.481 6053 W N 1.314 122.633 121.300 0.032 0.000 2.781 6053 W HA 0.644 5.313 4.660 0.014 0.000 0.345 6053 W C 0.289 176.817 176.519 0.015 0.000 1.085 6053 W CA -0.854 56.502 57.345 0.018 0.000 1.198 6053 W CB 1.810 31.277 29.460 0.012 0.000 1.423 6053 W HN 0.709 nan 8.180 nan 0.000 0.532 6054 R N 1.619 122.237 120.500 0.196 0.000 2.664 6054 R HA 0.882 5.231 4.340 0.015 0.000 0.286 6054 R C -0.701 175.698 176.300 0.165 0.000 0.967 6054 R CA -0.366 55.812 56.100 0.130 0.000 0.933 6054 R CB 1.413 31.743 30.300 0.049 0.000 1.146 6054 R HN 0.632 nan 8.270 nan 0.000 0.468 6055 A N 2.391 125.279 122.820 0.113 0.000 2.552 6055 A HA 0.484 4.813 4.320 0.015 0.000 0.288 6055 A C -1.565 176.050 177.584 0.052 0.000 1.193 6055 A CA -0.691 51.403 52.037 0.095 0.000 0.713 6055 A CB 1.837 20.891 19.000 0.090 0.000 1.305 6055 A HN 0.728 nan 8.150 nan 0.000 0.424 6056 E N -0.422 119.802 120.200 0.039 0.000 2.234 6056 E HA 0.574 4.933 4.350 0.015 0.000 0.266 6056 E C -2.202 174.406 176.600 0.014 0.000 0.877 6056 E CA -0.582 55.832 56.400 0.022 0.000 0.758 6056 E CB 1.845 31.557 29.700 0.020 0.000 1.170 6056 E HN 0.435 nan 8.360 nan 0.000 0.415 6057 L N 4.443 125.669 121.223 0.006 0.000 2.404 6057 L HA 0.328 4.677 4.340 0.015 0.000 0.272 6057 L C -1.113 175.756 176.870 -0.002 0.000 0.980 6057 L CA -0.078 54.763 54.840 0.000 0.000 0.836 6057 L CB 1.397 43.454 42.059 -0.003 0.000 1.238 6057 L HN 0.627 nan 8.230 nan 0.000 0.408 6058 D N 4.321 124.720 120.400 -0.002 0.000 2.751 6058 D HA -0.197 4.451 4.640 0.015 0.000 0.233 6058 D C 1.125 177.423 176.300 -0.002 0.000 1.149 6058 D CA 1.585 55.583 54.000 -0.003 0.000 0.682 6058 D CB -0.982 39.815 40.800 -0.005 0.000 1.068 6058 D HN 1.189 nan 8.370 nan 0.000 0.429 6059 G N -0.565 108.235 108.800 0.000 0.000 2.153 6059 G HA2 -0.365 3.604 3.960 0.015 0.000 0.252 6059 G HA3 -0.365 3.604 3.960 0.015 0.000 0.252 6059 G C 0.187 175.086 174.900 -0.000 0.000 0.994 6059 G CA 0.797 45.898 45.100 0.001 0.000 0.698 6059 G HN 0.492 nan 8.290 nan 0.000 0.521 6060 K N 0.094 120.493 120.400 -0.001 0.000 2.345 6060 K HA 0.704 5.033 4.320 0.015 0.000 0.255 6060 K C 0.425 177.024 176.600 -0.002 0.000 0.934 6060 K CA -0.212 56.073 56.287 -0.004 0.000 0.801 6060 K CB 1.993 34.488 32.500 -0.008 0.000 1.137 6060 K HN 0.510 nan 8.250 nan 0.000 0.424 6061 A N 2.346 125.165 122.820 -0.002 0.000 2.511 6061 A HA 0.359 4.688 4.320 0.015 0.000 0.242 6061 A C -0.252 177.330 177.584 -0.004 0.000 1.069 6061 A CA -0.056 51.982 52.037 0.002 0.000 0.763 6061 A CB 0.196 19.196 19.000 0.000 0.000 1.001 6061 A HN 0.415 nan 8.150 nan 0.000 0.498 6062 V N 3.220 123.138 119.914 0.007 0.000 2.925 6062 V HA 0.461 4.590 4.120 0.015 0.000 0.311 6062 V C -0.409 175.699 176.094 0.023 0.000 1.104 6062 V CA -0.373 61.928 62.300 0.002 0.000 0.954 6062 V CB 1.988 33.813 31.823 0.002 0.000 1.022 6062 V HN 0.775 nan 8.190 nan 0.000 0.427 6063 I N 2.622 123.201 120.570 0.015 0.000 2.441 6063 I HA 0.574 4.753 4.170 0.015 0.000 0.295 6063 I C -0.694 175.462 176.117 0.066 0.000 0.994 6063 I CA -0.755 60.574 61.300 0.048 0.000 1.144 6063 I CB 2.048 40.066 38.000 0.031 0.000 1.314 6063 I HN 0.288 nan 8.210 nan 0.000 0.445 6064 V N 5.028 125.010 119.914 0.114 0.000 2.409 6064 V HA 0.445 4.574 4.120 0.015 0.000 0.291 6064 V C -0.674 175.513 176.094 0.156 0.000 1.020 6064 V CA -0.528 61.840 62.300 0.113 0.000 0.848 6064 V CB 1.517 33.391 31.823 0.086 0.000 0.990 6064 V HN 0.876 nan 8.190 nan 0.000 0.430 6065 C N 4.927 124.314 119.300 0.146 0.000 2.551 6065 C HA 0.693 5.162 4.460 0.015 0.000 0.332 6065 C C 0.497 175.593 174.990 0.175 0.000 1.139 6065 C CA -0.383 58.741 59.018 0.178 0.000 1.328 6065 C CB 1.175 29.021 27.740 0.176 0.000 1.903 6065 C HN 1.060 nan 8.230 nan 0.000 0.459 6066 S N 3.297 119.109 115.700 0.186 0.000 2.580 6066 S HA 0.373 4.852 4.470 0.015 0.000 0.274 6066 S C 0.933 175.672 174.600 0.231 0.000 1.329 6066 S CA 0.417 58.708 58.200 0.152 0.000 1.036 6066 S CB 1.333 64.589 63.200 0.092 0.000 0.919 6066 S HN 1.037 nan 8.310 nan 0.000 0.515 6067 T N -1.091 113.557 114.554 0.156 0.000 3.015 6067 T HA 0.521 4.880 4.350 0.015 0.000 0.250 6067 T C 1.228 175.979 174.700 0.085 0.000 1.057 6067 T CA 0.318 62.535 62.100 0.195 0.000 1.066 6067 T CB -0.939 67.995 68.868 0.110 0.000 0.959 6067 T HN 1.923 nan 8.240 nan 0.000 0.488 6068 G N 1.480 110.259 108.800 -0.036 0.000 2.782 6068 G HA2 -0.121 3.848 3.960 0.015 0.000 0.228 6068 G HA3 -0.121 3.848 3.960 0.015 0.000 0.228 6068 G C -0.640 174.232 174.900 -0.048 0.000 1.372 6068 G CA -0.473 44.562 45.100 -0.109 0.000 0.862 6068 G HN 0.638 nan 8.290 nan 0.000 0.547 6069 I N 2.194 122.729 120.570 -0.058 0.000 2.342 6069 I HA 0.554 4.733 4.170 0.015 0.000 0.291 6069 I C 1.036 177.142 176.117 -0.018 0.000 1.010 6069 I CA 0.960 62.240 61.300 -0.033 0.000 1.308 6069 I CB 0.709 38.681 38.000 -0.047 0.000 1.400 6069 I HN 1.980 nan 8.210 nan 0.000 0.488 6070 G N 3.873 112.672 108.800 -0.003 0.000 2.619 6070 G HA2 -0.076 3.893 3.960 0.015 0.000 0.686 6070 G HA3 -0.076 3.893 3.960 0.015 0.000 0.686 6070 G C 0.491 175.395 174.900 0.005 0.000 1.256 6070 G CA -0.455 44.646 45.100 0.002 0.000 0.826 6070 G HN 0.878 nan 8.290 nan 0.000 0.619 6071 G N 0.192 108.994 108.800 0.002 0.000 2.418 6071 G HA2 0.091 4.060 3.960 0.015 0.000 0.217 6071 G HA3 0.091 4.060 3.960 0.015 0.000 0.217 6071 G C 0.140 175.044 174.900 0.008 0.000 1.158 6071 G CA 2.114 47.215 45.100 0.001 0.000 0.771 6071 G HN 0.687 nan 8.290 nan 0.000 0.545 6072 P HA -0.139 nan 4.420 nan 0.000 0.214 6072 P C 2.488 179.812 177.300 0.040 0.000 1.163 6072 P CA 2.464 65.564 63.100 0.000 0.000 0.889 6072 P CB -0.253 31.442 31.700 -0.009 0.000 0.790 6073 S N -1.958 113.783 115.700 0.067 0.000 2.383 6073 S HA -0.125 4.354 4.470 0.015 0.000 0.227 6073 S C 1.940 176.673 174.600 0.223 0.000 1.026 6073 S CA 1.843 60.151 58.200 0.180 0.000 0.981 6073 S CB -1.995 61.256 63.200 0.084 0.000 0.818 6073 S HN 0.095 nan 8.310 nan 0.000 0.472 6074 T N 3.053 117.670 114.554 0.104 0.000 2.720 6074 T HA -0.116 4.243 4.350 0.015 0.000 0.268 6074 T C 2.329 177.015 174.700 -0.024 0.000 1.037 6074 T CA 1.849 63.977 62.100 0.048 0.000 1.144 6074 T CB -0.766 68.099 68.868 -0.004 0.000 0.864 6074 T HN 0.796 nan 8.240 nan 0.000 0.444 6075 S N 1.024 116.717 115.700 -0.011 0.000 2.399 6075 S HA -0.063 4.415 4.470 0.015 0.000 0.231 6075 S C 1.972 176.562 174.600 -0.017 0.000 1.022 6075 S CA 0.693 58.890 58.200 -0.005 0.000 0.983 6075 S CB -0.604 62.693 63.200 0.161 0.000 0.803 6075 S HN 0.314 nan 8.310 nan 0.000 0.480 6076 I N 2.681 123.219 120.570 -0.053 0.000 2.193 6076 I HA 0.020 4.198 4.170 0.015 0.000 0.240 6076 I C 2.966 178.930 176.117 -0.256 0.000 1.084 6076 I CA 1.162 62.353 61.300 -0.182 0.000 1.365 6076 I CB -0.938 36.844 38.000 -0.364 0.000 1.064 6076 I HN 0.380 nan 8.210 nan 0.000 0.410 6077 A N 0.005 122.667 122.820 -0.263 0.000 1.865 6077 A HA -0.183 4.146 4.320 0.015 0.000 0.217 6077 A C 2.453 179.983 177.584 -0.089 0.000 1.191 6077 A CA 2.284 54.192 52.037 -0.214 0.000 0.623 6077 A CB -1.218 17.789 19.000 0.011 0.000 0.826 6077 A HN 0.233 nan 8.150 nan 0.000 0.444 6078 V N 0.194 120.011 119.914 -0.162 0.000 2.295 6078 V HA -0.259 3.870 4.120 0.015 0.000 0.246 6078 V C 2.647 178.650 176.094 -0.152 0.000 1.049 6078 V CA 2.518 64.601 62.300 -0.362 0.000 1.024 6078 V CB -0.830 30.569 31.823 -0.707 0.000 0.648 6078 V HN 0.767 nan 8.190 nan 0.000 0.447 6079 E N 0.948 121.088 120.200 -0.101 0.000 2.038 6079 E HA -0.254 4.105 4.350 0.015 0.000 0.195 6079 E C 2.083 178.709 176.600 0.043 0.000 1.000 6079 E CA 2.080 58.478 56.400 -0.002 0.000 0.803 6079 E CB -0.339 29.387 29.700 0.043 0.000 0.750 6079 E HN 0.681 nan 8.360 nan 0.000 0.448 6080 E N -0.215 119.996 120.200 0.017 0.000 2.152 6080 E HA -0.085 4.274 4.350 0.015 0.000 0.192 6080 E C 2.253 178.889 176.600 0.062 0.000 0.983 6080 E CA 0.801 57.220 56.400 0.032 0.000 0.818 6080 E CB -0.092 29.603 29.700 -0.007 0.000 0.758 6080 E HN 0.310 nan 8.360 nan 0.000 0.467 6081 L N 0.566 121.853 121.223 0.107 0.000 2.093 6081 L HA -0.154 4.195 4.340 0.015 0.000 0.208 6081 L C 2.580 179.562 176.870 0.187 0.000 1.085 6081 L CA 0.902 55.845 54.840 0.171 0.000 0.755 6081 L CB -0.422 41.830 42.059 0.321 0.000 0.904 6081 L HN 0.145 nan 8.230 nan 0.000 0.435 6082 A N -0.424 122.558 122.820 0.269 0.000 1.902 6082 A HA -0.257 4.072 4.320 0.015 0.000 0.217 6082 A C 2.198 179.846 177.584 0.107 0.000 1.181 6082 A CA 1.531 53.697 52.037 0.216 0.000 0.623 6082 A CB -0.484 18.645 19.000 0.215 0.000 0.818 6082 A HN 0.467 nan 8.150 nan 0.000 0.443 6083 Q N -0.644 119.208 119.800 0.087 0.000 2.181 6083 Q HA -0.087 4.262 4.340 0.015 0.000 0.205 6083 Q C 1.846 177.873 176.000 0.045 0.000 0.980 6083 Q CA 1.311 57.149 55.803 0.058 0.000 0.862 6083 Q CB -0.288 28.481 28.738 0.053 0.000 0.905 6083 Q HN 0.684 nan 8.270 nan 0.000 0.429 6084 L N -1.564 119.687 121.223 0.046 0.000 2.418 6084 L HA 0.055 4.404 4.340 0.015 0.000 0.218 6084 L C 1.281 178.161 176.870 0.016 0.000 1.125 6084 L CA 0.720 55.578 54.840 0.029 0.000 0.835 6084 L CB 0.227 42.303 42.059 0.029 0.000 0.953 6084 L HN 0.444 nan 8.230 nan 0.000 0.454 6085 G N -0.269 108.541 108.800 0.017 0.000 2.273 6085 G HA2 -0.160 3.809 3.960 0.015 0.000 0.162 6085 G HA3 -0.160 3.809 3.960 0.015 0.000 0.162 6085 G C -0.035 174.843 174.900 -0.038 0.000 1.006 6085 G CA -0.702 44.396 45.100 -0.003 0.000 0.704 6085 G HN 0.082 nan 8.290 nan 0.000 0.487 6086 I N 1.466 121.998 120.570 -0.065 0.000 2.496 6086 I HA 0.428 4.607 4.170 0.015 0.000 0.285 6086 I C 1.497 177.482 176.117 -0.220 0.000 1.080 6086 I CA -0.182 60.983 61.300 -0.225 0.000 1.404 6086 I CB 1.071 38.819 38.000 -0.420 0.000 1.403 6086 I HN -0.010 nan 8.210 nan 0.000 0.539 6087 R N 2.793 123.150 120.500 -0.240 0.000 2.394 6087 R HA 0.267 4.616 4.340 0.015 0.000 0.220 6087 R C -0.276 175.952 176.300 -0.121 0.000 0.887 6087 R CA 0.191 56.233 56.100 -0.098 0.000 1.034 6087 R CB 0.378 30.656 30.300 -0.036 0.000 1.179 6087 R HN 0.507 nan 8.270 nan 0.000 0.561 6088 T N 1.376 115.742 114.554 -0.313 0.000 2.841 6088 T HA 0.578 4.936 4.350 0.015 0.000 0.285 6088 T C -0.978 173.476 174.700 -0.409 0.000 0.991 6088 T CA -0.304 61.676 62.100 -0.201 0.000 0.966 6088 T CB 1.231 70.036 68.868 -0.105 0.000 0.962 6088 T HN -0.167 nan 8.240 nan 0.000 0.438 6089 F N 2.564 122.512 119.950 -0.003 0.000 2.493 6089 F HA 0.567 5.105 4.527 0.017 0.000 0.329 6089 F C -0.221 175.577 175.800 -0.003 0.000 1.126 6089 F CA -1.087 56.911 58.000 -0.003 0.000 0.937 6089 F CB 1.356 40.350 39.000 -0.011 0.000 1.146 6089 F HN 0.222 nan 8.300 nan 0.000 0.442 6090 L N 4.339 125.649 121.223 0.145 0.000 2.318 6090 L HA 0.499 4.848 4.340 0.015 0.000 0.277 6090 L C -0.018 176.906 176.870 0.090 0.000 1.008 6090 L CA -0.616 54.278 54.840 0.090 0.000 0.846 6090 L CB 1.547 43.630 42.059 0.040 0.000 1.220 6090 L HN 0.590 nan 8.230 nan 0.000 0.423 6091 R N 3.153 123.701 120.500 0.079 0.000 2.340 6091 R HA 0.466 4.815 4.340 0.015 0.000 0.300 6091 R C -0.907 175.418 176.300 0.041 0.000 1.069 6091 R CA -0.562 55.575 56.100 0.060 0.000 0.984 6091 R CB 1.137 31.463 30.300 0.043 0.000 1.003 6091 R HN 0.516 nan 8.270 nan 0.000 0.459 6092 I N 4.030 124.622 120.570 0.037 0.000 2.389 6092 I HA 0.532 4.711 4.170 0.015 0.000 0.288 6092 I C -0.569 175.563 176.117 0.024 0.000 0.999 6092 I CA -0.047 61.269 61.300 0.027 0.000 1.129 6092 I CB 1.643 39.655 38.000 0.020 0.000 1.288 6092 I HN 0.717 nan 8.210 nan 0.000 0.444 6093 G N 4.106 112.920 108.800 0.024 0.000 2.816 6093 G HA2 0.703 4.672 3.960 0.015 0.000 0.288 6093 G HA3 0.703 4.672 3.960 0.015 0.000 0.288 6093 G C -0.991 173.925 174.900 0.027 0.000 1.334 6093 G CA -0.360 44.754 45.100 0.024 0.000 0.978 6093 G HN 0.635 nan 8.290 nan 0.000 0.493 6094 T N -2.864 111.709 114.554 0.031 0.000 2.918 6094 T HA 0.737 5.095 4.350 0.015 0.000 0.286 6094 T C -0.377 174.353 174.700 0.049 0.000 1.026 6094 T CA -0.622 61.501 62.100 0.038 0.000 1.031 6094 T CB 2.059 70.950 68.868 0.038 0.000 1.046 6094 T HN 0.769 nan 8.240 nan 0.000 0.479 6095 T N -0.089 114.494 114.554 0.049 0.000 2.868 6095 T HA 0.676 5.035 4.350 0.015 0.000 0.306 6095 T C -0.527 174.200 174.700 0.045 0.000 1.224 6095 T CA -0.449 61.680 62.100 0.048 0.000 1.012 6095 T CB 1.383 70.270 68.868 0.031 0.000 1.221 6095 T HN 1.156 nan 8.240 nan 0.000 0.499 6096 G N 1.548 110.375 108.800 0.045 0.000 2.370 6096 G HA2 0.644 4.613 3.960 0.015 0.000 0.317 6096 G HA3 0.644 4.613 3.960 0.015 0.000 0.317 6096 G C -0.035 174.880 174.900 0.024 0.000 1.162 6096 G CA -0.245 44.877 45.100 0.036 0.000 0.922 6096 G HN 0.968 nan 8.290 nan 0.000 0.454 6097 A N 2.136 124.953 122.820 -0.005 0.000 2.407 6097 A HA 0.534 4.862 4.320 0.015 0.000 0.248 6097 A C 1.091 178.647 177.584 -0.046 0.000 1.082 6097 A CA -0.334 51.675 52.037 -0.046 0.000 0.785 6097 A CB 0.248 19.212 19.000 -0.060 0.000 1.020 6097 A HN 1.310 nan 8.150 nan 0.000 0.489 6098 I N -2.201 118.315 120.570 -0.089 0.000 4.154 6098 I HA 0.249 4.427 4.170 0.015 0.000 0.334 6098 I C -0.170 175.906 176.117 -0.068 0.000 1.371 6098 I CA -0.311 60.946 61.300 -0.072 0.000 1.110 6098 I CB 0.224 38.145 38.000 -0.132 0.000 1.085 6098 I HN 0.335 nan 8.210 nan 0.000 0.398 6099 Q N 2.732 122.478 119.800 -0.089 0.000 2.256 6099 Q HA 0.389 4.737 4.340 0.015 0.000 0.257 6099 Q C -1.844 174.080 176.000 -0.127 0.000 0.936 6099 Q CA -2.111 53.637 55.803 -0.092 0.000 0.903 6099 Q CB 1.856 30.538 28.738 -0.094 0.000 1.263 6099 Q HN 0.027 nan 8.270 nan 0.000 0.440 6100 P HA -0.129 nan 4.420 nan 0.000 0.222 6100 P C 0.361 177.422 177.300 -0.399 0.000 1.147 6100 P CA 1.402 64.310 63.100 -0.320 0.000 0.790 6100 P CB 0.396 31.818 31.700 -0.464 0.000 0.780 6101 H N -1.095 117.942 119.070 -0.056 0.000 2.520 6101 H HA 0.316 4.880 4.556 0.015 0.000 0.284 6101 H C 0.784 176.060 175.328 -0.087 0.000 1.037 6101 H CA -0.334 55.686 56.048 -0.046 0.000 1.168 6101 H CB 0.210 29.960 29.762 -0.020 0.000 1.497 6101 H HN 0.214 nan 8.280 nan 0.000 0.547 6102 I N 2.013 122.527 120.570 -0.092 0.000 2.325 6102 I HA 0.028 4.207 4.170 0.015 0.000 0.291 6102 I C 0.509 176.603 176.117 -0.038 0.000 1.019 6102 I CA -0.489 60.715 61.300 -0.159 0.000 1.302 6102 I CB 0.844 38.675 38.000 -0.283 0.000 1.401 6102 I HN 0.002 nan 8.210 nan 0.000 0.485 6103 N N 5.225 123.942 118.700 0.029 0.000 2.509 6103 N HA 0.228 4.977 4.740 0.015 0.000 0.287 6103 N C -0.605 174.921 175.510 0.026 0.000 1.121 6103 N CA -0.397 52.671 53.050 0.031 0.000 0.977 6103 N CB 1.422 39.937 38.487 0.045 0.000 1.167 6103 N HN 0.264 nan 8.380 nan 0.000 0.476 6104 V N 2.615 122.541 119.914 0.020 0.000 2.584 6104 V HA 0.223 4.352 4.120 0.015 0.000 0.303 6104 V C 1.572 177.682 176.094 0.026 0.000 1.035 6104 V CA 1.739 64.053 62.300 0.024 0.000 1.172 6104 V CB 0.034 31.871 31.823 0.024 0.000 0.896 6104 V HN 1.027 nan 8.190 nan 0.000 0.486 6105 G N 3.887 112.707 108.800 0.032 0.000 2.213 6105 G HA2 -0.185 3.784 3.960 0.015 0.000 0.236 6105 G HA3 -0.185 3.784 3.960 0.015 0.000 0.236 6105 G C -0.029 174.875 174.900 0.007 0.000 0.991 6105 G CA 0.018 45.137 45.100 0.032 0.000 0.629 6105 G HN 0.673 nan 8.290 nan 0.000 0.517 6106 D N 0.327 120.743 120.400 0.026 0.000 2.382 6106 D HA 0.448 5.097 4.640 0.015 0.000 0.240 6106 D C 0.575 176.912 176.300 0.062 0.000 1.146 6106 D CA 0.154 54.185 54.000 0.052 0.000 0.897 6106 D CB 1.606 42.507 40.800 0.168 0.000 1.197 6106 D HN 0.201 nan 8.370 nan 0.000 0.432 6107 V N 3.001 122.945 119.914 0.050 0.000 2.394 6107 V HA 0.299 4.428 4.120 0.015 0.000 0.282 6107 V C 0.099 176.235 176.094 0.072 0.000 1.031 6107 V CA -0.666 61.663 62.300 0.049 0.000 0.881 6107 V CB 0.980 32.819 31.823 0.026 0.000 0.982 6107 V HN 0.270 nan 8.190 nan 0.000 0.451 6108 L N 5.700 126.963 121.223 0.067 0.000 2.305 6108 L HA 0.598 4.947 4.340 0.015 0.000 0.284 6108 L C -0.593 176.299 176.870 0.037 0.000 1.013 6108 L CA -0.749 54.133 54.840 0.069 0.000 0.819 6108 L CB 1.841 43.932 42.059 0.054 0.000 1.227 6108 L HN 0.322 nan 8.230 nan 0.000 0.417 6109 V N 2.055 121.987 119.914 0.031 0.000 2.370 6109 V HA 0.265 4.394 4.120 0.015 0.000 0.279 6109 V C 0.366 176.467 176.094 0.012 0.000 1.029 6109 V CA -0.333 61.976 62.300 0.014 0.000 0.870 6109 V CB 1.637 33.460 31.823 0.001 0.000 0.984 6109 V HN 0.732 nan 8.190 nan 0.000 0.451 6110 T N 3.619 118.177 114.554 0.007 0.000 2.728 6110 T HA 0.187 4.546 4.350 0.015 0.000 0.296 6110 T C 1.363 176.067 174.700 0.006 0.000 0.940 6110 T CA 0.191 62.292 62.100 0.002 0.000 1.013 6110 T CB 1.177 70.043 68.868 -0.005 0.000 0.912 6110 T HN 0.965 nan 8.240 nan 0.000 0.484 6111 T N 1.054 115.613 114.554 0.008 0.000 2.851 6111 T HA 0.412 4.771 4.350 0.015 0.000 0.262 6111 T C 0.780 175.489 174.700 0.016 0.000 1.043 6111 T CA 0.366 62.477 62.100 0.019 0.000 1.140 6111 T CB 0.116 68.999 68.868 0.026 0.000 0.872 6111 T HN 0.738 nan 8.240 nan 0.000 0.446 6112 A N -0.059 122.761 122.820 0.000 0.000 2.610 6112 A HA 0.694 5.022 4.320 0.015 0.000 0.291 6112 A C -1.006 176.561 177.584 -0.027 0.000 1.086 6112 A CA -0.852 51.181 52.037 -0.006 0.000 0.677 6112 A CB 1.446 20.441 19.000 -0.009 0.000 1.278 6112 A HN 0.247 nan 8.150 nan 0.000 0.414 6113 S N -0.298 115.384 115.700 -0.030 0.000 2.513 6113 S HA 0.577 5.056 4.470 0.015 0.000 0.299 6113 S C -0.426 174.124 174.600 -0.083 0.000 1.087 6113 S CA -0.555 57.608 58.200 -0.061 0.000 1.012 6113 S CB 1.687 64.861 63.200 -0.044 0.000 1.044 6113 S HN 0.849 nan 8.310 nan 0.000 0.485 6114 V N 3.358 123.172 119.914 -0.167 0.000 2.479 6114 V HA 0.159 4.288 4.120 0.015 0.000 0.281 6114 V C 0.631 176.641 176.094 -0.141 0.000 1.031 6114 V CA 0.003 62.167 62.300 -0.228 0.000 1.038 6114 V CB -0.207 31.282 31.823 -0.557 0.000 0.981 6114 V HN 0.697 nan 8.190 nan 0.000 0.478 6115 R N 5.384 125.853 120.500 -0.051 0.000 2.893 6115 R HA 0.286 4.635 4.340 0.015 0.000 0.243 6115 R C 0.122 176.453 176.300 0.052 0.000 1.481 6115 R CA -0.094 56.015 56.100 0.016 0.000 1.250 6115 R CB -0.040 30.295 30.300 0.058 0.000 1.213 6115 R HN 0.675 nan 8.270 nan 0.000 0.609 6116 L N 1.939 123.194 121.223 0.053 0.000 2.783 6116 L HA 0.116 4.465 4.340 0.015 0.000 0.236 6116 L C 0.373 177.326 176.870 0.139 0.000 1.225 6116 L CA -0.232 54.704 54.840 0.160 0.000 1.026 6116 L CB -0.673 41.518 42.059 0.220 0.000 1.314 6116 L HN 0.509 nan 8.230 nan 0.000 0.489 6117 D N -1.303 119.155 120.400 0.097 0.000 2.621 6117 D HA 0.316 4.965 4.640 0.015 0.000 0.255 6117 D C 0.747 177.102 176.300 0.092 0.000 1.122 6117 D CA -0.297 53.749 54.000 0.077 0.000 1.096 6117 D CB 1.843 42.673 40.800 0.049 0.000 1.282 6117 D HN -0.077 nan 8.370 nan 0.000 0.619 6118 G N -1.256 107.585 108.800 0.068 0.000 2.747 6118 G HA2 0.243 4.212 3.960 0.015 0.000 0.202 6118 G HA3 0.243 4.212 3.960 0.015 0.000 0.202 6118 G C 1.282 176.215 174.900 0.055 0.000 1.090 6118 G CA 0.588 45.737 45.100 0.082 0.000 0.779 6118 G HN 0.611 nan 8.290 nan 0.000 0.535 6119 A N 1.769 124.566 122.820 -0.038 0.000 1.969 6119 A HA 0.012 4.340 4.320 0.015 0.000 0.218 6119 A C 2.655 180.353 177.584 0.190 0.000 1.169 6119 A CA 2.342 54.315 52.037 -0.107 0.000 0.635 6119 A CB -0.637 18.337 19.000 -0.042 0.000 0.810 6119 A HN 0.719 nan 8.150 nan 0.000 0.445 6120 S N 0.306 116.124 115.700 0.197 0.000 2.400 6120 S HA -0.127 4.352 4.470 0.015 0.000 0.232 6120 S C 1.697 176.462 174.600 0.275 0.000 1.025 6120 S CA 1.500 59.852 58.200 0.253 0.000 0.993 6120 S CB -0.759 62.526 63.200 0.143 0.000 0.808 6120 S HN 0.456 nan 8.310 nan 0.000 0.478 6121 L N 0.740 122.101 121.223 0.230 0.000 2.456 6121 L HA 0.017 4.366 4.340 0.015 0.000 0.224 6121 L C 2.315 179.265 176.870 0.132 0.000 1.148 6121 L CA 0.986 55.934 54.840 0.179 0.000 0.825 6121 L CB -0.678 41.480 42.059 0.164 0.000 0.937 6121 L HN 0.491 nan 8.230 nan 0.000 0.450 6122 H N -1.746 117.274 119.070 -0.083 0.000 2.547 6122 H HA 0.035 4.599 4.556 0.013 0.000 0.266 6122 H C 1.207 176.175 175.328 -0.600 0.000 0.988 6122 H CA 0.634 56.475 56.048 -0.345 0.000 1.147 6122 H CB 0.451 29.934 29.762 -0.466 0.000 1.365 6122 H HN 0.361 nan 8.280 nan 0.000 0.589 6123 F N -0.436 119.532 119.950 0.029 0.000 2.699 6123 F HA 0.434 4.969 4.527 0.014 0.000 0.295 6123 F C 0.796 176.502 175.800 -0.157 0.000 1.052 6123 F CA -0.028 57.930 58.000 -0.069 0.000 1.239 6123 F CB 1.069 40.013 39.000 -0.092 0.000 1.018 6123 F HN -0.047 nan 8.300 nan 0.000 0.627 6124 A N 0.507 123.346 122.820 0.032 0.000 2.566 6124 A HA 0.623 4.951 4.320 0.015 0.000 0.297 6124 A C -2.813 174.793 177.584 0.037 0.000 1.059 6124 A CA -1.396 50.592 52.037 -0.083 0.000 0.691 6124 A CB 0.684 19.442 19.000 -0.404 0.000 1.282 6124 A HN -0.179 nan 8.150 nan 0.000 0.401 6125 P HA 0.118 nan 4.420 nan 0.000 0.271 6125 P C 0.860 178.240 177.300 0.134 0.000 1.233 6125 P CA -0.238 62.913 63.100 0.085 0.000 0.789 6125 P CB 0.436 32.181 31.700 0.075 0.000 0.951 6126 M N 1.021 120.687 119.600 0.111 0.000 2.267 6126 M HA -0.176 4.312 4.480 0.015 0.000 0.263 6126 M C 1.482 177.857 176.300 0.125 0.000 1.063 6126 M CA 1.908 57.278 55.300 0.116 0.000 1.090 6126 M CB -1.274 31.379 32.600 0.089 0.000 1.392 6126 M HN 0.295 nan 8.290 nan 0.000 0.422 6127 E N -0.867 119.406 120.200 0.121 0.000 2.204 6127 E HA -0.093 4.266 4.350 0.015 0.000 0.195 6127 E C 0.275 176.946 176.600 0.118 0.000 0.990 6127 E CA 0.580 57.040 56.400 0.101 0.000 0.821 6127 E CB -0.458 29.294 29.700 0.085 0.000 0.750 6127 E HN 0.476 nan 8.360 nan 0.000 0.477 6128 F N 2.644 122.615 119.950 0.035 0.000 2.538 6128 F HA 0.129 4.662 4.527 0.010 0.000 0.371 6128 F C -1.974 173.845 175.800 0.031 0.000 1.087 6128 F CA -2.770 55.251 58.000 0.035 0.000 1.250 6128 F CB 0.530 39.556 39.000 0.044 0.000 1.110 6128 F HN -0.114 nan 8.300 nan 0.000 0.570 6129 P HA 0.156 nan 4.420 nan 0.000 0.281 6129 P C -1.208 176.124 177.300 0.054 0.000 1.252 6129 P CA -0.412 62.618 63.100 -0.115 0.000 0.778 6129 P CB 1.236 32.800 31.700 -0.227 0.000 0.895 6130 A N 3.979 126.854 122.820 0.093 0.000 3.063 6130 A HA 0.254 4.583 4.320 0.015 0.000 0.263 6130 A C 0.301 177.916 177.584 0.053 0.000 1.736 6130 A CA -0.325 51.776 52.037 0.105 0.000 1.408 6130 A CB -0.973 18.067 19.000 0.066 0.000 1.108 6130 A HN 0.469 nan 8.150 nan 0.000 0.621 6131 V N 1.588 121.535 119.914 0.054 0.000 2.539 6131 V HA 0.696 4.825 4.120 0.015 0.000 0.292 6131 V C 0.670 176.796 176.094 0.053 0.000 1.045 6131 V CA -0.180 62.138 62.300 0.030 0.000 0.945 6131 V CB 1.354 33.172 31.823 -0.008 0.000 0.993 6131 V HN 0.882 nan 8.190 nan 0.000 0.464 6132 A N 4.257 127.105 122.820 0.046 0.000 2.313 6132 A HA 0.405 4.734 4.320 0.015 0.000 0.261 6132 A C 0.027 177.657 177.584 0.076 0.000 1.090 6132 A CA -0.219 51.850 52.037 0.053 0.000 0.807 6132 A CB 0.191 19.213 19.000 0.037 0.000 1.055 6132 A HN 1.023 nan 8.150 nan 0.000 0.492 6133 D N -0.452 119.996 120.400 0.079 0.000 2.382 6133 D HA 0.146 4.795 4.640 0.015 0.000 0.245 6133 D C 0.652 177.021 176.300 0.116 0.000 1.120 6133 D CA -0.071 53.990 54.000 0.103 0.000 0.890 6133 D CB 0.198 41.050 40.800 0.087 0.000 1.201 6133 D HN 0.364 nan 8.370 nan 0.000 0.433 6134 F N 3.890 123.850 119.950 0.016 0.000 2.134 6134 F HA -0.081 4.454 4.527 0.014 0.000 0.299 6134 F C 2.006 177.813 175.800 0.011 0.000 1.097 6134 F CA 1.749 59.755 58.000 0.010 0.000 1.264 6134 F CB -0.375 38.629 39.000 0.007 0.000 1.001 6134 F HN 0.484 nan 8.300 nan 0.000 0.479 6135 A N -0.570 122.239 122.820 -0.018 0.000 1.902 6135 A HA -0.194 4.135 4.320 0.015 0.000 0.217 6135 A C 2.356 179.860 177.584 -0.132 0.000 1.181 6135 A CA 1.753 53.724 52.037 -0.109 0.000 0.623 6135 A CB -1.641 17.369 19.000 0.018 0.000 0.818 6135 A HN 0.562 nan 8.150 nan 0.000 0.443 6136 C N -1.060 118.201 119.300 -0.063 0.000 2.453 6136 C HA -0.069 4.399 4.460 0.015 0.000 0.277 6136 C C 3.051 177.994 174.990 -0.079 0.000 1.262 6136 C CA 1.505 60.494 59.018 -0.047 0.000 1.718 6136 C CB -1.505 26.237 27.740 0.002 0.000 2.031 6136 C HN 0.650 nan 8.230 nan 0.000 0.480 6137 T N 0.709 115.203 114.554 -0.100 0.000 2.708 6137 T HA -0.174 4.185 4.350 0.015 0.000 0.266 6137 T C 1.789 176.382 174.700 -0.178 0.000 1.037 6137 T CA 2.213 64.246 62.100 -0.111 0.000 1.146 6137 T CB -0.623 68.195 68.868 -0.084 0.000 0.865 6137 T HN 0.592 nan 8.240 nan 0.000 0.435 6138 T N 2.134 116.490 114.554 -0.329 0.000 2.684 6138 T HA -0.095 4.264 4.350 0.015 0.000 0.267 6138 T C 2.417 177.006 174.700 -0.185 0.000 1.036 6138 T CA 1.323 63.218 62.100 -0.342 0.000 1.148 6138 T CB -0.669 67.865 68.868 -0.556 0.000 0.863 6138 T HN 0.455 nan 8.240 nan 0.000 0.436 6139 A N 1.003 123.733 122.820 -0.150 0.000 1.908 6139 A HA -0.023 4.306 4.320 0.015 0.000 0.218 6139 A C 2.330 179.874 177.584 -0.066 0.000 1.181 6139 A CA 1.300 53.284 52.037 -0.089 0.000 0.627 6139 A CB -0.854 18.105 19.000 -0.068 0.000 0.818 6139 A HN 0.482 nan 8.150 nan 0.000 0.445 6140 L N -0.811 120.374 121.223 -0.064 0.000 2.027 6140 L HA -0.144 4.205 4.340 0.015 0.000 0.206 6140 L C 2.557 179.401 176.870 -0.043 0.000 1.074 6140 L CA 1.052 55.867 54.840 -0.042 0.000 0.745 6140 L CB -0.520 41.519 42.059 -0.032 0.000 0.898 6140 L HN 0.249 nan 8.230 nan 0.000 0.433 6141 V N -0.167 119.711 119.914 -0.060 0.000 2.295 6141 V HA -0.271 3.858 4.120 0.015 0.000 0.246 6141 V C 2.333 178.398 176.094 -0.049 0.000 1.049 6141 V CA 1.838 64.105 62.300 -0.054 0.000 1.024 6141 V CB -0.472 31.312 31.823 -0.065 0.000 0.648 6141 V HN 0.457 nan 8.190 nan 0.000 0.447 6142 E N 0.092 120.257 120.200 -0.058 0.000 2.150 6142 E HA -0.128 4.231 4.350 0.015 0.000 0.193 6142 E C 2.275 178.855 176.600 -0.033 0.000 0.985 6142 E CA 1.102 57.474 56.400 -0.046 0.000 0.814 6142 E CB -0.253 29.416 29.700 -0.052 0.000 0.752 6142 E HN 0.608 nan 8.360 nan 0.000 0.466 6143 A N 1.487 124.288 122.820 -0.032 0.000 1.930 6143 A HA -0.031 4.298 4.320 0.015 0.000 0.217 6143 A C 2.380 179.957 177.584 -0.012 0.000 1.175 6143 A CA 1.407 53.432 52.037 -0.020 0.000 0.627 6143 A CB -0.434 18.555 19.000 -0.019 0.000 0.815 6143 A HN 0.276 nan 8.150 nan 0.000 0.443 6144 A N 0.122 122.933 122.820 -0.015 0.000 1.902 6144 A HA -0.164 4.165 4.320 0.015 0.000 0.217 6144 A C 2.138 179.712 177.584 -0.015 0.000 1.181 6144 A CA 1.933 53.964 52.037 -0.010 0.000 0.623 6144 A CB -0.457 18.529 19.000 -0.022 0.000 0.818 6144 A HN 0.560 nan 8.150 nan 0.000 0.443 6145 K N 0.530 120.916 120.400 -0.023 0.000 2.057 6145 K HA -0.176 4.153 4.320 0.015 0.000 0.207 6145 K C 2.256 178.848 176.600 -0.014 0.000 1.049 6145 K CA 2.011 58.284 56.287 -0.023 0.000 0.931 6145 K CB -0.247 32.237 32.500 -0.026 0.000 0.714 6145 K HN 0.586 nan 8.250 nan 0.000 0.440 6146 S N 1.322 117.015 115.700 -0.011 0.000 2.368 6146 S HA -0.157 4.322 4.470 0.015 0.000 0.224 6146 S C 2.071 176.672 174.600 0.002 0.000 1.029 6146 S CA 1.198 59.394 58.200 -0.006 0.000 0.988 6146 S CB -0.710 62.485 63.200 -0.009 0.000 0.838 6146 S HN 0.563 nan 8.310 nan 0.000 0.462 6147 I N -2.014 118.562 120.570 0.011 0.000 3.728 6147 I HA 0.514 4.693 4.170 0.015 0.000 0.307 6147 I C 1.419 177.561 176.117 0.042 0.000 1.276 6147 I CA 0.267 61.585 61.300 0.028 0.000 1.285 6147 I CB -0.620 37.404 38.000 0.041 0.000 1.038 6147 I HN 0.394 nan 8.210 nan 0.000 0.445 6148 G N 1.679 110.491 108.800 0.019 0.000 2.198 6148 G HA2 -0.201 3.767 3.960 0.015 0.000 0.257 6148 G HA3 -0.201 3.767 3.960 0.015 0.000 0.257 6148 G C 0.339 175.233 174.900 -0.010 0.000 1.042 6148 G CA 0.095 45.196 45.100 0.002 0.000 0.791 6148 G HN 0.964 nan 8.290 nan 0.000 0.502 6149 A N -0.137 122.680 122.820 -0.005 0.000 2.371 6149 A HA 0.700 5.029 4.320 0.015 0.000 0.257 6149 A C 0.947 178.458 177.584 -0.122 0.000 1.089 6149 A CA 0.748 52.738 52.037 -0.078 0.000 0.794 6149 A CB 0.386 19.375 19.000 -0.019 0.000 1.029 6149 A HN 0.902 nan 8.150 nan 0.000 0.488 6150 T N 2.933 117.384 114.554 -0.172 0.000 2.761 6150 T HA 0.376 4.734 4.350 0.015 0.000 0.287 6150 T C 0.105 174.675 174.700 -0.216 0.000 0.931 6150 T CA 0.663 62.654 62.100 -0.181 0.000 1.164 6150 T CB -0.356 68.432 68.868 -0.133 0.000 0.876 6150 T HN 0.636 nan 8.240 nan 0.000 0.534 6151 T N 4.430 118.797 114.554 -0.312 0.000 2.876 6151 T HA 0.413 4.772 4.350 0.015 0.000 0.289 6151 T C -0.655 173.765 174.700 -0.466 0.000 1.014 6151 T CA -0.838 61.106 62.100 -0.260 0.000 0.986 6151 T CB 1.123 69.915 68.868 -0.127 0.000 1.021 6151 T HN 0.555 nan 8.240 nan 0.000 0.458 6152 H N 0.804 119.866 119.070 -0.013 0.000 2.600 6152 H HA 0.587 5.152 4.556 0.015 0.000 0.357 6152 H C -1.066 174.256 175.328 -0.010 0.000 1.106 6152 H CA -0.592 55.450 56.048 -0.009 0.000 1.193 6152 H CB 1.990 31.748 29.762 -0.006 0.000 1.594 6152 H HN 0.273 nan 8.280 nan 0.000 0.526 6153 V N 2.154 122.123 119.914 0.092 0.000 2.448 6153 V HA 0.709 4.838 4.120 0.015 0.000 0.295 6153 V C 0.497 176.618 176.094 0.045 0.000 1.025 6153 V CA -0.169 62.160 62.300 0.047 0.000 0.859 6153 V CB 1.402 33.237 31.823 0.020 0.000 0.988 6153 V HN 1.112 nan 8.190 nan 0.000 0.431 6154 G N 3.218 112.035 108.800 0.029 0.000 2.399 6154 G HA2 0.363 4.332 3.960 0.015 0.000 0.256 6154 G HA3 0.363 4.332 3.960 0.015 0.000 0.256 6154 G C -1.375 173.523 174.900 -0.004 0.000 1.236 6154 G CA -0.395 44.715 45.100 0.016 0.000 0.914 6154 G HN 0.520 nan 8.290 nan 0.000 0.482 6155 V N 0.921 120.824 119.914 -0.019 0.000 2.607 6155 V HA 0.618 4.747 4.120 0.015 0.000 0.289 6155 V C 0.331 176.377 176.094 -0.080 0.000 1.053 6155 V CA 0.004 62.277 62.300 -0.045 0.000 0.996 6155 V CB 1.261 33.056 31.823 -0.046 0.000 0.995 6155 V HN 0.778 nan 8.190 nan 0.000 0.476 6156 T N 3.446 117.940 114.554 -0.099 0.000 2.856 6156 T HA 0.653 5.012 4.350 0.015 0.000 0.283 6156 T C -0.075 174.506 174.700 -0.198 0.000 1.008 6156 T CA -0.313 61.709 62.100 -0.130 0.000 0.997 6156 T CB 1.677 70.500 68.868 -0.075 0.000 0.992 6156 T HN 0.910 nan 8.240 nan 0.000 0.454 6157 A N 2.156 124.808 122.820 -0.280 0.000 2.269 6157 A HA 0.610 4.939 4.320 0.015 0.000 0.302 6157 A C 0.369 177.902 177.584 -0.084 0.000 1.266 6157 A CA -0.456 51.381 52.037 -0.333 0.000 0.894 6157 A CB 0.330 18.966 19.000 -0.608 0.000 1.147 6157 A HN 0.629 nan 8.150 nan 0.000 0.537 6158 S N 2.196 117.849 115.700 -0.078 0.000 2.461 6158 S HA 0.496 4.975 4.470 0.015 0.000 0.322 6158 S C 0.000 174.602 174.600 0.003 0.000 1.063 6158 S CA -0.322 57.869 58.200 -0.015 0.000 1.120 6158 S CB 0.287 63.474 63.200 -0.021 0.000 0.968 6158 S HN 0.929 nan 8.310 nan 0.000 0.467 6159 S N 3.213 118.913 115.700 -0.000 0.000 2.509 6159 S HA 0.352 4.831 4.470 0.015 0.000 0.297 6159 S C 0.465 175.039 174.600 -0.044 0.000 1.118 6159 S CA -0.608 57.567 58.200 -0.041 0.000 1.074 6159 S CB 1.153 64.254 63.200 -0.167 0.000 1.038 6159 S HN 0.706 nan 8.310 nan 0.000 0.498 6160 D N 1.836 122.218 120.400 -0.030 0.000 2.363 6160 D HA 0.115 4.764 4.640 0.015 0.000 0.220 6160 D C 0.670 176.948 176.300 -0.036 0.000 0.994 6160 D CA 0.783 54.774 54.000 -0.015 0.000 0.890 6160 D CB 0.195 41.007 40.800 0.020 0.000 0.906 6160 D HN 0.712 nan 8.370 nan 0.000 0.530 6161 T N -4.159 110.335 114.554 -0.099 0.000 2.906 6161 T HA 0.293 4.652 4.350 0.015 0.000 0.295 6161 T C 0.482 175.112 174.700 -0.117 0.000 1.075 6161 T CA -0.876 61.179 62.100 -0.075 0.000 1.005 6161 T CB 1.174 69.985 68.868 -0.095 0.000 1.136 6161 T HN -0.121 nan 8.240 nan 0.000 0.498 6162 F N -0.019 119.796 119.950 -0.225 0.000 2.335 6162 F HA 0.192 4.728 4.527 0.014 0.000 0.296 6162 F C 1.096 176.571 175.800 -0.542 0.000 1.091 6162 F CA 0.756 58.511 58.000 -0.409 0.000 1.399 6162 F CB -0.003 38.699 39.000 -0.497 0.000 1.067 6162 F HN 0.687 nan 8.300 nan 0.000 0.520 6163 Y N 0.556 120.811 120.300 -0.076 0.000 2.344 6163 Y HA 0.131 4.689 4.550 0.013 0.000 0.261 6163 Y C -0.486 175.237 175.900 -0.295 0.000 1.080 6163 Y CA 0.449 58.458 58.100 -0.150 0.000 1.151 6163 Y CB -1.926 36.530 38.460 -0.007 0.000 1.059 6163 Y HN -0.199 nan 8.280 nan 0.000 0.490 6164 P HA -0.074 nan 4.420 nan 0.000 0.217 6164 P C 1.505 178.509 177.300 -0.492 0.000 1.151 6164 P CA 2.131 65.087 63.100 -0.240 0.000 0.828 6164 P CB -0.208 31.413 31.700 -0.132 0.000 0.788 6165 G N -0.044 108.325 108.800 -0.718 0.000 2.509 6165 G HA2 -0.195 3.774 3.960 0.015 0.000 0.218 6165 G HA3 -0.195 3.774 3.960 0.015 0.000 0.218 6165 G C 1.339 175.767 174.900 -0.787 0.000 1.124 6165 G CA 0.281 44.631 45.100 -1.250 0.000 0.776 6165 G HN 0.375 nan 8.290 nan 0.000 0.547 6166 Q N -0.565 118.787 119.800 -0.747 0.000 2.188 6166 Q HA 0.207 4.556 4.340 0.015 0.000 0.212 6166 Q C 0.016 175.674 176.000 -0.571 0.000 0.846 6166 Q CA -0.286 54.851 55.803 -1.109 0.000 0.989 6166 Q CB 0.472 28.417 28.738 -1.321 0.000 1.114 6166 Q HN 0.573 nan 8.270 nan 0.000 0.488 6167 E N 1.666 121.658 120.200 -0.346 0.000 2.269 6167 E HA -0.238 4.121 4.350 0.015 0.000 0.223 6167 E C -0.921 175.495 176.600 -0.307 0.000 1.244 6167 E CA 0.158 56.401 56.400 -0.261 0.000 0.713 6167 E CB -0.336 29.361 29.700 -0.005 0.000 1.178 6167 E HN 0.337 nan 8.360 nan 0.000 0.370 6168 R N 0.092 120.401 120.500 -0.319 0.000 2.297 6168 R HA 0.213 4.562 4.340 0.015 0.000 0.308 6168 R C 0.295 176.478 176.300 -0.196 0.000 1.029 6168 R CA -0.145 55.866 56.100 -0.149 0.000 0.929 6168 R CB 0.511 30.787 30.300 -0.040 0.000 1.046 6168 R HN 0.219 nan 8.270 nan 0.000 0.461 6169 Y N -0.336 120.001 120.300 0.061 0.000 2.462 6169 Y HA 0.080 4.639 4.550 0.015 0.000 0.253 6169 Y C 0.308 176.235 175.900 0.046 0.000 1.095 6169 Y CA -0.195 57.933 58.100 0.047 0.000 1.283 6169 Y CB 0.737 39.215 38.460 0.029 0.000 1.138 6169 Y HN 0.457 nan 8.280 nan 0.000 0.522 6170 D N 1.689 122.207 120.400 0.198 0.000 2.767 6170 D HA 0.062 4.711 4.640 0.015 0.000 0.231 6170 D C 0.437 176.795 176.300 0.096 0.000 1.105 6170 D CA 0.377 54.460 54.000 0.139 0.000 1.024 6170 D CB -0.254 40.629 40.800 0.138 0.000 1.123 6170 D HN 0.268 nan 8.370 nan 0.000 0.470 6171 T N -3.644 110.941 114.554 0.051 0.000 2.858 6171 T HA 0.207 4.566 4.350 0.015 0.000 0.285 6171 T C 1.067 175.772 174.700 0.008 0.000 1.052 6171 T CA -0.866 61.213 62.100 -0.034 0.000 1.009 6171 T CB 0.976 69.802 68.868 -0.070 0.000 1.241 6171 T HN 0.119 nan 8.240 nan 0.000 0.542 6172 Y N 1.287 121.518 120.300 -0.115 0.000 2.128 6172 Y HA -0.144 4.414 4.550 0.013 0.000 0.284 6172 Y C 2.764 178.643 175.900 -0.035 0.000 1.154 6172 Y CA 2.599 60.656 58.100 -0.072 0.000 1.149 6172 Y CB -0.288 38.120 38.460 -0.087 0.000 0.976 6172 Y HN 0.745 nan 8.280 nan 0.000 0.505 6173 S N -1.140 114.463 115.700 -0.161 0.000 2.406 6173 S HA 0.148 4.627 4.470 0.015 0.000 0.224 6173 S C 1.868 176.408 174.600 -0.100 0.000 1.030 6173 S CA 0.640 58.717 58.200 -0.206 0.000 0.958 6173 S CB -0.427 62.742 63.200 -0.051 0.000 0.811 6173 S HN 0.984 nan 8.310 nan 0.000 0.489 6174 G N 1.993 110.783 108.800 -0.018 0.000 2.148 6174 G HA2 -0.316 3.653 3.960 0.015 0.000 0.254 6174 G HA3 -0.316 3.653 3.960 0.015 0.000 0.254 6174 G C 0.040 175.037 174.900 0.162 0.000 0.981 6174 G CA 0.394 45.538 45.100 0.073 0.000 0.670 6174 G HN 1.019 nan 8.290 nan 0.000 0.528 6175 R N -1.260 119.295 120.500 0.093 0.000 2.832 6175 R HA 0.837 5.186 4.340 0.015 0.000 0.271 6175 R C -1.002 175.323 176.300 0.042 0.000 0.996 6175 R CA -0.998 55.173 56.100 0.118 0.000 0.977 6175 R CB 2.244 32.586 30.300 0.071 0.000 1.168 6175 R HN 0.266 nan 8.270 nan 0.000 0.482 6176 V N 2.602 122.554 119.914 0.063 0.000 2.588 6176 V HA 0.256 4.385 4.120 0.015 0.000 0.304 6176 V C -0.135 176.018 176.094 0.098 0.000 1.042 6176 V CA -1.064 61.236 62.300 -0.000 0.000 0.877 6176 V CB 1.843 33.566 31.823 -0.166 0.000 0.996 6176 V HN 0.704 nan 8.190 nan 0.000 0.425 6177 V N 5.801 125.792 119.914 0.128 0.000 3.032 6177 V HA 0.054 4.183 4.120 0.015 0.000 0.307 6177 V C 1.880 178.046 176.094 0.119 0.000 1.097 6177 V CA 0.760 63.140 62.300 0.133 0.000 1.191 6177 V CB 0.871 32.792 31.823 0.163 0.000 0.964 6177 V HN 0.973 nan 8.190 nan 0.000 0.494 6178 R N 3.526 124.065 120.500 0.064 0.000 2.140 6178 R HA -0.242 4.107 4.340 0.015 0.000 0.250 6178 R C 2.280 178.565 176.300 -0.025 0.000 1.150 6178 R CA 2.630 58.745 56.100 0.025 0.000 0.966 6178 R CB -0.347 29.956 30.300 0.006 0.000 0.869 6178 R HN 0.836 nan 8.270 nan 0.000 0.445 6179 R N -0.696 119.750 120.500 -0.090 0.000 2.127 6179 R HA -0.155 4.194 4.340 0.015 0.000 0.238 6179 R C 1.295 177.339 176.300 -0.426 0.000 1.134 6179 R CA 1.879 57.795 56.100 -0.307 0.000 0.975 6179 R CB -0.120 29.893 30.300 -0.478 0.000 0.865 6179 R HN 0.298 nan 8.270 nan 0.000 0.447 6180 F N 0.422 120.390 119.950 0.030 0.000 2.678 6180 F HA 0.256 4.798 4.527 0.024 0.000 0.305 6180 F C 0.382 176.187 175.800 0.008 0.000 1.090 6180 F CA -0.424 57.594 58.000 0.030 0.000 1.272 6180 F CB 0.448 39.466 39.000 0.031 0.000 1.060 6180 F HN -0.352 nan 8.300 nan 0.000 0.576 6181 K N 1.202 121.687 120.400 0.142 0.000 2.436 6181 K HA 0.165 4.494 4.320 0.015 0.000 0.282 6181 K C 1.133 177.776 176.600 0.072 0.000 1.044 6181 K CA 0.826 57.196 56.287 0.139 0.000 1.028 6181 K CB 0.200 32.769 32.500 0.116 0.000 0.919 6181 K HN 0.416 nan 8.250 nan 0.000 0.474 6182 G N 2.151 111.009 108.800 0.097 0.000 2.155 6182 G HA2 -0.359 3.610 3.960 0.015 0.000 0.257 6182 G HA3 -0.359 3.610 3.960 0.015 0.000 0.257 6182 G C 1.014 175.866 174.900 -0.080 0.000 0.983 6182 G CA 0.954 46.065 45.100 0.017 0.000 0.676 6182 G HN 0.626 nan 8.290 nan 0.000 0.528 6183 S N -0.826 114.834 115.700 -0.067 0.000 2.387 6183 S HA 0.055 4.533 4.470 0.015 0.000 0.226 6183 S C 2.246 176.610 174.600 -0.393 0.000 1.026 6183 S CA 1.551 59.570 58.200 -0.302 0.000 0.972 6183 S CB -0.267 62.941 63.200 0.012 0.000 0.814 6183 S HN 0.576 nan 8.310 nan 0.000 0.477 6184 M N 1.326 120.953 119.600 0.044 0.000 2.117 6184 M HA -0.105 4.383 4.480 0.015 0.000 0.262 6184 M C 2.519 178.846 176.300 0.045 0.000 1.065 6184 M CA 1.874 57.294 55.300 0.200 0.000 1.114 6184 M CB -0.256 32.522 32.600 0.298 0.000 1.361 6184 M HN 0.360 nan 8.290 nan 0.000 0.408 6185 E N 0.668 120.861 120.200 -0.012 0.000 2.085 6185 E HA -0.245 4.114 4.350 0.015 0.000 0.194 6185 E C 1.588 178.140 176.600 -0.080 0.000 0.994 6185 E CA 1.860 58.242 56.400 -0.031 0.000 0.801 6185 E CB -0.164 29.517 29.700 -0.031 0.000 0.743 6185 E HN 0.657 nan 8.360 nan 0.000 0.453 6186 E N -0.478 119.596 120.200 -0.211 0.000 2.031 6186 E HA -0.186 4.173 4.350 0.015 0.000 0.193 6186 E C 2.112 178.627 176.600 -0.142 0.000 0.994 6186 E CA 1.589 57.821 56.400 -0.280 0.000 0.800 6186 E CB -0.389 28.989 29.700 -0.537 0.000 0.752 6186 E HN 0.427 nan 8.360 nan 0.000 0.447 6187 W N 1.360 122.662 121.300 0.004 0.000 2.338 6187 W HA -0.212 4.450 4.660 0.004 0.000 0.304 6187 W C 2.612 179.093 176.519 -0.063 0.000 1.212 6187 W CA 0.500 57.821 57.345 -0.040 0.000 1.264 6187 W CB -0.238 29.166 29.460 -0.093 0.000 1.142 6187 W HN 0.182 nan 8.180 nan 0.000 0.512 6188 Q N 0.843 120.727 119.800 0.140 0.000 2.096 6188 Q HA -0.223 4.126 4.340 0.015 0.000 0.204 6188 Q C 2.375 178.401 176.000 0.043 0.000 0.982 6188 Q CA 2.041 57.877 55.803 0.055 0.000 0.850 6188 Q CB -0.410 28.343 28.738 0.025 0.000 0.901 6188 Q HN 0.266 nan 8.270 nan 0.000 0.422 6189 A N 0.255 123.095 122.820 0.033 0.000 2.015 6189 A HA -0.105 4.224 4.320 0.015 0.000 0.219 6189 A C 1.832 179.441 177.584 0.042 0.000 1.163 6189 A CA 1.167 53.218 52.037 0.024 0.000 0.646 6189 A CB -0.331 18.669 19.000 0.001 0.000 0.806 6189 A HN 0.454 nan 8.150 nan 0.000 0.448 6190 M N -1.290 118.356 119.600 0.077 0.000 2.618 6190 M HA 0.161 4.650 4.480 0.015 0.000 0.240 6190 M C 1.329 177.673 176.300 0.073 0.000 1.123 6190 M CA 0.769 56.126 55.300 0.094 0.000 1.060 6190 M CB 0.217 32.920 32.600 0.172 0.000 1.535 6190 M HN 0.605 nan 8.290 nan 0.000 0.507 6191 G N 0.645 109.478 108.800 0.056 0.000 2.157 6191 G HA2 -0.205 3.764 3.960 0.015 0.000 0.248 6191 G HA3 -0.205 3.764 3.960 0.015 0.000 0.248 6191 G C 0.079 174.986 174.900 0.012 0.000 0.979 6191 G CA -0.193 44.925 45.100 0.031 0.000 0.650 6191 G HN 0.308 nan 8.290 nan 0.000 0.529 6192 V N 1.762 121.687 119.914 0.019 0.000 2.599 6192 V HA 0.178 4.307 4.120 0.015 0.000 0.300 6192 V C 1.874 177.920 176.094 -0.081 0.000 1.034 6192 V CA 1.199 63.474 62.300 -0.043 0.000 1.115 6192 V CB 1.139 32.922 31.823 -0.067 0.000 0.934 6192 V HN 0.411 nan 8.190 nan 0.000 0.485 6193 M N 3.193 122.734 119.600 -0.098 0.000 2.287 6193 M HA 0.097 4.586 4.480 0.015 0.000 0.266 6193 M C 0.667 176.882 176.300 -0.141 0.000 1.079 6193 M CA 1.070 56.307 55.300 -0.104 0.000 1.146 6193 M CB -0.043 32.514 32.600 -0.072 0.000 1.374 6193 M HN 0.944 nan 8.290 nan 0.000 0.435 6194 N N -1.654 116.937 118.700 -0.182 0.000 3.020 6194 N HA 0.197 4.946 4.740 0.015 0.000 0.248 6194 N C -1.965 173.390 175.510 -0.259 0.000 1.480 6194 N CA -0.673 52.269 53.050 -0.180 0.000 0.874 6194 N CB 1.181 39.623 38.487 -0.076 0.000 1.433 6194 N HN -0.101 nan 8.380 nan 0.000 0.530 6195 Y N -0.321 119.932 120.300 -0.080 0.000 2.364 6195 Y HA 0.472 5.029 4.550 0.012 0.000 0.340 6195 Y C 0.228 176.074 175.900 -0.089 0.000 0.975 6195 Y CA -0.276 57.759 58.100 -0.108 0.000 1.089 6195 Y CB 1.579 39.954 38.460 -0.143 0.000 1.192 6195 Y HN 0.783 nan 8.280 nan 0.000 0.454 6196 E N 0.140 120.403 120.200 0.104 0.000 2.350 6196 E HA 0.564 4.923 4.350 0.015 0.000 0.243 6196 E C -0.948 175.671 176.600 0.031 0.000 0.959 6196 E CA -0.735 55.698 56.400 0.055 0.000 0.883 6196 E CB 1.220 30.943 29.700 0.038 0.000 1.820 6196 E HN 0.434 nan 8.360 nan 0.000 0.441 6197 M N -0.609 119.005 119.600 0.025 0.000 2.327 6197 M HA 0.341 4.830 4.480 0.015 0.000 0.365 6197 M C -0.230 176.074 176.300 0.007 0.000 0.992 6197 M CA 0.215 55.523 55.300 0.013 0.000 0.985 6197 M CB 0.740 33.354 32.600 0.023 0.000 1.673 6197 M HN 0.493 nan 8.290 nan 0.000 0.586 6198 E N -0.678 119.525 120.200 0.005 0.000 2.505 6198 E HA 0.065 4.424 4.350 0.015 0.000 0.212 6198 E C 1.821 178.412 176.600 -0.015 0.000 0.825 6198 E CA 0.706 57.103 56.400 -0.004 0.000 1.333 6198 E CB 0.335 30.035 29.700 0.000 0.000 1.319 6198 E HN 0.298 nan 8.360 nan 0.000 0.658 6199 S N 1.090 116.783 115.700 -0.011 0.000 2.368 6199 S HA -0.126 4.353 4.470 0.015 0.000 0.225 6199 S C 2.238 176.825 174.600 -0.020 0.000 1.030 6199 S CA 1.069 59.259 58.200 -0.017 0.000 0.999 6199 S CB -0.367 62.826 63.200 -0.012 0.000 0.844 6199 S HN 0.231 nan 8.310 nan 0.000 0.459 6200 A N 1.852 124.664 122.820 -0.013 0.000 1.883 6200 A HA -0.070 4.259 4.320 0.015 0.000 0.217 6200 A C 2.473 180.056 177.584 -0.002 0.000 1.186 6200 A CA 2.305 54.342 52.037 0.000 0.000 0.624 6200 A CB -1.795 17.210 19.000 0.009 0.000 0.822 6200 A HN 0.587 nan 8.150 nan 0.000 0.444 6201 T N 0.031 114.576 114.554 -0.015 0.000 2.674 6201 T HA -0.148 4.211 4.350 0.015 0.000 0.265 6201 T C 1.897 176.507 174.700 -0.150 0.000 1.039 6201 T CA 1.568 63.642 62.100 -0.042 0.000 1.150 6201 T CB -0.504 68.351 68.868 -0.022 0.000 0.864 6201 T HN 0.385 nan 8.240 nan 0.000 0.427 6202 L N 0.944 122.085 121.223 -0.137 0.000 1.990 6202 L HA -0.062 4.287 4.340 0.015 0.000 0.213 6202 L C 2.208 178.974 176.870 -0.172 0.000 1.072 6202 L CA 1.754 56.478 54.840 -0.192 0.000 0.755 6202 L CB -0.606 41.377 42.059 -0.127 0.000 0.889 6202 L HN 0.252 nan 8.230 nan 0.000 0.432 6203 L N -1.328 119.845 121.223 -0.082 0.000 2.093 6203 L HA -0.150 4.199 4.340 0.015 0.000 0.208 6203 L C 2.369 179.237 176.870 -0.002 0.000 1.085 6203 L CA 1.537 56.361 54.840 -0.026 0.000 0.755 6203 L CB -1.112 40.954 42.059 0.012 0.000 0.904 6203 L HN 0.312 nan 8.230 nan 0.000 0.435 6204 T N 0.695 115.241 114.554 -0.014 0.000 2.737 6204 T HA -0.207 4.152 4.350 0.015 0.000 0.265 6204 T C 1.871 176.468 174.700 -0.170 0.000 1.038 6204 T CA 1.867 63.978 62.100 0.018 0.000 1.144 6204 T CB -0.246 68.657 68.868 0.058 0.000 0.866 6204 T HN 0.435 nan 8.240 nan 0.000 0.434 6205 M N 0.282 119.633 119.600 -0.415 0.000 2.229 6205 M HA -0.011 4.478 4.480 0.015 0.000 0.264 6205 M C 2.171 178.214 176.300 -0.428 0.000 1.063 6205 M CA 1.473 56.294 55.300 -0.800 0.000 1.114 6205 M CB -1.048 30.574 32.600 -1.630 0.000 1.387 6205 M HN 0.184 nan 8.290 nan 0.000 0.420 6206 C N 1.250 120.389 119.300 -0.269 0.000 2.500 6206 C HA 0.209 4.677 4.460 0.015 0.000 0.279 6206 C C 3.258 178.242 174.990 -0.011 0.000 1.288 6206 C CA 0.918 59.865 59.018 -0.119 0.000 1.710 6206 C CB -1.051 26.650 27.740 -0.066 0.000 2.052 6206 C HN 0.759 nan 8.230 nan 0.000 0.488 6207 A N 0.966 123.812 122.820 0.043 0.000 2.015 6207 A HA -0.100 4.229 4.320 0.015 0.000 0.219 6207 A C 2.110 179.808 177.584 0.191 0.000 1.163 6207 A CA 1.986 54.125 52.037 0.171 0.000 0.646 6207 A CB -0.531 18.650 19.000 0.301 0.000 0.806 6207 A HN 0.699 nan 8.150 nan 0.000 0.448 6208 S N -2.032 113.650 115.700 -0.029 0.000 2.577 6208 S HA 0.205 4.684 4.470 0.015 0.000 0.219 6208 S C 0.865 175.424 174.600 -0.069 0.000 0.962 6208 S CA 0.132 58.217 58.200 -0.192 0.000 0.921 6208 S CB 0.123 62.950 63.200 -0.622 0.000 0.789 6208 S HN 0.604 nan 8.310 nan 0.000 0.497 6209 Q N 0.232 120.020 119.800 -0.021 0.000 2.057 6209 Q HA 0.335 4.684 4.340 0.015 0.000 0.216 6209 Q C 0.605 176.627 176.000 0.037 0.000 0.788 6209 Q CA 0.079 55.887 55.803 0.009 0.000 1.053 6209 Q CB 1.115 29.852 28.738 -0.002 0.000 1.210 6209 Q HN 0.643 nan 8.270 nan 0.000 0.455 6210 G N 1.457 110.288 108.800 0.052 0.000 2.160 6210 G HA2 -0.270 3.699 3.960 0.015 0.000 0.251 6210 G HA3 -0.270 3.699 3.960 0.015 0.000 0.251 6210 G C -0.154 174.791 174.900 0.076 0.000 1.008 6210 G CA 0.206 45.344 45.100 0.064 0.000 0.724 6210 G HN 0.250 nan 8.290 nan 0.000 0.514 6211 L N -0.457 120.818 121.223 0.087 0.000 2.334 6211 L HA 0.651 5.000 4.340 0.015 0.000 0.276 6211 L C 0.909 177.861 176.870 0.137 0.000 1.014 6211 L CA -1.140 53.783 54.840 0.137 0.000 0.815 6211 L CB 1.453 43.637 42.059 0.207 0.000 1.268 6211 L HN 0.058 nan 8.230 nan 0.000 0.428 6212 R N 1.881 122.470 120.500 0.147 0.000 2.297 6212 R HA 0.756 5.105 4.340 0.015 0.000 0.308 6212 R C -0.692 175.711 176.300 0.171 0.000 1.029 6212 R CA -0.498 55.676 56.100 0.123 0.000 0.929 6212 R CB 1.524 31.870 30.300 0.077 0.000 1.046 6212 R HN 0.702 nan 8.270 nan 0.000 0.461 6213 A N 1.574 124.471 122.820 0.128 0.000 2.422 6213 A HA 0.733 5.062 4.320 0.015 0.000 0.302 6213 A C -0.578 177.052 177.584 0.076 0.000 1.041 6213 A CA -0.664 51.450 52.037 0.128 0.000 0.708 6213 A CB 2.031 21.083 19.000 0.087 0.000 1.257 6213 A HN 0.765 nan 8.150 nan 0.000 0.414 6214 G N 0.101 108.943 108.800 0.069 0.000 2.473 6214 G HA2 0.661 4.630 3.960 0.015 0.000 0.321 6214 G HA3 0.661 4.630 3.960 0.015 0.000 0.321 6214 G C -0.980 173.942 174.900 0.036 0.000 1.200 6214 G CA -0.576 44.547 45.100 0.037 0.000 0.963 6214 G HN 0.992 nan 8.290 nan 0.000 0.483 6215 M N 2.035 121.647 119.600 0.021 0.000 2.213 6215 M HA 0.670 5.159 4.480 0.015 0.000 0.286 6215 M C -1.781 174.527 176.300 0.014 0.000 1.008 6215 M CA -0.816 54.495 55.300 0.019 0.000 0.937 6215 M CB 1.891 34.498 32.600 0.013 0.000 1.600 6215 M HN 0.639 nan 8.290 nan 0.000 0.450 6216 V N 4.090 124.014 119.914 0.018 0.000 2.925 6216 V HA 1.049 5.178 4.120 0.015 0.000 0.311 6216 V C -1.657 174.451 176.094 0.023 0.000 1.104 6216 V CA 0.141 62.452 62.300 0.018 0.000 0.954 6216 V CB 2.030 33.863 31.823 0.016 0.000 1.022 6216 V HN 1.204 nan 8.190 nan 0.000 0.427 6217 A N 3.556 126.391 122.820 0.026 0.000 2.572 6217 A HA 0.930 5.259 4.320 0.015 0.000 0.295 6217 A C -0.311 177.296 177.584 0.037 0.000 1.072 6217 A CA -0.158 51.896 52.037 0.029 0.000 0.691 6217 A CB 1.904 20.920 19.000 0.026 0.000 1.291 6217 A HN 1.619 nan 8.150 nan 0.000 0.404 6218 G N -0.015 108.808 108.800 0.039 0.000 2.356 6218 G HA2 0.538 4.507 3.960 0.015 0.000 0.322 6218 G HA3 0.538 4.507 3.960 0.015 0.000 0.322 6218 G C -0.576 174.348 174.900 0.041 0.000 1.125 6218 G CA -0.389 44.738 45.100 0.045 0.000 0.885 6218 G HN 0.903 nan 8.290 nan 0.000 0.467 6219 V N 2.987 122.925 119.914 0.040 0.000 2.508 6219 V HA 0.125 4.254 4.120 0.015 0.000 0.281 6219 V C 1.134 177.249 176.094 0.035 0.000 1.041 6219 V CA 0.083 62.403 62.300 0.033 0.000 1.016 6219 V CB 0.926 32.764 31.823 0.025 0.000 0.984 6219 V HN 0.790 nan 8.190 nan 0.000 0.478 6220 I N 3.511 124.103 120.570 0.037 0.000 4.288 6220 I HA 0.544 4.723 4.170 0.015 0.000 0.331 6220 I C 0.149 176.289 176.117 0.038 0.000 1.322 6220 I CA 0.341 61.664 61.300 0.039 0.000 1.149 6220 I CB 0.989 39.016 38.000 0.045 0.000 1.112 6220 I HN 0.374 nan 8.210 nan 0.000 0.403 6221 V N 1.082 121.016 119.914 0.034 0.000 3.077 6221 V HA 0.475 4.604 4.120 0.015 0.000 0.299 6221 V C -1.832 174.271 176.094 0.016 0.000 1.276 6221 V CA -0.601 61.716 62.300 0.029 0.000 0.993 6221 V CB 2.288 34.135 31.823 0.039 0.000 1.076 6221 V HN 0.328 nan 8.190 nan 0.000 0.434 6222 N N 4.734 123.440 118.700 0.009 0.000 2.469 6222 N HA 0.389 5.138 4.740 0.015 0.000 0.253 6222 N C 0.611 176.123 175.510 0.004 0.000 0.970 6222 N CA -0.549 52.499 53.050 -0.004 0.000 0.940 6222 N CB 1.593 40.068 38.487 -0.020 0.000 1.128 6222 N HN 0.596 nan 8.380 nan 0.000 0.503 6223 R N 1.013 121.522 120.500 0.014 0.000 2.280 6223 R HA -0.024 4.325 4.340 0.015 0.000 0.207 6223 R C 1.344 177.663 176.300 0.031 0.000 1.043 6223 R CA 0.720 56.841 56.100 0.035 0.000 1.006 6223 R CB -0.657 29.692 30.300 0.082 0.000 0.885 6223 R HN 0.662 nan 8.270 nan 0.000 0.467 6224 T N -2.950 111.607 114.554 0.004 0.000 3.118 6224 T HA -0.001 4.357 4.350 0.015 0.000 0.260 6224 T C 1.494 176.190 174.700 -0.006 0.000 1.139 6224 T CA 0.699 62.795 62.100 -0.007 0.000 1.085 6224 T CB 0.221 69.064 68.868 -0.043 0.000 0.934 6224 T HN 0.237 nan 8.240 nan 0.000 0.518 6225 Q N 0.293 120.093 119.800 0.001 0.000 2.580 6225 Q HA 0.265 4.613 4.340 0.015 0.000 0.239 6225 Q C 0.537 176.548 176.000 0.018 0.000 0.873 6225 Q CA -0.021 55.784 55.803 0.003 0.000 0.951 6225 Q CB 0.628 29.364 28.738 -0.003 0.000 1.172 6225 Q HN 0.757 nan 8.270 nan 0.000 0.616 6226 Q N -1.000 118.814 119.800 0.024 0.000 2.482 6226 Q HA 0.344 4.693 4.340 0.015 0.000 0.286 6226 Q C -0.522 175.501 176.000 0.038 0.000 1.007 6226 Q CA -0.539 55.285 55.803 0.036 0.000 0.801 6226 Q CB 1.130 29.890 28.738 0.035 0.000 1.455 6226 Q HN -0.058 nan 8.270 nan 0.000 0.398 6227 E N 0.624 120.855 120.200 0.051 0.000 2.170 6227 E HA 0.110 4.469 4.350 0.015 0.000 0.191 6227 E C 0.553 177.181 176.600 0.046 0.000 0.981 6227 E CA 0.924 57.347 56.400 0.039 0.000 0.830 6227 E CB 0.329 30.073 29.700 0.074 0.000 0.775 6227 E HN 0.576 nan 8.360 nan 0.000 0.470 6228 I N -0.963 119.657 120.570 0.084 0.000 2.582 6228 I HA 0.457 4.636 4.170 0.015 0.000 0.292 6228 I C -2.783 173.383 176.117 0.081 0.000 1.066 6228 I CA -2.967 58.401 61.300 0.113 0.000 1.053 6228 I CB 2.082 40.175 38.000 0.155 0.000 1.241 6228 I HN -0.296 nan 8.210 nan 0.000 0.421 6229 P HA 0.215 nan 4.420 nan 0.000 0.274 6229 P C -0.314 177.014 177.300 0.048 0.000 1.237 6229 P CA -0.206 62.927 63.100 0.055 0.000 0.793 6229 P CB 0.779 32.511 31.700 0.053 0.000 0.977 6230 N N 0.800 119.522 118.700 0.037 0.000 2.188 6230 N HA -0.071 4.678 4.740 0.015 0.000 0.184 6230 N C 1.110 176.636 175.510 0.027 0.000 1.018 6230 N CA 1.203 54.272 53.050 0.031 0.000 0.858 6230 N CB -1.198 37.304 38.487 0.025 0.000 0.989 6230 N HN 0.689 nan 8.380 nan 0.000 0.426 6240 H N 1.802 120.868 119.070 -0.006 0.000 2.321 6240 H HA 0.263 4.828 4.556 0.015 0.000 0.300 6240 H C 2.423 177.747 175.328 -0.008 0.000 1.087 6240 H CA 2.063 58.107 56.048 -0.007 0.000 1.319 6240 H CB -0.166 29.593 29.762 -0.004 0.000 1.379 6240 H HN 0.489 nan 8.280 nan 0.000 0.501 6241 A N 0.326 123.218 122.820 0.121 0.000 1.933 6241 A HA -0.134 4.195 4.320 0.015 0.000 0.218 6241 A C 2.540 180.142 177.584 0.030 0.000 1.175 6241 A CA 1.599 53.674 52.037 0.063 0.000 0.628 6241 A CB -0.758 18.274 19.000 0.054 0.000 0.814 6241 A HN 0.249 nan 8.150 nan 0.000 0.444 6242 V N 0.020 119.943 119.914 0.014 0.000 2.307 6242 V HA -0.253 3.876 4.120 0.015 0.000 0.245 6242 V C 2.439 178.523 176.094 -0.017 0.000 1.045 6242 V CA 2.281 64.575 62.300 -0.009 0.000 1.024 6242 V CB -0.633 31.174 31.823 -0.025 0.000 0.651 6242 V HN 0.528 nan 8.190 nan 0.000 0.449 6243 K N -0.349 120.034 120.400 -0.027 0.000 2.103 6243 K HA -0.128 4.201 4.320 0.015 0.000 0.207 6243 K C 2.029 178.621 176.600 -0.013 0.000 1.048 6243 K CA 1.576 57.844 56.287 -0.033 0.000 0.930 6243 K CB -0.288 32.176 32.500 -0.059 0.000 0.716 6243 K HN 0.409 nan 8.250 nan 0.000 0.444 6244 I N 0.063 120.636 120.570 0.005 0.000 2.252 6244 I HA -0.239 3.939 4.170 0.015 0.000 0.245 6244 I C 2.289 178.405 176.117 -0.001 0.000 1.102 6244 I CA 0.747 62.051 61.300 0.007 0.000 1.385 6244 I CB -0.150 37.862 38.000 0.019 0.000 1.064 6244 I HN -0.024 nan 8.210 nan 0.000 0.414 6245 V N 0.308 120.223 119.914 0.001 0.000 2.515 6245 V HA -0.187 3.942 4.120 0.015 0.000 0.250 6245 V C 2.327 178.418 176.094 -0.006 0.000 1.058 6245 V CA 1.573 63.873 62.300 -0.000 0.000 1.064 6245 V CB 0.186 32.013 31.823 0.007 0.000 0.675 6245 V HN 0.207 nan 8.190 nan 0.000 0.461 6246 V N 0.041 119.948 119.914 -0.010 0.000 2.307 6246 V HA -0.188 3.941 4.120 0.015 0.000 0.245 6246 V C 2.494 178.580 176.094 -0.014 0.000 1.045 6246 V CA 2.217 64.509 62.300 -0.014 0.000 1.024 6246 V CB -0.628 31.183 31.823 -0.020 0.000 0.651 6246 V HN 0.671 nan 8.190 nan 0.000 0.449 6247 E N 0.958 121.149 120.200 -0.015 0.000 2.110 6247 E HA -0.165 4.194 4.350 0.015 0.000 0.193 6247 E C 2.090 178.679 176.600 -0.017 0.000 0.988 6247 E CA 1.633 58.024 56.400 -0.015 0.000 0.804 6247 E CB -0.459 29.233 29.700 -0.014 0.000 0.745 6247 E HN 0.498 nan 8.360 nan 0.000 0.458 6248 A N 0.777 123.587 122.820 -0.017 0.000 1.933 6248 A HA -0.039 4.290 4.320 0.015 0.000 0.218 6248 A C 2.443 180.014 177.584 -0.022 0.000 1.175 6248 A CA 1.961 53.985 52.037 -0.022 0.000 0.628 6248 A CB -0.999 17.989 19.000 -0.021 0.000 0.814 6248 A HN 0.396 nan 8.150 nan 0.000 0.444 6249 A N -0.150 122.660 122.820 -0.017 0.000 1.933 6249 A HA -0.170 4.159 4.320 0.015 0.000 0.218 6249 A C 2.203 179.775 177.584 -0.020 0.000 1.175 6249 A CA 1.459 53.485 52.037 -0.019 0.000 0.628 6249 A CB -0.478 18.512 19.000 -0.016 0.000 0.814 6249 A HN 0.562 nan 8.150 nan 0.000 0.444 6250 R N -0.467 120.023 120.500 -0.017 0.000 2.105 6250 R HA -0.128 4.221 4.340 0.015 0.000 0.239 6250 R C 2.050 178.340 176.300 -0.017 0.000 1.135 6250 R CA 1.642 57.733 56.100 -0.016 0.000 0.967 6250 R CB -0.280 30.012 30.300 -0.014 0.000 0.861 6250 R HN 0.539 nan 8.270 nan 0.000 0.442 6251 R N 0.205 120.693 120.500 -0.020 0.000 2.299 6251 R HA 0.065 4.414 4.340 0.015 0.000 0.197 6251 R C 1.314 177.602 176.300 -0.021 0.000 0.971 6251 R CA 0.512 56.600 56.100 -0.021 0.000 1.030 6251 R CB 0.174 30.459 30.300 -0.026 0.000 0.932 6251 R HN 0.213 nan 8.270 nan 0.000 0.477 6252 L N 0.849 122.059 121.223 -0.022 0.000 2.769 6252 L HA 0.256 4.605 4.340 0.015 0.000 0.240 6252 L C 0.359 177.216 176.870 -0.023 0.000 1.163 6252 L CA -0.181 54.646 54.840 -0.022 0.000 0.962 6252 L CB 0.259 42.303 42.059 -0.026 0.000 1.258 6252 L HN 0.015 nan 8.230 nan 0.000 0.513 6253 L N 0.000 121.211 121.223 -0.020 0.000 2.949 6253 L HA 0.000 4.349 4.340 0.015 0.000 0.249 6253 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 6253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502