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 3ddo_1_F 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 0.000 174.601 174.600 0.001 0.000 1.055 6004 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 6004 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 6005 D N 1.177 121.581 120.400 0.007 0.000 2.347 6005 D HA 0.139 4.775 4.640 -0.006 0.000 0.213 6005 D C 0.966 177.285 176.300 0.031 0.000 0.985 6005 D CA 1.440 55.450 54.000 0.017 0.000 0.879 6005 D CB 0.349 41.158 40.800 0.016 0.000 0.919 6005 D HN 0.585 nan 8.370 nan 0.000 0.526 6006 V N -2.924 117.008 119.914 0.030 0.000 3.102 6006 V HA 0.382 4.498 4.120 -0.006 0.000 0.312 6006 V C 0.632 176.770 176.094 0.073 0.000 1.135 6006 V CA -0.998 61.338 62.300 0.059 0.000 1.022 6006 V CB 1.702 33.551 31.823 0.045 0.000 1.056 6006 V HN -0.183 nan 8.190 nan 0.000 0.436 6007 F N 0.789 120.699 119.950 -0.067 0.000 2.367 6007 F HA 0.175 4.698 4.527 -0.006 0.000 0.298 6007 F C 1.723 177.326 175.800 -0.327 0.000 1.094 6007 F CA 2.128 60.010 58.000 -0.196 0.000 1.409 6007 F CB -0.122 38.733 39.000 -0.243 0.000 1.064 6007 F HN 0.835 nan 8.300 nan 0.000 0.528 6008 H N -1.744 117.201 119.070 -0.208 0.000 2.657 6008 H HA 0.268 4.820 4.556 -0.006 0.000 0.262 6008 H C 2.017 177.223 175.328 -0.203 0.000 0.965 6008 H CA 0.695 56.575 56.048 -0.279 0.000 1.184 6008 H CB -0.024 29.607 29.762 -0.218 0.000 1.443 6008 H HN 0.076 nan 8.280 nan 0.000 0.462 6009 L N -0.219 120.963 121.223 -0.069 0.000 2.313 6009 L HA 0.132 4.468 4.340 -0.006 0.000 0.214 6009 L C 1.100 178.022 176.870 0.087 0.000 1.119 6009 L CA 0.792 55.632 54.840 -0.001 0.000 0.809 6009 L CB -0.276 41.758 42.059 -0.041 0.000 0.933 6009 L HN 0.548 nan 8.230 nan 0.000 0.449 6010 G N 1.223 109.982 108.800 -0.069 0.000 2.225 6010 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.264 6010 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.264 6010 G C -0.187 174.737 174.900 0.041 0.000 1.060 6010 G CA 0.049 45.105 45.100 -0.072 0.000 0.833 6010 G HN 0.242 nan 8.290 nan 0.000 0.498 6011 L N -0.191 121.042 121.223 0.017 0.000 2.354 6011 L HA 0.847 5.184 4.340 -0.006 0.000 0.264 6011 L C 0.731 177.607 176.870 0.010 0.000 1.008 6011 L CA -0.588 54.265 54.840 0.023 0.000 0.819 6011 L CB 2.421 44.498 42.059 0.029 0.000 1.339 6011 L HN 0.365 nan 8.230 nan 0.000 0.420 6012 T N -3.306 111.254 114.554 0.009 0.000 2.942 6012 T HA 0.381 4.727 4.350 -0.006 0.000 0.289 6012 T C 0.622 175.326 174.700 0.007 0.000 1.044 6012 T CA -0.900 61.204 62.100 0.007 0.000 1.023 6012 T CB 2.023 70.893 68.868 0.003 0.000 1.123 6012 T HN 0.522 nan 8.240 nan 0.000 0.512 6013 K N 0.396 120.800 120.400 0.007 0.000 2.103 6013 K HA -0.161 4.156 4.320 -0.006 0.000 0.207 6013 K C 2.098 178.699 176.600 0.002 0.000 1.048 6013 K CA 1.561 57.852 56.287 0.006 0.000 0.930 6013 K CB -0.347 32.156 32.500 0.006 0.000 0.716 6013 K HN 0.627 nan 8.250 nan 0.000 0.444 6014 N N 1.611 120.312 118.700 0.000 0.000 2.149 6014 N HA -0.179 4.557 4.740 -0.006 0.000 0.188 6014 N C 1.155 176.662 175.510 -0.005 0.000 1.019 6014 N CA 1.558 54.606 53.050 -0.003 0.000 0.857 6014 N CB -0.075 38.410 38.487 -0.004 0.000 0.997 6014 N HN 0.097 nan 8.380 nan 0.000 0.426 6015 D N -0.362 120.036 120.400 -0.004 0.000 2.221 6015 D HA -0.120 4.517 4.640 -0.006 0.000 0.204 6015 D C 1.561 177.859 176.300 -0.004 0.000 0.982 6015 D CA 0.665 54.660 54.000 -0.007 0.000 0.857 6015 D CB -0.100 40.697 40.800 -0.005 0.000 0.934 6015 D HN 0.300 nan 8.370 nan 0.000 0.475 6016 L N 0.430 121.653 121.223 -0.001 0.000 2.313 6016 L HA -0.004 4.332 4.340 -0.006 0.000 0.214 6016 L C 0.828 177.696 176.870 -0.004 0.000 1.119 6016 L CA 0.547 55.386 54.840 -0.001 0.000 0.809 6016 L CB -0.264 41.792 42.059 -0.005 0.000 0.933 6016 L HN -0.070 nan 8.230 nan 0.000 0.449 6017 Q N -0.075 119.723 119.800 -0.005 0.000 2.457 6017 Q HA -0.278 4.058 4.340 -0.006 0.000 0.283 6017 Q C 1.223 177.220 176.000 -0.007 0.000 1.234 6017 Q CA 0.951 56.752 55.803 -0.005 0.000 0.877 6017 Q CB -2.150 26.586 28.738 -0.003 0.000 1.250 6017 Q HN 0.681 nan 8.270 nan 0.000 0.481 6018 G N -2.036 106.759 108.800 -0.009 0.000 2.175 6018 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.244 6018 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.244 6018 G C 0.337 175.226 174.900 -0.019 0.000 0.982 6018 G CA 0.295 45.388 45.100 -0.012 0.000 0.641 6018 G HN 1.222 nan 8.290 nan 0.000 0.527 6019 A N -0.150 122.657 122.820 -0.022 0.000 2.565 6019 A HA 0.526 4.843 4.320 -0.006 0.000 0.237 6019 A C 1.052 178.602 177.584 -0.056 0.000 1.053 6019 A CA 1.476 53.491 52.037 -0.035 0.000 0.755 6019 A CB 0.175 19.156 19.000 -0.032 0.000 0.980 6019 A HN 0.585 nan 8.150 nan 0.000 0.506 6020 Q N 0.856 120.612 119.800 -0.073 0.000 2.164 6020 Q HA 0.329 4.666 4.340 -0.006 0.000 0.226 6020 Q C -0.521 175.378 176.000 -0.168 0.000 0.813 6020 Q CA -0.013 55.730 55.803 -0.101 0.000 0.978 6020 Q CB 0.714 29.412 28.738 -0.067 0.000 1.149 6020 Q HN 0.734 nan 8.270 nan 0.000 0.489 6021 L N 0.589 121.716 121.223 -0.161 0.000 2.386 6021 L HA 0.810 5.146 4.340 -0.006 0.000 0.271 6021 L C -1.705 175.045 176.870 -0.200 0.000 0.993 6021 L CA -0.663 54.055 54.840 -0.203 0.000 0.819 6021 L CB 1.685 43.673 42.059 -0.118 0.000 1.294 6021 L HN -0.089 nan 8.230 nan 0.000 0.414 6022 A N 5.756 128.406 122.820 -0.284 0.000 2.343 6022 A HA 0.710 5.026 4.320 -0.006 0.000 0.316 6022 A C -0.932 176.627 177.584 -0.043 0.000 1.104 6022 A CA -0.557 51.391 52.037 -0.148 0.000 0.768 6022 A CB 1.029 19.938 19.000 -0.152 0.000 1.213 6022 A HN 0.676 nan 8.150 nan 0.000 0.456 6023 I N 2.594 123.169 120.570 0.009 0.000 2.342 6023 I HA 0.372 4.538 4.170 -0.006 0.000 0.291 6023 I C -0.207 175.955 176.117 0.076 0.000 1.010 6023 I CA -0.603 60.721 61.300 0.039 0.000 1.308 6023 I CB 1.709 39.720 38.000 0.017 0.000 1.400 6023 I HN 0.457 nan 8.210 nan 0.000 0.488 6024 V N 5.581 125.554 119.914 0.099 0.000 2.289 6024 V HA 0.508 4.624 4.120 -0.006 0.000 0.272 6024 V C -2.557 173.584 176.094 0.078 0.000 1.026 6024 V CA -1.917 60.452 62.300 0.115 0.000 0.807 6024 V CB 0.502 32.428 31.823 0.173 0.000 1.044 6024 V HN 0.463 nan 8.190 nan 0.000 0.443 6025 P HA 0.309 nan 4.420 nan 0.000 0.276 6025 P C 1.008 178.331 177.300 0.039 0.000 1.252 6025 P CA 0.246 63.368 63.100 0.036 0.000 0.802 6025 P CB 1.848 33.558 31.700 0.016 0.000 1.035 6026 G N 0.103 108.916 108.800 0.022 0.000 2.396 6026 G HA2 -0.096 3.860 3.960 -0.006 0.000 0.214 6026 G HA3 -0.096 3.860 3.960 -0.006 0.000 0.214 6026 G C 0.295 175.192 174.900 -0.004 0.000 1.166 6026 G CA 0.485 45.592 45.100 0.012 0.000 0.793 6026 G HN 0.524 nan 8.290 nan 0.000 0.533 6027 D N 0.165 120.560 120.400 -0.009 0.000 2.280 6027 D HA 0.304 4.941 4.640 -0.006 0.000 0.243 6027 D C -1.384 174.908 176.300 -0.013 0.000 1.129 6027 D CA -2.494 51.492 54.000 -0.023 0.000 0.848 6027 D CB 1.955 42.738 40.800 -0.028 0.000 1.107 6027 D HN -0.077 nan 8.370 nan 0.000 0.471 6028 P HA -0.154 nan 4.420 nan 0.000 0.216 6028 P C 1.011 178.313 177.300 0.004 0.000 1.150 6028 P CA 0.770 63.874 63.100 0.008 0.000 0.843 6028 P CB 0.262 31.958 31.700 -0.006 0.000 0.787 6029 E N -0.286 119.905 120.200 -0.016 0.000 2.409 6029 E HA -0.177 4.169 4.350 -0.006 0.000 0.198 6029 E C 1.923 178.491 176.600 -0.053 0.000 1.024 6029 E CA 0.557 56.941 56.400 -0.026 0.000 0.861 6029 E CB -0.085 29.599 29.700 -0.027 0.000 0.788 6029 E HN 0.138 nan 8.360 nan 0.000 0.521 6030 R N -0.278 120.191 120.500 -0.052 0.000 2.280 6030 R HA 0.035 4.371 4.340 -0.006 0.000 0.195 6030 R C 2.102 178.332 176.300 -0.117 0.000 0.935 6030 R CA 0.216 56.272 56.100 -0.073 0.000 1.033 6030 R CB 0.309 30.582 30.300 -0.045 0.000 0.964 6030 R HN -0.012 nan 8.270 nan 0.000 0.489 6031 V N 1.146 120.993 119.914 -0.111 0.000 2.261 6031 V HA -0.263 3.853 4.120 -0.006 0.000 0.246 6031 V C 2.226 178.047 176.094 -0.455 0.000 1.047 6031 V CA 2.287 64.493 62.300 -0.158 0.000 1.015 6031 V CB -0.483 31.338 31.823 -0.004 0.000 0.642 6031 V HN 0.466 nan 8.190 nan 0.000 0.446 6032 E N 0.266 120.072 120.200 -0.658 0.000 2.110 6032 E HA -0.263 4.083 4.350 -0.006 0.000 0.193 6032 E C 2.200 178.395 176.600 -0.676 0.000 0.988 6032 E CA 1.402 57.103 56.400 -1.165 0.000 0.804 6032 E CB -0.045 29.167 29.700 -0.813 0.000 0.745 6032 E HN 0.611 nan 8.360 nan 0.000 0.458 6033 K N 0.075 120.251 120.400 -0.373 0.000 2.097 6033 K HA -0.090 4.227 4.320 -0.006 0.000 0.205 6033 K C 2.194 178.672 176.600 -0.203 0.000 1.050 6033 K CA 1.306 57.452 56.287 -0.235 0.000 0.938 6033 K CB -0.047 32.365 32.500 -0.147 0.000 0.718 6033 K HN 0.237 nan 8.250 nan 0.000 0.442 6034 I N 1.034 121.486 120.570 -0.198 0.000 2.286 6034 I HA -0.204 3.962 4.170 -0.006 0.000 0.245 6034 I C 2.511 178.543 176.117 -0.143 0.000 1.104 6034 I CA 0.814 62.033 61.300 -0.135 0.000 1.397 6034 I CB -0.340 37.603 38.000 -0.094 0.000 1.072 6034 I HN 0.107 nan 8.210 nan 0.000 0.417 6035 A N 0.884 123.572 122.820 -0.219 0.000 1.940 6035 A HA -0.205 4.111 4.320 -0.006 0.000 0.219 6035 A C 2.448 179.952 177.584 -0.134 0.000 1.176 6035 A CA 1.883 53.825 52.037 -0.159 0.000 0.631 6035 A CB -0.813 18.055 19.000 -0.220 0.000 0.814 6035 A HN 0.442 nan 8.150 nan 0.000 0.446 6036 A N -0.596 122.096 122.820 -0.213 0.000 2.172 6036 A HA 0.132 4.448 4.320 -0.006 0.000 0.216 6036 A C 1.800 179.340 177.584 -0.073 0.000 1.154 6036 A CA 1.094 53.051 52.037 -0.134 0.000 0.701 6036 A CB -0.522 18.381 19.000 -0.162 0.000 0.789 6036 A HN 0.503 nan 8.150 nan 0.000 0.465 6037 L N -1.438 119.742 121.223 -0.071 0.000 2.591 6037 L HA 0.201 4.537 4.340 -0.006 0.000 0.228 6037 L C 0.881 177.733 176.870 -0.030 0.000 1.133 6037 L CA -0.044 54.768 54.840 -0.048 0.000 0.880 6037 L CB -0.352 41.677 42.059 -0.051 0.000 1.033 6037 L HN 0.383 nan 8.230 nan 0.000 0.450 6038 M N -1.570 118.018 119.600 -0.021 0.000 2.852 6038 M HA 0.348 4.825 4.480 -0.006 0.000 0.301 6038 M C -0.784 175.523 176.300 0.012 0.000 1.229 6038 M CA -0.885 54.413 55.300 -0.003 0.000 0.832 6038 M CB 1.495 34.097 32.600 0.003 0.000 1.726 6038 M HN -0.191 nan 8.290 nan 0.000 0.497 6039 D N 1.015 121.426 120.400 0.018 0.000 2.313 6039 D HA 0.181 4.817 4.640 -0.006 0.000 0.247 6039 D C -0.453 175.873 176.300 0.043 0.000 1.094 6039 D CA 0.074 54.088 54.000 0.024 0.000 0.925 6039 D CB 0.736 41.545 40.800 0.016 0.000 1.188 6039 D HN 0.430 nan 8.370 nan 0.000 0.430 6040 K N -0.424 120.004 120.400 0.048 0.000 3.278 6040 K HA -0.152 4.164 4.320 -0.006 0.000 0.270 6040 K C -2.399 174.259 176.600 0.098 0.000 0.955 6040 K CA 0.040 56.362 56.287 0.059 0.000 0.723 6040 K CB -1.253 31.270 32.500 0.039 0.000 1.382 6040 K HN 0.314 nan 8.250 nan 0.000 0.461 6041 P HA 0.178 nan 4.420 nan 0.000 0.276 6041 P C -0.501 176.990 177.300 0.319 0.000 1.230 6041 P CA -0.245 63.030 63.100 0.291 0.000 0.776 6041 P CB 1.283 33.171 31.700 0.314 0.000 0.888 6042 V N 3.326 123.379 119.914 0.232 0.000 2.668 6042 V HA 0.281 4.397 4.120 -0.006 0.000 0.304 6042 V C 0.212 175.936 176.094 -0.616 0.000 1.071 6042 V CA -0.936 61.272 62.300 -0.154 0.000 0.894 6042 V CB 2.022 33.790 31.823 -0.092 0.000 1.008 6042 V HN 0.470 nan 8.190 nan 0.000 0.425 6043 K N 3.508 123.089 120.400 -1.365 0.000 2.350 6043 K HA 0.405 4.721 4.320 -0.006 0.000 0.279 6043 K C 0.140 176.335 176.600 -0.675 0.000 1.027 6043 K CA -0.117 55.183 56.287 -1.645 0.000 0.969 6043 K CB 0.760 32.386 32.500 -1.456 0.000 0.954 6043 K HN 0.659 nan 8.250 nan 0.000 0.474 6044 L N 2.386 123.334 121.223 -0.458 0.000 2.435 6044 L HA 0.376 4.713 4.340 -0.006 0.000 0.195 6044 L C 0.446 177.234 176.870 -0.136 0.000 1.072 6044 L CA 0.108 54.826 54.840 -0.202 0.000 0.833 6044 L CB 0.310 42.318 42.059 -0.085 0.000 1.081 6044 L HN 0.781 nan 8.230 nan 0.000 0.485 6045 A N -0.976 121.781 122.820 -0.105 0.000 2.601 6045 A HA 0.620 4.937 4.320 -0.006 0.000 0.291 6045 A C -1.267 176.270 177.584 -0.080 0.000 1.075 6045 A CA -0.273 51.723 52.037 -0.069 0.000 0.671 6045 A CB 1.720 20.770 19.000 0.082 0.000 1.277 6045 A HN -0.115 nan 8.150 nan 0.000 0.417 6046 S N 0.589 116.131 115.700 -0.264 0.000 2.750 6046 S HA 0.661 5.128 4.470 -0.006 0.000 0.276 6046 S C -1.700 172.613 174.600 -0.478 0.000 1.165 6046 S CA -0.482 57.597 58.200 -0.202 0.000 1.047 6046 S CB 0.383 63.517 63.200 -0.111 0.000 1.056 6046 S HN 0.723 nan 8.310 nan 0.000 0.481 6047 H N 3.515 122.650 119.070 0.108 0.000 2.856 6047 H HA 0.524 5.077 4.556 -0.006 0.000 0.355 6047 H C 0.537 175.933 175.328 0.114 0.000 1.079 6047 H CA -0.513 55.595 56.048 0.100 0.000 1.240 6047 H CB 1.571 31.397 29.762 0.107 0.000 1.701 6047 H HN 0.774 nan 8.280 nan 0.000 0.527 6048 R N 0.512 121.090 120.500 0.130 0.000 3.750 6048 R HA -0.229 4.108 4.340 -0.006 0.000 0.495 6048 R C 1.034 177.240 176.300 -0.157 0.000 0.241 6048 R CA 1.893 57.985 56.100 -0.014 0.000 1.551 6048 R CB -0.731 29.571 30.300 0.002 0.000 0.956 6048 R HN 0.773 nan 8.270 nan 0.000 0.584 6049 E N 1.758 121.679 120.200 -0.465 0.000 2.445 6049 E HA 0.015 4.362 4.350 -0.006 0.000 0.189 6049 E C -0.308 176.020 176.600 -0.454 0.000 1.069 6049 E CA 0.593 56.707 56.400 -0.476 0.000 0.871 6049 E CB 0.122 29.510 29.700 -0.522 0.000 0.991 6049 E HN 0.291 nan 8.360 nan 0.000 0.481 6050 F N 1.598 121.584 119.950 0.060 0.000 2.293 6050 F HA 0.319 4.843 4.527 -0.006 0.000 0.370 6050 F C 0.187 176.036 175.800 0.082 0.000 1.090 6050 F CA -0.654 57.392 58.000 0.076 0.000 1.133 6050 F CB 1.490 40.548 39.000 0.097 0.000 1.360 6050 F HN -0.327 nan 8.300 nan 0.000 0.489 6051 T N 2.121 116.808 114.554 0.222 0.000 2.794 6051 T HA 0.568 4.914 4.350 -0.006 0.000 0.280 6051 T C -0.257 174.591 174.700 0.247 0.000 0.987 6051 T CA -0.721 61.497 62.100 0.197 0.000 0.993 6051 T CB 1.103 70.073 68.868 0.170 0.000 0.939 6051 T HN 0.520 nan 8.240 nan 0.000 0.449 6052 S N 2.167 118.010 115.700 0.239 0.000 2.538 6052 S HA 0.769 5.235 4.470 -0.006 0.000 0.288 6052 S C -1.617 173.139 174.600 0.260 0.000 1.108 6052 S CA -1.011 57.332 58.200 0.240 0.000 0.971 6052 S CB 1.191 64.482 63.200 0.153 0.000 1.041 6052 S HN 0.655 nan 8.310 nan 0.000 0.483 6053 W N 1.175 122.491 121.300 0.028 0.000 2.882 6053 W HA 0.675 5.332 4.660 -0.006 0.000 0.345 6053 W C 0.240 176.766 176.519 0.011 0.000 1.125 6053 W CA -0.837 56.518 57.345 0.015 0.000 1.167 6053 W CB 1.854 31.320 29.460 0.010 0.000 1.431 6053 W HN 0.777 nan 8.180 nan 0.000 0.543 6054 R N 1.432 122.052 120.500 0.200 0.000 2.732 6054 R HA 0.902 5.238 4.340 -0.006 0.000 0.278 6054 R C -0.640 175.757 176.300 0.161 0.000 0.976 6054 R CA -0.335 55.843 56.100 0.130 0.000 0.963 6054 R CB 1.541 31.872 30.300 0.051 0.000 1.150 6054 R HN 0.646 nan 8.270 nan 0.000 0.478 6055 A N 2.082 124.966 122.820 0.107 0.000 2.534 6055 A HA 0.491 4.807 4.320 -0.006 0.000 0.300 6055 A C -1.622 175.990 177.584 0.048 0.000 1.223 6055 A CA -0.678 51.413 52.037 0.091 0.000 0.666 6055 A CB 1.733 20.788 19.000 0.092 0.000 1.316 6055 A HN 0.701 nan 8.150 nan 0.000 0.468 6056 E N -0.622 119.599 120.200 0.036 0.000 2.272 6056 E HA 0.575 4.921 4.350 -0.006 0.000 0.269 6056 E C -2.234 174.372 176.600 0.010 0.000 0.877 6056 E CA -0.605 55.806 56.400 0.019 0.000 0.755 6056 E CB 2.083 31.793 29.700 0.018 0.000 1.192 6056 E HN 0.405 nan 8.360 nan 0.000 0.422 6057 L N 4.200 125.425 121.223 0.002 0.000 2.406 6057 L HA 0.314 4.650 4.340 -0.006 0.000 0.270 6057 L C -1.073 175.794 176.870 -0.006 0.000 0.982 6057 L CA -0.046 54.792 54.840 -0.004 0.000 0.843 6057 L CB 1.305 43.359 42.059 -0.008 0.000 1.225 6057 L HN 0.612 nan 8.230 nan 0.000 0.412 6058 D N 4.278 124.674 120.400 -0.005 0.000 2.751 6058 D HA -0.204 4.433 4.640 -0.006 0.000 0.233 6058 D C 1.159 177.456 176.300 -0.004 0.000 1.149 6058 D CA 1.523 55.519 54.000 -0.006 0.000 0.682 6058 D CB -0.917 39.878 40.800 -0.008 0.000 1.068 6058 D HN 1.152 nan 8.370 nan 0.000 0.429 6059 G N -0.796 108.002 108.800 -0.002 0.000 2.179 6059 G HA2 -0.354 3.603 3.960 -0.006 0.000 0.260 6059 G HA3 -0.354 3.603 3.960 -0.006 0.000 0.260 6059 G C 0.262 175.161 174.900 -0.002 0.000 0.977 6059 G CA 0.718 45.818 45.100 -0.001 0.000 0.641 6059 G HN 0.470 nan 8.290 nan 0.000 0.533 6060 K N 0.583 120.980 120.400 -0.004 0.000 2.221 6060 K HA 0.705 5.022 4.320 -0.006 0.000 0.258 6060 K C 0.462 177.059 176.600 -0.005 0.000 0.944 6060 K CA -0.125 56.158 56.287 -0.006 0.000 0.823 6060 K CB 1.989 34.483 32.500 -0.011 0.000 1.113 6060 K HN 0.468 nan 8.250 nan 0.000 0.431 6061 A N 2.301 125.118 122.820 -0.005 0.000 2.462 6061 A HA 0.337 4.653 4.320 -0.006 0.000 0.243 6061 A C -0.220 177.359 177.584 -0.008 0.000 1.076 6061 A CA -0.142 51.895 52.037 -0.001 0.000 0.773 6061 A CB 0.305 19.304 19.000 -0.002 0.000 1.010 6061 A HN 0.424 nan 8.150 nan 0.000 0.493 6062 V N 3.663 123.578 119.914 0.002 0.000 2.876 6062 V HA 0.385 4.501 4.120 -0.006 0.000 0.312 6062 V C -0.527 175.576 176.094 0.015 0.000 1.085 6062 V CA -0.682 61.615 62.300 -0.006 0.000 0.945 6062 V CB 1.945 33.764 31.823 -0.005 0.000 1.017 6062 V HN 0.758 nan 8.190 nan 0.000 0.428 6063 I N 3.519 124.091 120.570 0.003 0.000 2.460 6063 I HA 0.513 4.679 4.170 -0.006 0.000 0.298 6063 I C -0.308 175.841 176.117 0.053 0.000 0.989 6063 I CA -0.527 60.795 61.300 0.037 0.000 1.173 6063 I CB 1.924 39.935 38.000 0.018 0.000 1.338 6063 I HN 0.263 nan 8.210 nan 0.000 0.456 6064 V N 5.265 125.242 119.914 0.104 0.000 2.409 6064 V HA 0.441 4.558 4.120 -0.006 0.000 0.291 6064 V C -0.380 175.801 176.094 0.145 0.000 1.020 6064 V CA -0.487 61.873 62.300 0.100 0.000 0.848 6064 V CB 2.002 33.868 31.823 0.072 0.000 0.990 6064 V HN 0.897 nan 8.190 nan 0.000 0.430 6065 C N 4.956 124.337 119.300 0.135 0.000 2.551 6065 C HA 0.690 5.147 4.460 -0.006 0.000 0.332 6065 C C 0.510 175.602 174.990 0.170 0.000 1.139 6065 C CA -0.379 58.741 59.018 0.170 0.000 1.328 6065 C CB 1.134 28.975 27.740 0.167 0.000 1.903 6065 C HN 1.064 nan 8.230 nan 0.000 0.459 6066 S N 3.323 119.131 115.700 0.181 0.000 2.585 6066 S HA 0.382 4.848 4.470 -0.006 0.000 0.273 6066 S C 0.918 175.658 174.600 0.233 0.000 1.339 6066 S CA 0.442 58.733 58.200 0.151 0.000 1.028 6066 S CB 1.283 64.538 63.200 0.091 0.000 0.906 6066 S HN 1.060 nan 8.310 nan 0.000 0.528 6067 T N -1.664 112.986 114.554 0.160 0.000 2.990 6067 T HA 0.531 4.877 4.350 -0.006 0.000 0.250 6067 T C 1.178 175.929 174.700 0.085 0.000 1.041 6067 T CA 0.278 62.501 62.100 0.205 0.000 1.010 6067 T CB -0.858 68.080 68.868 0.117 0.000 1.003 6067 T HN 1.943 nan 8.240 nan 0.000 0.499 6068 G N 1.532 110.314 108.800 -0.030 0.000 2.828 6068 G HA2 -0.121 3.836 3.960 -0.006 0.000 0.463 6068 G HA3 -0.121 3.836 3.960 -0.006 0.000 0.463 6068 G C -0.594 174.279 174.900 -0.045 0.000 1.394 6068 G CA -0.531 44.508 45.100 -0.103 0.000 0.862 6068 G HN 0.630 nan 8.290 nan 0.000 0.540 6069 I N 2.095 122.631 120.570 -0.057 0.000 2.416 6069 I HA 0.519 4.685 4.170 -0.006 0.000 0.288 6069 I C 1.109 177.214 176.117 -0.019 0.000 1.051 6069 I CA 1.153 62.434 61.300 -0.032 0.000 1.375 6069 I CB 0.646 38.620 38.000 -0.043 0.000 1.407 6069 I HN 1.959 nan 8.210 nan 0.000 0.516 6070 G N 3.856 112.654 108.800 -0.004 0.000 2.617 6070 G HA2 -0.073 3.883 3.960 -0.006 0.000 0.686 6070 G HA3 -0.073 3.883 3.960 -0.006 0.000 0.686 6070 G C 0.498 175.400 174.900 0.003 0.000 1.214 6070 G CA -0.478 44.622 45.100 -0.001 0.000 0.796 6070 G HN 0.908 nan 8.290 nan 0.000 0.654 6071 G N 0.406 109.206 108.800 -0.000 0.000 2.442 6071 G HA2 0.075 4.032 3.960 -0.006 0.000 0.219 6071 G HA3 0.075 4.032 3.960 -0.006 0.000 0.219 6071 G C 0.106 175.010 174.900 0.006 0.000 1.141 6071 G CA 2.100 47.199 45.100 -0.002 0.000 0.763 6071 G HN 0.670 nan 8.290 nan 0.000 0.554 6072 P HA -0.108 nan 4.420 nan 0.000 0.214 6072 P C 2.475 179.801 177.300 0.044 0.000 1.163 6072 P CA 2.319 65.422 63.100 0.005 0.000 0.883 6072 P CB -0.227 31.471 31.700 -0.004 0.000 0.788 6073 S N -1.874 113.863 115.700 0.060 0.000 2.383 6073 S HA -0.123 4.343 4.470 -0.006 0.000 0.227 6073 S C 1.943 176.670 174.600 0.212 0.000 1.026 6073 S CA 1.797 60.093 58.200 0.160 0.000 0.981 6073 S CB -2.002 61.228 63.200 0.050 0.000 0.818 6073 S HN 0.087 nan 8.310 nan 0.000 0.472 6074 T N 3.108 117.722 114.554 0.101 0.000 2.720 6074 T HA -0.129 4.218 4.350 -0.006 0.000 0.268 6074 T C 2.340 177.034 174.700 -0.011 0.000 1.037 6074 T CA 1.905 64.037 62.100 0.053 0.000 1.144 6074 T CB -0.781 68.085 68.868 -0.003 0.000 0.864 6074 T HN 0.799 nan 8.240 nan 0.000 0.444 6075 S N 1.267 116.966 115.700 -0.002 0.000 2.399 6075 S HA -0.046 4.421 4.470 -0.006 0.000 0.231 6075 S C 2.068 176.664 174.600 -0.006 0.000 1.022 6075 S CA 0.818 59.017 58.200 -0.000 0.000 0.983 6075 S CB -0.768 62.526 63.200 0.157 0.000 0.803 6075 S HN 0.512 nan 8.310 nan 0.000 0.480 6076 I N 2.144 122.698 120.570 -0.026 0.000 2.202 6076 I HA -0.101 4.065 4.170 -0.006 0.000 0.242 6076 I C 3.123 179.104 176.117 -0.226 0.000 1.091 6076 I CA 1.129 62.344 61.300 -0.141 0.000 1.368 6076 I CB -0.709 37.119 38.000 -0.287 0.000 1.058 6076 I HN 0.430 nan 8.210 nan 0.000 0.410 6077 A N 0.428 123.109 122.820 -0.232 0.000 1.902 6077 A HA -0.151 4.165 4.320 -0.006 0.000 0.217 6077 A C 2.421 179.955 177.584 -0.083 0.000 1.181 6077 A CA 1.799 53.705 52.037 -0.218 0.000 0.623 6077 A CB -0.971 18.028 19.000 -0.002 0.000 0.818 6077 A HN 0.241 nan 8.150 nan 0.000 0.443 6078 V N 0.139 119.968 119.914 -0.142 0.000 2.307 6078 V HA -0.235 3.882 4.120 -0.006 0.000 0.245 6078 V C 2.626 178.632 176.094 -0.147 0.000 1.045 6078 V CA 2.421 64.535 62.300 -0.310 0.000 1.024 6078 V CB -0.745 30.713 31.823 -0.609 0.000 0.651 6078 V HN 0.754 nan 8.190 nan 0.000 0.449 6079 E N 0.949 121.090 120.200 -0.098 0.000 2.058 6079 E HA -0.247 4.099 4.350 -0.006 0.000 0.194 6079 E C 2.079 178.700 176.600 0.035 0.000 0.997 6079 E CA 2.021 58.417 56.400 -0.008 0.000 0.801 6079 E CB -0.297 29.429 29.700 0.042 0.000 0.746 6079 E HN 0.683 nan 8.360 nan 0.000 0.450 6080 E N -0.155 120.052 120.200 0.011 0.000 2.107 6080 E HA -0.092 4.254 4.350 -0.006 0.000 0.191 6080 E C 2.288 178.922 176.600 0.057 0.000 0.982 6080 E CA 0.895 57.311 56.400 0.027 0.000 0.809 6080 E CB -0.123 29.569 29.700 -0.013 0.000 0.756 6080 E HN 0.295 nan 8.360 nan 0.000 0.459 6081 L N 0.746 122.028 121.223 0.097 0.000 2.046 6081 L HA -0.195 4.142 4.340 -0.006 0.000 0.208 6081 L C 2.608 179.588 176.870 0.184 0.000 1.077 6081 L CA 1.021 55.958 54.840 0.162 0.000 0.747 6081 L CB -0.484 41.756 42.059 0.303 0.000 0.896 6081 L HN 0.147 nan 8.230 nan 0.000 0.432 6082 A N -0.456 122.520 122.820 0.261 0.000 1.883 6082 A HA -0.271 4.046 4.320 -0.006 0.000 0.217 6082 A C 2.215 179.862 177.584 0.105 0.000 1.186 6082 A CA 1.662 53.825 52.037 0.209 0.000 0.624 6082 A CB -0.537 18.576 19.000 0.187 0.000 0.822 6082 A HN 0.480 nan 8.150 nan 0.000 0.444 6083 Q N -0.700 119.151 119.800 0.084 0.000 2.181 6083 Q HA -0.102 4.234 4.340 -0.006 0.000 0.205 6083 Q C 1.818 177.845 176.000 0.045 0.000 0.980 6083 Q CA 1.340 57.178 55.803 0.057 0.000 0.862 6083 Q CB -0.295 28.475 28.738 0.052 0.000 0.905 6083 Q HN 0.685 nan 8.270 nan 0.000 0.429 6084 L N -1.477 119.775 121.223 0.047 0.000 2.492 6084 L HA 0.055 4.392 4.340 -0.006 0.000 0.223 6084 L C 1.274 178.155 176.870 0.018 0.000 1.132 6084 L CA 0.663 55.521 54.840 0.030 0.000 0.850 6084 L CB 0.237 42.313 42.059 0.028 0.000 0.966 6084 L HN 0.447 nan 8.230 nan 0.000 0.454 6085 G N -0.824 107.988 108.800 0.021 0.000 2.260 6085 G HA2 -0.153 3.803 3.960 -0.006 0.000 0.179 6085 G HA3 -0.153 3.803 3.960 -0.006 0.000 0.179 6085 G C 0.193 175.076 174.900 -0.028 0.000 1.002 6085 G CA -0.724 44.377 45.100 0.002 0.000 0.677 6085 G HN 0.014 nan 8.290 nan 0.000 0.486 6086 I N 1.316 121.855 120.570 -0.051 0.000 2.588 6086 I HA 0.365 4.531 4.170 -0.006 0.000 0.283 6086 I C 1.261 177.276 176.117 -0.169 0.000 1.119 6086 I CA 0.141 61.319 61.300 -0.203 0.000 1.419 6086 I CB 1.098 38.848 38.000 -0.417 0.000 1.394 6086 I HN 0.072 nan 8.210 nan 0.000 0.562 6087 R N 2.839 123.216 120.500 -0.206 0.000 2.469 6087 R HA 0.203 4.539 4.340 -0.006 0.000 0.250 6087 R C -0.211 176.048 176.300 -0.069 0.000 0.909 6087 R CA 0.220 56.286 56.100 -0.057 0.000 1.050 6087 R CB 0.558 30.846 30.300 -0.019 0.000 1.256 6087 R HN 0.536 nan 8.270 nan 0.000 0.550 6088 T N 1.174 115.563 114.554 -0.275 0.000 2.879 6088 T HA 0.589 4.935 4.350 -0.006 0.000 0.290 6088 T C -1.024 173.436 174.700 -0.400 0.000 0.993 6088 T CA -0.299 61.699 62.100 -0.169 0.000 0.975 6088 T CB 1.348 70.158 68.868 -0.096 0.000 0.981 6088 T HN -0.162 nan 8.240 nan 0.000 0.439 6089 F N 2.506 122.453 119.950 -0.005 0.000 2.493 6089 F HA 0.591 5.115 4.527 -0.006 0.000 0.329 6089 F C -0.278 175.518 175.800 -0.007 0.000 1.126 6089 F CA -1.085 56.911 58.000 -0.006 0.000 0.937 6089 F CB 1.451 40.443 39.000 -0.013 0.000 1.146 6089 F HN 0.202 nan 8.300 nan 0.000 0.442 6090 L N 4.089 125.395 121.223 0.139 0.000 2.318 6090 L HA 0.506 4.842 4.340 -0.006 0.000 0.277 6090 L C -0.064 176.857 176.870 0.086 0.000 1.008 6090 L CA -0.691 54.199 54.840 0.084 0.000 0.846 6090 L CB 1.668 43.747 42.059 0.034 0.000 1.220 6090 L HN 0.599 nan 8.230 nan 0.000 0.423 6091 R N 3.181 123.726 120.500 0.075 0.000 2.389 6091 R HA 0.461 4.797 4.340 -0.006 0.000 0.295 6091 R C -0.867 175.455 176.300 0.036 0.000 1.075 6091 R CA -0.439 55.695 56.100 0.056 0.000 1.005 6091 R CB 1.027 31.351 30.300 0.040 0.000 0.987 6091 R HN 0.550 nan 8.270 nan 0.000 0.452 6092 I N 4.142 124.732 120.570 0.032 0.000 2.382 6092 I HA 0.568 4.735 4.170 -0.006 0.000 0.286 6092 I C -0.601 175.528 176.117 0.020 0.000 1.002 6092 I CA -0.065 61.248 61.300 0.022 0.000 1.135 6092 I CB 1.686 39.695 38.000 0.015 0.000 1.288 6092 I HN 0.739 nan 8.210 nan 0.000 0.448 6093 G N 4.163 112.975 108.800 0.020 0.000 3.105 6093 G HA2 0.736 4.693 3.960 -0.006 0.000 0.277 6093 G HA3 0.736 4.693 3.960 -0.006 0.000 0.277 6093 G C -1.024 173.889 174.900 0.022 0.000 1.375 6093 G CA -0.310 44.802 45.100 0.020 0.000 0.962 6093 G HN 0.640 nan 8.290 nan 0.000 0.541 6094 T N -3.056 111.514 114.554 0.027 0.000 2.932 6094 T HA 0.751 5.097 4.350 -0.006 0.000 0.289 6094 T C -0.503 174.224 174.700 0.044 0.000 1.039 6094 T CA -0.707 61.413 62.100 0.033 0.000 1.024 6094 T CB 2.096 70.984 68.868 0.033 0.000 1.090 6094 T HN 0.830 nan 8.240 nan 0.000 0.496 6095 T N -0.307 114.273 114.554 0.045 0.000 2.885 6095 T HA 0.639 4.986 4.350 -0.006 0.000 0.322 6095 T C -0.529 174.197 174.700 0.043 0.000 1.387 6095 T CA -0.416 61.711 62.100 0.045 0.000 1.041 6095 T CB 1.313 70.200 68.868 0.032 0.000 1.287 6095 T HN 1.173 nan 8.240 nan 0.000 0.491 6096 G N 1.745 110.573 108.800 0.047 0.000 2.319 6096 G HA2 0.633 4.590 3.960 -0.006 0.000 0.308 6096 G HA3 0.633 4.590 3.960 -0.006 0.000 0.308 6096 G C 0.041 174.963 174.900 0.035 0.000 1.117 6096 G CA -0.185 44.940 45.100 0.042 0.000 0.903 6096 G HN 0.976 nan 8.290 nan 0.000 0.436 6097 A N 2.299 125.123 122.820 0.006 0.000 2.371 6097 A HA 0.543 4.860 4.320 -0.006 0.000 0.257 6097 A C 1.048 178.613 177.584 -0.033 0.000 1.089 6097 A CA -0.486 51.532 52.037 -0.031 0.000 0.794 6097 A CB 0.289 19.263 19.000 -0.043 0.000 1.029 6097 A HN 1.288 nan 8.150 nan 0.000 0.488 6098 I N -1.948 118.577 120.570 -0.074 0.000 4.081 6098 I HA 0.263 4.430 4.170 -0.006 0.000 0.333 6098 I C -0.320 175.755 176.117 -0.070 0.000 1.413 6098 I CA -0.315 60.948 61.300 -0.061 0.000 1.110 6098 I CB 0.214 38.151 38.000 -0.105 0.000 1.082 6098 I HN 0.337 nan 8.210 nan 0.000 0.402 6099 Q N 2.614 122.356 119.800 -0.096 0.000 2.282 6099 Q HA 0.407 4.743 4.340 -0.006 0.000 0.260 6099 Q C -1.882 174.026 176.000 -0.154 0.000 0.964 6099 Q CA -2.083 53.649 55.803 -0.117 0.000 0.880 6099 Q CB 2.018 30.683 28.738 -0.123 0.000 1.286 6099 Q HN 0.030 nan 8.270 nan 0.000 0.445 6100 P HA -0.137 nan 4.420 nan 0.000 0.220 6100 P C 0.457 177.554 177.300 -0.338 0.000 1.148 6100 P CA 1.411 64.314 63.100 -0.327 0.000 0.803 6100 P CB 0.410 31.808 31.700 -0.504 0.000 0.782 6101 H N -1.083 117.957 119.070 -0.051 0.000 2.551 6101 H HA 0.271 4.824 4.556 -0.006 0.000 0.271 6101 H C 1.059 176.355 175.328 -0.054 0.000 0.984 6101 H CA -0.296 55.729 56.048 -0.039 0.000 1.164 6101 H CB 0.080 29.827 29.762 -0.025 0.000 1.437 6101 H HN 0.209 nan 8.280 nan 0.000 0.550 6102 I N 2.301 122.846 120.570 -0.042 0.000 2.416 6102 I HA -0.032 4.135 4.170 -0.006 0.000 0.288 6102 I C 0.633 176.755 176.117 0.008 0.000 1.051 6102 I CA -0.216 61.040 61.300 -0.074 0.000 1.375 6102 I CB 0.485 38.368 38.000 -0.196 0.000 1.407 6102 I HN -0.002 nan 8.210 nan 0.000 0.516 6103 N N 5.283 124.020 118.700 0.061 0.000 2.509 6103 N HA 0.223 4.959 4.740 -0.006 0.000 0.287 6103 N C -0.627 174.900 175.510 0.029 0.000 1.121 6103 N CA -0.423 52.653 53.050 0.043 0.000 0.977 6103 N CB 1.431 39.946 38.487 0.047 0.000 1.167 6103 N HN 0.262 nan 8.380 nan 0.000 0.476 6104 V N 2.548 122.470 119.914 0.015 0.000 2.644 6104 V HA 0.223 4.340 4.120 -0.006 0.000 0.305 6104 V C 1.567 177.657 176.094 -0.006 0.000 1.053 6104 V CA 1.771 64.076 62.300 0.008 0.000 1.186 6104 V CB 0.186 32.013 31.823 0.006 0.000 0.895 6104 V HN 1.023 nan 8.190 nan 0.000 0.490 6105 G N 3.827 112.621 108.800 -0.010 0.000 2.234 6105 G HA2 -0.191 3.765 3.960 -0.006 0.000 0.235 6105 G HA3 -0.191 3.765 3.960 -0.006 0.000 0.235 6105 G C -0.002 174.870 174.900 -0.046 0.000 0.997 6105 G CA 0.062 45.136 45.100 -0.044 0.000 0.623 6105 G HN 0.678 nan 8.290 nan 0.000 0.514 6106 D N 0.273 120.676 120.400 0.005 0.000 2.400 6106 D HA 0.444 5.081 4.640 -0.006 0.000 0.238 6106 D C 0.603 176.936 176.300 0.055 0.000 1.157 6106 D CA 0.147 54.173 54.000 0.043 0.000 0.889 6106 D CB 1.533 42.433 40.800 0.166 0.000 1.199 6106 D HN 0.218 nan 8.370 nan 0.000 0.436 6107 V N 2.554 122.498 119.914 0.050 0.000 2.394 6107 V HA 0.301 4.418 4.120 -0.006 0.000 0.282 6107 V C 0.119 176.253 176.094 0.067 0.000 1.031 6107 V CA -0.668 61.664 62.300 0.052 0.000 0.881 6107 V CB 1.037 32.887 31.823 0.045 0.000 0.982 6107 V HN 0.264 nan 8.190 nan 0.000 0.451 6108 L N 5.639 126.902 121.223 0.067 0.000 2.305 6108 L HA 0.601 4.938 4.340 -0.006 0.000 0.284 6108 L C -0.616 176.276 176.870 0.037 0.000 1.013 6108 L CA -0.731 54.152 54.840 0.072 0.000 0.819 6108 L CB 1.904 44.000 42.059 0.062 0.000 1.227 6108 L HN 0.333 nan 8.230 nan 0.000 0.417 6109 V N 2.046 121.977 119.914 0.030 0.000 2.394 6109 V HA 0.296 4.413 4.120 -0.006 0.000 0.282 6109 V C 0.336 176.434 176.094 0.007 0.000 1.031 6109 V CA -0.362 61.943 62.300 0.009 0.000 0.881 6109 V CB 1.771 33.590 31.823 -0.006 0.000 0.982 6109 V HN 0.723 nan 8.190 nan 0.000 0.451 6110 T N 3.447 118.001 114.554 0.000 0.000 2.743 6110 T HA 0.205 4.552 4.350 -0.006 0.000 0.293 6110 T C 1.307 176.004 174.700 -0.004 0.000 0.945 6110 T CA 0.173 62.270 62.100 -0.006 0.000 1.030 6110 T CB 1.209 70.070 68.868 -0.011 0.000 0.912 6110 T HN 0.970 nan 8.240 nan 0.000 0.483 6111 T N 0.679 115.232 114.554 -0.002 0.000 2.978 6111 T HA 0.478 4.825 4.350 -0.006 0.000 0.262 6111 T C 0.713 175.415 174.700 0.005 0.000 1.063 6111 T CA 0.283 62.386 62.100 0.006 0.000 1.140 6111 T CB 0.165 69.042 68.868 0.015 0.000 0.886 6111 T HN 0.764 nan 8.240 nan 0.000 0.470 6112 A N -0.035 122.780 122.820 -0.009 0.000 2.597 6112 A HA 0.660 4.977 4.320 -0.006 0.000 0.292 6112 A C -1.063 176.499 177.584 -0.037 0.000 1.057 6112 A CA -0.855 51.173 52.037 -0.015 0.000 0.674 6112 A CB 1.153 20.143 19.000 -0.017 0.000 1.278 6112 A HN 0.205 nan 8.150 nan 0.000 0.416 6113 S N -0.186 115.490 115.700 -0.040 0.000 2.513 6113 S HA 0.593 5.059 4.470 -0.006 0.000 0.299 6113 S C -0.295 174.248 174.600 -0.096 0.000 1.087 6113 S CA -0.580 57.577 58.200 -0.072 0.000 1.012 6113 S CB 1.679 64.847 63.200 -0.053 0.000 1.044 6113 S HN 0.935 nan 8.310 nan 0.000 0.485 6114 V N 3.295 123.097 119.914 -0.185 0.000 2.529 6114 V HA 0.142 4.258 4.120 -0.006 0.000 0.292 6114 V C 0.627 176.630 176.094 -0.151 0.000 1.028 6114 V CA 0.081 62.232 62.300 -0.248 0.000 1.074 6114 V CB -0.224 31.246 31.823 -0.587 0.000 0.958 6114 V HN 0.703 nan 8.190 nan 0.000 0.481 6115 R N 5.317 125.781 120.500 -0.060 0.000 2.891 6115 R HA 0.321 4.658 4.340 -0.006 0.000 0.248 6115 R C -0.003 176.329 176.300 0.053 0.000 1.439 6115 R CA -0.134 55.973 56.100 0.012 0.000 1.288 6115 R CB -0.001 30.331 30.300 0.054 0.000 1.212 6115 R HN 0.669 nan 8.270 nan 0.000 0.605 6116 L N 2.136 123.394 121.223 0.058 0.000 2.851 6116 L HA 0.136 4.472 4.340 -0.006 0.000 0.237 6116 L C 0.220 177.173 176.870 0.139 0.000 1.257 6116 L CA -0.239 54.702 54.840 0.168 0.000 1.061 6116 L CB -0.720 41.479 42.059 0.234 0.000 1.372 6116 L HN 0.498 nan 8.230 nan 0.000 0.493 6117 D N -1.492 118.967 120.400 0.097 0.000 2.497 6117 D HA 0.329 4.965 4.640 -0.006 0.000 0.243 6117 D C 0.679 177.027 176.300 0.080 0.000 1.039 6117 D CA -0.396 53.647 54.000 0.071 0.000 1.052 6117 D CB 1.909 42.734 40.800 0.042 0.000 1.344 6117 D HN -0.070 nan 8.370 nan 0.000 0.553 6118 G N -1.042 107.788 108.800 0.051 0.000 2.724 6118 G HA2 0.234 4.190 3.960 -0.006 0.000 0.205 6118 G HA3 0.234 4.190 3.960 -0.006 0.000 0.205 6118 G C 1.283 176.172 174.900 -0.018 0.000 1.112 6118 G CA 0.585 45.715 45.100 0.051 0.000 0.793 6118 G HN 0.617 nan 8.290 nan 0.000 0.526 6119 A N 1.803 124.566 122.820 -0.095 0.000 1.972 6119 A HA -0.014 4.302 4.320 -0.006 0.000 0.219 6119 A C 2.676 180.328 177.584 0.114 0.000 1.169 6119 A CA 2.400 54.330 52.037 -0.179 0.000 0.635 6119 A CB -0.693 18.268 19.000 -0.065 0.000 0.810 6119 A HN 0.730 nan 8.150 nan 0.000 0.446 6120 S N 0.355 116.147 115.700 0.153 0.000 2.383 6120 S HA -0.155 4.311 4.470 -0.006 0.000 0.229 6120 S C 1.721 176.473 174.600 0.252 0.000 1.030 6120 S CA 1.575 59.912 58.200 0.228 0.000 1.002 6120 S CB -0.811 62.469 63.200 0.134 0.000 0.829 6120 S HN 0.461 nan 8.310 nan 0.000 0.467 6121 L N 0.827 122.173 121.223 0.205 0.000 2.456 6121 L HA -0.014 4.322 4.340 -0.006 0.000 0.224 6121 L C 2.308 179.275 176.870 0.162 0.000 1.148 6121 L CA 1.079 56.028 54.840 0.182 0.000 0.825 6121 L CB -0.715 41.450 42.059 0.178 0.000 0.937 6121 L HN 0.512 nan 8.230 nan 0.000 0.450 6122 H N -1.832 117.174 119.070 -0.106 0.000 2.547 6122 H HA 0.017 4.569 4.556 -0.006 0.000 0.266 6122 H C 1.243 176.171 175.328 -0.667 0.000 0.988 6122 H CA 0.499 56.324 56.048 -0.372 0.000 1.147 6122 H CB 0.401 29.879 29.762 -0.474 0.000 1.365 6122 H HN 0.349 nan 8.280 nan 0.000 0.589 6123 F N -0.256 119.717 119.950 0.039 0.000 2.667 6123 F HA 0.434 4.957 4.527 -0.006 0.000 0.288 6123 F C 0.858 176.568 175.800 -0.151 0.000 1.086 6123 F CA -0.006 57.956 58.000 -0.063 0.000 1.297 6123 F CB 0.986 39.933 39.000 -0.088 0.000 1.059 6123 F HN -0.041 nan 8.300 nan 0.000 0.624 6124 A N 0.462 123.301 122.820 0.030 0.000 2.589 6124 A HA 0.632 4.948 4.320 -0.006 0.000 0.296 6124 A C -2.802 174.798 177.584 0.028 0.000 1.062 6124 A CA -1.392 50.589 52.037 -0.092 0.000 0.686 6124 A CB 0.734 19.485 19.000 -0.414 0.000 1.282 6124 A HN -0.170 nan 8.150 nan 0.000 0.404 6125 P HA 0.154 nan 4.420 nan 0.000 0.273 6125 P C 0.814 178.192 177.300 0.130 0.000 1.250 6125 P CA -0.277 62.871 63.100 0.080 0.000 0.793 6125 P CB 0.507 32.249 31.700 0.070 0.000 1.011 6126 M N 1.010 120.676 119.600 0.110 0.000 2.267 6126 M HA -0.172 4.304 4.480 -0.006 0.000 0.263 6126 M C 1.492 177.868 176.300 0.126 0.000 1.063 6126 M CA 1.928 57.297 55.300 0.116 0.000 1.090 6126 M CB -1.249 31.405 32.600 0.090 0.000 1.392 6126 M HN 0.287 nan 8.290 nan 0.000 0.422 6127 E N -0.762 119.511 120.200 0.122 0.000 2.204 6127 E HA -0.098 4.249 4.350 -0.006 0.000 0.195 6127 E C 0.281 176.957 176.600 0.127 0.000 0.990 6127 E CA 0.613 57.077 56.400 0.105 0.000 0.821 6127 E CB -0.489 29.265 29.700 0.090 0.000 0.750 6127 E HN 0.516 nan 8.360 nan 0.000 0.477 6128 F N 2.291 122.263 119.950 0.035 0.000 2.484 6128 F HA 0.174 4.697 4.527 -0.006 0.000 0.360 6128 F C -1.990 173.828 175.800 0.030 0.000 1.101 6128 F CA -2.740 55.281 58.000 0.035 0.000 1.251 6128 F CB 0.637 39.663 39.000 0.044 0.000 1.132 6128 F HN -0.128 nan 8.300 nan 0.000 0.570 6129 P HA 0.162 nan 4.420 nan 0.000 0.281 6129 P C -1.258 176.062 177.300 0.034 0.000 1.252 6129 P CA -0.426 62.595 63.100 -0.132 0.000 0.778 6129 P CB 1.321 32.878 31.700 -0.238 0.000 0.895 6130 A N 3.969 126.840 122.820 0.085 0.000 3.026 6130 A HA 0.249 4.565 4.320 -0.006 0.000 0.272 6130 A C 0.284 177.895 177.584 0.044 0.000 1.782 6130 A CA -0.275 51.820 52.037 0.098 0.000 1.451 6130 A CB -0.992 18.044 19.000 0.061 0.000 1.081 6130 A HN 0.467 nan 8.150 nan 0.000 0.611 6131 V N 1.833 121.773 119.914 0.044 0.000 2.472 6131 V HA 0.690 4.806 4.120 -0.006 0.000 0.290 6131 V C 0.648 176.768 176.094 0.043 0.000 1.037 6131 V CA -0.232 62.079 62.300 0.019 0.000 0.908 6131 V CB 1.365 33.176 31.823 -0.021 0.000 0.985 6131 V HN 0.906 nan 8.190 nan 0.000 0.454 6132 A N 4.314 127.155 122.820 0.036 0.000 2.386 6132 A HA 0.368 4.685 4.320 -0.006 0.000 0.248 6132 A C 0.098 177.721 177.584 0.065 0.000 1.082 6132 A CA -0.161 51.901 52.037 0.042 0.000 0.789 6132 A CB 0.118 19.132 19.000 0.024 0.000 1.025 6132 A HN 1.035 nan 8.150 nan 0.000 0.490 6133 D N 0.072 120.515 120.400 0.070 0.000 2.424 6133 D HA 0.093 4.729 4.640 -0.006 0.000 0.244 6133 D C 0.693 177.057 176.300 0.106 0.000 1.134 6133 D CA 0.062 54.120 54.000 0.096 0.000 0.881 6133 D CB 0.156 41.007 40.800 0.084 0.000 1.191 6133 D HN 0.392 nan 8.370 nan 0.000 0.445 6134 F N 3.963 123.921 119.950 0.014 0.000 2.134 6134 F HA -0.103 4.420 4.527 -0.006 0.000 0.299 6134 F C 2.033 177.839 175.800 0.009 0.000 1.097 6134 F CA 1.746 59.751 58.000 0.009 0.000 1.264 6134 F CB -0.336 38.667 39.000 0.005 0.000 1.001 6134 F HN 0.486 nan 8.300 nan 0.000 0.479 6135 A N -0.536 122.309 122.820 0.041 0.000 1.902 6135 A HA -0.207 4.109 4.320 -0.006 0.000 0.217 6135 A C 2.337 179.849 177.584 -0.121 0.000 1.181 6135 A CA 1.795 53.798 52.037 -0.058 0.000 0.623 6135 A CB -1.661 17.373 19.000 0.057 0.000 0.818 6135 A HN 0.576 nan 8.150 nan 0.000 0.443 6136 C N -1.197 118.065 119.300 -0.063 0.000 2.453 6136 C HA -0.060 4.397 4.460 -0.006 0.000 0.277 6136 C C 3.051 177.984 174.990 -0.095 0.000 1.262 6136 C CA 1.494 60.480 59.018 -0.054 0.000 1.718 6136 C CB -1.460 26.278 27.740 -0.004 0.000 2.031 6136 C HN 0.648 nan 8.230 nan 0.000 0.480 6137 T N 0.621 115.099 114.554 -0.127 0.000 2.746 6137 T HA -0.162 4.184 4.350 -0.006 0.000 0.267 6137 T C 1.793 176.364 174.700 -0.214 0.000 1.039 6137 T CA 2.144 64.159 62.100 -0.143 0.000 1.142 6137 T CB -0.561 68.234 68.868 -0.122 0.000 0.866 6137 T HN 0.585 nan 8.240 nan 0.000 0.444 6138 T N 2.053 116.380 114.554 -0.378 0.000 2.720 6138 T HA -0.066 4.280 4.350 -0.006 0.000 0.268 6138 T C 2.400 176.983 174.700 -0.195 0.000 1.037 6138 T CA 1.236 63.112 62.100 -0.373 0.000 1.144 6138 T CB -0.561 67.959 68.868 -0.579 0.000 0.864 6138 T HN 0.450 nan 8.240 nan 0.000 0.444 6139 A N 0.980 123.707 122.820 -0.154 0.000 1.933 6139 A HA 0.037 4.354 4.320 -0.006 0.000 0.218 6139 A C 2.299 179.838 177.584 -0.074 0.000 1.175 6139 A CA 1.131 53.113 52.037 -0.093 0.000 0.628 6139 A CB -0.767 18.192 19.000 -0.069 0.000 0.814 6139 A HN 0.474 nan 8.150 nan 0.000 0.444 6140 L N -0.706 120.473 121.223 -0.074 0.000 2.056 6140 L HA -0.144 4.193 4.340 -0.006 0.000 0.207 6140 L C 2.524 179.362 176.870 -0.054 0.000 1.078 6140 L CA 1.035 55.843 54.840 -0.053 0.000 0.749 6140 L CB -0.534 41.499 42.059 -0.043 0.000 0.901 6140 L HN 0.238 nan 8.230 nan 0.000 0.433 6141 V N -0.195 119.677 119.914 -0.071 0.000 2.358 6141 V HA -0.249 3.868 4.120 -0.006 0.000 0.246 6141 V C 2.335 178.396 176.094 -0.056 0.000 1.047 6141 V CA 1.775 64.038 62.300 -0.062 0.000 1.035 6141 V CB -0.492 31.287 31.823 -0.073 0.000 0.658 6141 V HN 0.465 nan 8.190 nan 0.000 0.452 6142 E N 0.325 120.486 120.200 -0.064 0.000 2.152 6142 E HA -0.115 4.232 4.350 -0.006 0.000 0.192 6142 E C 2.301 178.874 176.600 -0.044 0.000 0.983 6142 E CA 1.110 57.479 56.400 -0.051 0.000 0.818 6142 E CB -0.263 29.406 29.700 -0.053 0.000 0.758 6142 E HN 0.602 nan 8.360 nan 0.000 0.467 6143 A N 1.696 124.489 122.820 -0.046 0.000 1.930 6143 A HA -0.056 4.261 4.320 -0.006 0.000 0.217 6143 A C 2.413 179.972 177.584 -0.042 0.000 1.175 6143 A CA 1.494 53.505 52.037 -0.043 0.000 0.627 6143 A CB -0.496 18.479 19.000 -0.042 0.000 0.815 6143 A HN 0.276 nan 8.150 nan 0.000 0.443 6144 A N 1.013 123.810 122.820 -0.038 0.000 1.902 6144 A HA -0.169 4.148 4.320 -0.006 0.000 0.217 6144 A C 2.024 179.589 177.584 -0.030 0.000 1.181 6144 A CA 2.286 54.305 52.037 -0.030 0.000 0.623 6144 A CB -0.447 18.538 19.000 -0.026 0.000 0.818 6144 A HN 0.625 nan 8.150 nan 0.000 0.443 6145 K N 0.860 121.240 120.400 -0.033 0.000 2.148 6145 K HA -0.071 4.246 4.320 -0.006 0.000 0.204 6145 K C 1.769 178.352 176.600 -0.029 0.000 1.050 6145 K CA 1.903 58.172 56.287 -0.029 0.000 0.942 6145 K CB -0.991 31.492 32.500 -0.029 0.000 0.724 6145 K HN 0.465 nan 8.250 nan 0.000 0.446 6146 S N 1.404 117.084 115.700 -0.034 0.000 2.423 6146 S HA -0.105 4.361 4.470 -0.006 0.000 0.231 6146 S C 1.948 176.523 174.600 -0.041 0.000 1.014 6146 S CA 0.869 59.048 58.200 -0.034 0.000 0.965 6146 S CB -0.776 62.402 63.200 -0.035 0.000 0.785 6146 S HN 0.599 nan 8.310 nan 0.000 0.495 6147 I N -2.465 118.073 120.570 -0.053 0.000 3.956 6147 I HA 0.529 4.695 4.170 -0.006 0.000 0.333 6147 I C 1.242 177.326 176.117 -0.055 0.000 1.302 6147 I CA 0.201 61.456 61.300 -0.076 0.000 1.122 6147 I CB -0.345 37.575 38.000 -0.133 0.000 1.013 6147 I HN 0.350 nan 8.210 nan 0.000 0.405 6148 G N 2.022 110.808 108.800 -0.025 0.000 2.198 6148 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.257 6148 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.257 6148 G C 0.307 175.234 174.900 0.045 0.000 1.042 6148 G CA 0.108 45.209 45.100 0.002 0.000 0.791 6148 G HN 0.950 nan 8.290 nan 0.000 0.502 6149 A N -0.063 122.795 122.820 0.064 0.000 2.371 6149 A HA 0.720 5.036 4.320 -0.006 0.000 0.257 6149 A C 0.918 178.525 177.584 0.038 0.000 1.089 6149 A CA 0.686 52.826 52.037 0.172 0.000 0.794 6149 A CB 0.439 19.593 19.000 0.255 0.000 1.029 6149 A HN 0.863 nan 8.150 nan 0.000 0.488 6150 T N 2.893 117.447 114.554 -0.000 0.000 2.784 6150 T HA 0.394 4.740 4.350 -0.006 0.000 0.291 6150 T C 0.089 174.686 174.700 -0.173 0.000 0.942 6150 T CA 0.802 62.843 62.100 -0.100 0.000 1.161 6150 T CB -0.200 68.621 68.868 -0.078 0.000 0.885 6150 T HN 0.648 nan 8.240 nan 0.000 0.534 6151 T N 4.347 118.714 114.554 -0.313 0.000 2.912 6151 T HA 0.403 4.749 4.350 -0.006 0.000 0.299 6151 T C -0.915 173.490 174.700 -0.492 0.000 1.052 6151 T CA -0.809 61.121 62.100 -0.283 0.000 0.996 6151 T CB 1.177 69.974 68.868 -0.118 0.000 1.070 6151 T HN 0.555 nan 8.240 nan 0.000 0.465 6152 H N 0.706 119.779 119.070 0.005 0.000 2.637 6152 H HA 0.642 5.195 4.556 -0.006 0.000 0.363 6152 H C -1.064 174.262 175.328 -0.003 0.000 1.131 6152 H CA -0.597 55.452 56.048 0.003 0.000 1.183 6152 H CB 2.019 31.784 29.762 0.004 0.000 1.637 6152 H HN 0.270 nan 8.280 nan 0.000 0.531 6153 V N 1.728 121.704 119.914 0.104 0.000 2.540 6153 V HA 0.735 4.851 4.120 -0.006 0.000 0.302 6153 V C 0.463 176.584 176.094 0.045 0.000 1.035 6153 V CA -0.222 62.108 62.300 0.050 0.000 0.873 6153 V CB 1.502 33.339 31.823 0.022 0.000 0.992 6153 V HN 1.111 nan 8.190 nan 0.000 0.428 6154 G N 2.998 111.813 108.800 0.025 0.000 2.360 6154 G HA2 0.387 4.344 3.960 -0.006 0.000 0.276 6154 G HA3 0.387 4.344 3.960 -0.006 0.000 0.276 6154 G C -1.510 173.384 174.900 -0.010 0.000 1.256 6154 G CA -0.422 44.685 45.100 0.011 0.000 0.890 6154 G HN 0.520 nan 8.290 nan 0.000 0.486 6155 V N 0.685 120.584 119.914 -0.026 0.000 2.607 6155 V HA 0.656 4.772 4.120 -0.006 0.000 0.289 6155 V C 0.317 176.357 176.094 -0.090 0.000 1.053 6155 V CA -0.005 62.262 62.300 -0.054 0.000 0.996 6155 V CB 1.396 33.185 31.823 -0.056 0.000 0.995 6155 V HN 0.796 nan 8.190 nan 0.000 0.476 6156 T N 3.406 117.893 114.554 -0.112 0.000 2.863 6156 T HA 0.657 5.003 4.350 -0.006 0.000 0.285 6156 T C -0.176 174.396 174.700 -0.213 0.000 1.009 6156 T CA -0.302 61.713 62.100 -0.141 0.000 0.989 6156 T CB 1.662 70.481 68.868 -0.082 0.000 1.004 6156 T HN 0.904 nan 8.240 nan 0.000 0.455 6157 A N 2.133 124.773 122.820 -0.300 0.000 2.276 6157 A HA 0.645 4.962 4.320 -0.006 0.000 0.300 6157 A C 0.290 177.812 177.584 -0.104 0.000 1.235 6157 A CA -0.462 51.359 52.037 -0.360 0.000 0.867 6157 A CB 0.452 19.058 19.000 -0.656 0.000 1.137 6157 A HN 0.627 nan 8.150 nan 0.000 0.527 6158 S N 1.990 117.640 115.700 -0.085 0.000 2.498 6158 S HA 0.526 4.993 4.470 -0.006 0.000 0.324 6158 S C -0.199 174.404 174.600 0.006 0.000 1.071 6158 S CA -0.342 57.848 58.200 -0.017 0.000 1.113 6158 S CB 0.449 63.633 63.200 -0.026 0.000 0.976 6158 S HN 0.948 nan 8.310 nan 0.000 0.462 6159 S N 3.270 118.975 115.700 0.008 0.000 2.475 6159 S HA 0.349 4.815 4.470 -0.006 0.000 0.298 6159 S C 0.452 175.030 174.600 -0.037 0.000 1.119 6159 S CA -0.623 57.559 58.200 -0.030 0.000 1.085 6159 S CB 1.112 64.229 63.200 -0.139 0.000 1.028 6159 S HN 0.716 nan 8.310 nan 0.000 0.489 6160 D N 2.114 122.502 120.400 -0.021 0.000 2.378 6160 D HA 0.075 4.711 4.640 -0.006 0.000 0.222 6160 D C 0.806 177.089 176.300 -0.028 0.000 0.980 6160 D CA 0.913 54.907 54.000 -0.010 0.000 0.907 6160 D CB 0.128 40.941 40.800 0.020 0.000 0.899 6160 D HN 0.713 nan 8.370 nan 0.000 0.527 6161 T N -4.031 110.470 114.554 -0.088 0.000 2.907 6161 T HA 0.298 4.644 4.350 -0.006 0.000 0.292 6161 T C 0.486 175.117 174.700 -0.115 0.000 1.043 6161 T CA -0.897 61.163 62.100 -0.067 0.000 1.003 6161 T CB 1.284 70.103 68.868 -0.082 0.000 1.084 6161 T HN -0.135 nan 8.240 nan 0.000 0.483 6162 F N 0.134 119.946 119.950 -0.229 0.000 2.335 6162 F HA 0.212 4.735 4.527 -0.006 0.000 0.296 6162 F C 1.036 176.490 175.800 -0.577 0.000 1.091 6162 F CA 0.655 58.401 58.000 -0.424 0.000 1.399 6162 F CB -0.094 38.600 39.000 -0.509 0.000 1.067 6162 F HN 0.697 nan 8.300 nan 0.000 0.520 6163 Y N 0.664 120.917 120.300 -0.079 0.000 2.304 6163 Y HA 0.133 4.679 4.550 -0.007 0.000 0.265 6163 Y C -0.431 175.286 175.900 -0.305 0.000 1.074 6163 Y CA 0.477 58.483 58.100 -0.157 0.000 1.102 6163 Y CB -1.900 36.556 38.460 -0.007 0.000 1.037 6163 Y HN -0.217 nan 8.280 nan 0.000 0.484 6164 P HA -0.080 nan 4.420 nan 0.000 0.219 6164 P C 1.433 178.430 177.300 -0.503 0.000 1.150 6164 P CA 2.119 65.072 63.100 -0.244 0.000 0.814 6164 P CB -0.221 31.402 31.700 -0.127 0.000 0.787 6165 G N -0.054 108.324 108.800 -0.703 0.000 2.534 6165 G HA2 -0.180 3.776 3.960 -0.006 0.000 0.217 6165 G HA3 -0.180 3.776 3.960 -0.006 0.000 0.217 6165 G C 1.298 175.728 174.900 -0.784 0.000 1.128 6165 G CA 0.221 44.591 45.100 -1.216 0.000 0.784 6165 G HN 0.370 nan 8.290 nan 0.000 0.542 6166 Q N -0.474 118.862 119.800 -0.774 0.000 2.188 6166 Q HA 0.208 4.545 4.340 -0.006 0.000 0.212 6166 Q C 0.016 175.648 176.000 -0.612 0.000 0.846 6166 Q CA -0.280 54.816 55.803 -1.178 0.000 0.989 6166 Q CB 0.464 28.373 28.738 -1.381 0.000 1.114 6166 Q HN 0.571 nan 8.270 nan 0.000 0.488 6167 E N 1.673 121.646 120.200 -0.378 0.000 2.269 6167 E HA -0.233 4.113 4.350 -0.006 0.000 0.223 6167 E C -0.886 175.517 176.600 -0.330 0.000 1.244 6167 E CA 0.146 56.375 56.400 -0.284 0.000 0.713 6167 E CB -0.351 29.339 29.700 -0.017 0.000 1.178 6167 E HN 0.352 nan 8.360 nan 0.000 0.370 6168 R N -0.039 120.256 120.500 -0.342 0.000 2.308 6168 R HA 0.183 4.519 4.340 -0.006 0.000 0.305 6168 R C 0.301 176.463 176.300 -0.230 0.000 1.053 6168 R CA -0.090 55.906 56.100 -0.175 0.000 0.957 6168 R CB 0.456 30.717 30.300 -0.064 0.000 1.022 6168 R HN 0.198 nan 8.270 nan 0.000 0.461 6169 Y N -0.341 119.991 120.300 0.054 0.000 2.442 6169 Y HA 0.089 4.638 4.550 -0.002 0.000 0.250 6169 Y C 0.229 176.156 175.900 0.045 0.000 1.113 6169 Y CA -0.150 57.975 58.100 0.043 0.000 1.273 6169 Y CB 0.675 39.151 38.460 0.025 0.000 1.138 6169 Y HN 0.459 nan 8.280 nan 0.000 0.522 6170 D N 1.570 122.085 120.400 0.192 0.000 2.688 6170 D HA 0.094 4.730 4.640 -0.006 0.000 0.228 6170 D C 0.381 176.737 176.300 0.094 0.000 1.116 6170 D CA 0.354 54.437 54.000 0.138 0.000 1.023 6170 D CB -0.180 40.703 40.800 0.138 0.000 1.100 6170 D HN 0.258 nan 8.370 nan 0.000 0.487 6171 T N -3.394 111.189 114.554 0.048 0.000 2.831 6171 T HA 0.159 4.506 4.350 -0.006 0.000 0.287 6171 T C 1.014 175.719 174.700 0.008 0.000 1.070 6171 T CA -0.815 61.264 62.100 -0.035 0.000 1.010 6171 T CB 1.004 69.831 68.868 -0.069 0.000 1.264 6171 T HN 0.025 nan 8.240 nan 0.000 0.532 6172 Y N 1.680 121.913 120.300 -0.113 0.000 2.114 6172 Y HA -0.147 4.400 4.550 -0.004 0.000 0.282 6172 Y C 2.710 178.590 175.900 -0.033 0.000 1.165 6172 Y CA 2.770 60.828 58.100 -0.070 0.000 1.148 6172 Y CB -0.562 37.847 38.460 -0.084 0.000 0.972 6172 Y HN 0.753 nan 8.280 nan 0.000 0.504 6173 S N -1.387 114.216 115.700 -0.162 0.000 2.458 6173 S HA 0.194 4.661 4.470 -0.006 0.000 0.223 6173 S C 1.892 176.435 174.600 -0.094 0.000 1.019 6173 S CA 0.521 58.597 58.200 -0.207 0.000 0.937 6173 S CB -0.481 62.686 63.200 -0.056 0.000 0.788 6173 S HN 0.968 nan 8.310 nan 0.000 0.511 6174 G N 1.765 110.555 108.800 -0.016 0.000 2.166 6174 G HA2 -0.340 3.616 3.960 -0.006 0.000 0.260 6174 G HA3 -0.340 3.616 3.960 -0.006 0.000 0.260 6174 G C 0.028 175.030 174.900 0.170 0.000 0.986 6174 G CA 0.599 45.746 45.100 0.080 0.000 0.683 6174 G HN 0.902 nan 8.290 nan 0.000 0.527 6175 R N -0.774 119.787 120.500 0.102 0.000 2.732 6175 R HA 0.728 5.064 4.340 -0.006 0.000 0.278 6175 R C -1.024 175.313 176.300 0.062 0.000 0.976 6175 R CA -0.685 55.490 56.100 0.125 0.000 0.963 6175 R CB 1.923 32.263 30.300 0.067 0.000 1.150 6175 R HN 0.172 nan 8.270 nan 0.000 0.478 6176 V N 3.985 123.955 119.914 0.093 0.000 2.638 6176 V HA 0.243 4.360 4.120 -0.006 0.000 0.306 6176 V C -0.073 176.085 176.094 0.107 0.000 1.052 6176 V CA -0.937 61.374 62.300 0.017 0.000 0.885 6176 V CB 1.703 33.432 31.823 -0.157 0.000 0.999 6176 V HN 0.696 nan 8.190 nan 0.000 0.424 6177 V N 5.722 125.712 119.914 0.128 0.000 3.032 6177 V HA 0.067 4.184 4.120 -0.006 0.000 0.307 6177 V C 1.870 178.033 176.094 0.115 0.000 1.097 6177 V CA 0.776 63.153 62.300 0.128 0.000 1.191 6177 V CB 0.934 32.851 31.823 0.156 0.000 0.964 6177 V HN 0.976 nan 8.190 nan 0.000 0.494 6178 R N 3.536 124.074 120.500 0.062 0.000 2.134 6178 R HA -0.247 4.089 4.340 -0.006 0.000 0.248 6178 R C 2.301 178.584 176.300 -0.028 0.000 1.143 6178 R CA 2.671 58.784 56.100 0.023 0.000 0.957 6178 R CB -0.404 29.898 30.300 0.004 0.000 0.867 6178 R HN 0.835 nan 8.270 nan 0.000 0.441 6179 R N -0.800 119.643 120.500 -0.096 0.000 2.139 6179 R HA -0.172 4.165 4.340 -0.006 0.000 0.243 6179 R C 1.244 177.289 176.300 -0.426 0.000 1.145 6179 R CA 1.946 57.862 56.100 -0.307 0.000 0.976 6179 R CB -0.142 29.874 30.300 -0.473 0.000 0.866 6179 R HN 0.291 nan 8.270 nan 0.000 0.449 6180 F N 0.363 120.328 119.950 0.025 0.000 2.704 6180 F HA 0.282 4.805 4.527 -0.007 0.000 0.304 6180 F C 0.301 176.104 175.800 0.005 0.000 1.094 6180 F CA -0.188 57.826 58.000 0.023 0.000 1.275 6180 F CB 0.357 39.372 39.000 0.026 0.000 1.073 6180 F HN -0.297 nan 8.300 nan 0.000 0.586 6181 K N 0.753 121.241 120.400 0.147 0.000 2.436 6181 K HA 0.279 4.596 4.320 -0.006 0.000 0.282 6181 K C 1.235 177.877 176.600 0.069 0.000 1.044 6181 K CA 0.835 57.209 56.287 0.144 0.000 1.028 6181 K CB 0.057 32.631 32.500 0.123 0.000 0.919 6181 K HN 0.367 nan 8.250 nan 0.000 0.474 6182 G N 1.865 110.719 108.800 0.090 0.000 2.184 6182 G HA2 -0.358 3.599 3.960 -0.006 0.000 0.264 6182 G HA3 -0.358 3.599 3.960 -0.006 0.000 0.264 6182 G C 0.992 175.841 174.900 -0.084 0.000 0.975 6182 G CA 0.818 45.923 45.100 0.009 0.000 0.642 6182 G HN 0.681 nan 8.290 nan 0.000 0.536 6183 S N -0.651 115.005 115.700 -0.074 0.000 2.387 6183 S HA 0.053 4.519 4.470 -0.006 0.000 0.226 6183 S C 2.267 176.635 174.600 -0.386 0.000 1.026 6183 S CA 1.630 59.642 58.200 -0.313 0.000 0.972 6183 S CB -0.261 62.921 63.200 -0.031 0.000 0.814 6183 S HN 0.713 nan 8.310 nan 0.000 0.477 6184 M N 1.413 121.031 119.600 0.029 0.000 2.117 6184 M HA -0.094 4.382 4.480 -0.006 0.000 0.262 6184 M C 2.455 178.773 176.300 0.029 0.000 1.065 6184 M CA 1.972 57.377 55.300 0.175 0.000 1.114 6184 M CB -0.259 32.505 32.600 0.274 0.000 1.361 6184 M HN 0.325 nan 8.290 nan 0.000 0.408 6185 E N 0.637 120.826 120.200 -0.019 0.000 2.110 6185 E HA -0.237 4.109 4.350 -0.006 0.000 0.193 6185 E C 1.586 178.134 176.600 -0.085 0.000 0.988 6185 E CA 1.769 58.148 56.400 -0.035 0.000 0.804 6185 E CB -0.149 29.532 29.700 -0.031 0.000 0.745 6185 E HN 0.688 nan 8.360 nan 0.000 0.458 6186 E N -0.535 119.537 120.200 -0.214 0.000 2.051 6186 E HA -0.173 4.173 4.350 -0.006 0.000 0.192 6186 E C 2.074 178.591 176.600 -0.139 0.000 0.991 6186 E CA 1.480 57.715 56.400 -0.275 0.000 0.799 6186 E CB -0.359 29.028 29.700 -0.521 0.000 0.748 6186 E HN 0.420 nan 8.360 nan 0.000 0.449 6187 W N 1.374 122.672 121.300 -0.005 0.000 2.363 6187 W HA -0.191 4.466 4.660 -0.004 0.000 0.296 6187 W C 2.578 179.056 176.519 -0.069 0.000 1.212 6187 W CA 0.421 57.737 57.345 -0.048 0.000 1.260 6187 W CB -0.156 29.239 29.460 -0.108 0.000 1.131 6187 W HN 0.182 nan 8.180 nan 0.000 0.530 6188 Q N 0.875 120.756 119.800 0.135 0.000 2.050 6188 Q HA -0.205 4.131 4.340 -0.006 0.000 0.202 6188 Q C 2.390 178.412 176.000 0.037 0.000 0.980 6188 Q CA 1.988 57.821 55.803 0.051 0.000 0.840 6188 Q CB -0.402 28.346 28.738 0.017 0.000 0.898 6188 Q HN 0.246 nan 8.270 nan 0.000 0.424 6189 A N 0.273 123.110 122.820 0.028 0.000 2.015 6189 A HA -0.102 4.214 4.320 -0.006 0.000 0.219 6189 A C 1.800 179.407 177.584 0.038 0.000 1.163 6189 A CA 1.158 53.207 52.037 0.019 0.000 0.646 6189 A CB -0.327 18.672 19.000 -0.001 0.000 0.806 6189 A HN 0.458 nan 8.150 nan 0.000 0.448 6190 M N -1.273 118.371 119.600 0.074 0.000 2.561 6190 M HA 0.181 4.658 4.480 -0.006 0.000 0.238 6190 M C 1.318 177.660 176.300 0.070 0.000 1.131 6190 M CA 0.745 56.100 55.300 0.091 0.000 1.046 6190 M CB 0.266 32.967 32.600 0.168 0.000 1.532 6190 M HN 0.595 nan 8.290 nan 0.000 0.497 6191 G N 0.487 109.317 108.800 0.050 0.000 2.176 6191 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.253 6191 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.253 6191 G C 0.117 175.019 174.900 0.003 0.000 0.979 6191 G CA -0.201 44.913 45.100 0.023 0.000 0.641 6191 G HN 0.305 nan 8.290 nan 0.000 0.530 6192 V N 1.754 121.675 119.914 0.012 0.000 2.673 6192 V HA 0.197 4.314 4.120 -0.006 0.000 0.303 6192 V C 1.847 177.889 176.094 -0.087 0.000 1.046 6192 V CA 1.210 63.479 62.300 -0.052 0.000 1.126 6192 V CB 1.253 33.028 31.823 -0.081 0.000 0.934 6192 V HN 0.391 nan 8.190 nan 0.000 0.487 6193 M N 3.013 122.548 119.600 -0.107 0.000 2.394 6193 M HA 0.140 4.616 4.480 -0.006 0.000 0.266 6193 M C 0.517 176.736 176.300 -0.135 0.000 1.098 6193 M CA 0.814 56.050 55.300 -0.106 0.000 1.149 6193 M CB 0.062 32.619 32.600 -0.071 0.000 1.369 6193 M HN 0.960 nan 8.290 nan 0.000 0.450 6194 N N -1.573 117.016 118.700 -0.184 0.000 3.127 6194 N HA 0.139 4.875 4.740 -0.006 0.000 0.239 6194 N C -2.052 173.314 175.510 -0.240 0.000 1.407 6194 N CA -0.642 52.307 53.050 -0.167 0.000 0.891 6194 N CB 1.077 39.523 38.487 -0.067 0.000 1.447 6194 N HN -0.117 nan 8.380 nan 0.000 0.507 6195 Y N -0.072 120.181 120.300 -0.079 0.000 2.377 6195 Y HA 0.515 5.061 4.550 -0.007 0.000 0.339 6195 Y C 0.368 176.215 175.900 -0.089 0.000 1.011 6195 Y CA -0.115 57.921 58.100 -0.107 0.000 1.093 6195 Y CB 1.588 39.965 38.460 -0.139 0.000 1.201 6195 Y HN 0.811 nan 8.280 nan 0.000 0.455 6196 E N -0.032 120.230 120.200 0.103 0.000 2.368 6196 E HA 0.522 4.868 4.350 -0.006 0.000 0.257 6196 E C -1.044 175.576 176.600 0.032 0.000 1.022 6196 E CA -0.738 55.694 56.400 0.053 0.000 0.886 6196 E CB 1.149 30.870 29.700 0.035 0.000 1.740 6196 E HN 0.448 nan 8.360 nan 0.000 0.456 6197 M N -0.554 119.061 119.600 0.025 0.000 2.340 6197 M HA 0.334 4.810 4.480 -0.006 0.000 0.345 6197 M C -0.166 176.138 176.300 0.007 0.000 1.008 6197 M CA 0.218 55.526 55.300 0.014 0.000 0.987 6197 M CB 0.694 33.308 32.600 0.025 0.000 1.598 6197 M HN 0.512 nan 8.290 nan 0.000 0.569 6198 E N -0.705 119.498 120.200 0.005 0.000 2.500 6198 E HA 0.070 4.417 4.350 -0.006 0.000 0.217 6198 E C 1.793 178.384 176.600 -0.015 0.000 0.848 6198 E CA 0.536 56.934 56.400 -0.004 0.000 1.217 6198 E CB 0.429 30.130 29.700 0.001 0.000 1.217 6198 E HN 0.302 nan 8.360 nan 0.000 0.573 6199 S N 0.668 116.361 115.700 -0.012 0.000 2.402 6199 S HA -0.027 4.439 4.470 -0.006 0.000 0.229 6199 S C 2.196 176.783 174.600 -0.021 0.000 1.021 6199 S CA 0.837 59.026 58.200 -0.018 0.000 0.974 6199 S CB -0.168 63.024 63.200 -0.014 0.000 0.800 6199 S HN 0.214 nan 8.310 nan 0.000 0.484 6200 A N 1.829 124.640 122.820 -0.015 0.000 1.902 6200 A HA -0.036 4.280 4.320 -0.006 0.000 0.217 6200 A C 2.430 180.012 177.584 -0.003 0.000 1.181 6200 A CA 2.143 54.179 52.037 -0.002 0.000 0.623 6200 A CB -1.672 17.333 19.000 0.007 0.000 0.818 6200 A HN 0.565 nan 8.150 nan 0.000 0.443 6201 T N -0.000 114.544 114.554 -0.017 0.000 2.737 6201 T HA -0.116 4.230 4.350 -0.006 0.000 0.265 6201 T C 1.879 176.496 174.700 -0.139 0.000 1.038 6201 T CA 1.494 63.569 62.100 -0.043 0.000 1.144 6201 T CB -0.417 68.434 68.868 -0.028 0.000 0.866 6201 T HN 0.352 nan 8.240 nan 0.000 0.434 6202 L N 1.084 122.232 121.223 -0.126 0.000 1.989 6202 L HA -0.015 4.322 4.340 -0.006 0.000 0.211 6202 L C 2.192 178.967 176.870 -0.159 0.000 1.071 6202 L CA 1.728 56.460 54.840 -0.179 0.000 0.749 6202 L CB -0.704 41.285 42.059 -0.117 0.000 0.890 6202 L HN 0.242 nan 8.230 nan 0.000 0.431 6203 L N -1.255 119.923 121.223 -0.074 0.000 2.093 6203 L HA -0.176 4.161 4.340 -0.006 0.000 0.208 6203 L C 2.356 179.226 176.870 0.001 0.000 1.085 6203 L CA 1.643 56.470 54.840 -0.023 0.000 0.755 6203 L CB -1.122 40.943 42.059 0.010 0.000 0.904 6203 L HN 0.319 nan 8.230 nan 0.000 0.435 6204 T N 0.567 115.117 114.554 -0.006 0.000 2.737 6204 T HA -0.196 4.151 4.350 -0.006 0.000 0.265 6204 T C 1.861 176.481 174.700 -0.134 0.000 1.038 6204 T CA 1.826 63.948 62.100 0.036 0.000 1.144 6204 T CB -0.220 68.692 68.868 0.074 0.000 0.866 6204 T HN 0.439 nan 8.240 nan 0.000 0.434 6205 M N 0.163 119.545 119.600 -0.364 0.000 2.296 6205 M HA 0.004 4.481 4.480 -0.006 0.000 0.265 6205 M C 2.175 178.231 176.300 -0.407 0.000 1.064 6205 M CA 1.421 56.282 55.300 -0.732 0.000 1.109 6205 M CB -1.019 30.680 32.600 -1.501 0.000 1.396 6205 M HN 0.176 nan 8.290 nan 0.000 0.430 6206 C N 1.320 120.464 119.300 -0.260 0.000 2.500 6206 C HA 0.208 4.664 4.460 -0.006 0.000 0.279 6206 C C 3.274 178.256 174.990 -0.013 0.000 1.288 6206 C CA 0.916 59.857 59.018 -0.128 0.000 1.710 6206 C CB -1.060 26.630 27.740 -0.083 0.000 2.052 6206 C HN 0.757 nan 8.230 nan 0.000 0.488 6207 A N 1.078 123.928 122.820 0.051 0.000 2.024 6207 A HA -0.140 4.176 4.320 -0.006 0.000 0.220 6207 A C 2.121 179.828 177.584 0.204 0.000 1.164 6207 A CA 2.179 54.322 52.037 0.177 0.000 0.643 6207 A CB -0.583 18.600 19.000 0.304 0.000 0.806 6207 A HN 0.723 nan 8.150 nan 0.000 0.451 6208 S N -2.091 113.611 115.700 0.003 0.000 2.556 6208 S HA 0.198 4.664 4.470 -0.006 0.000 0.216 6208 S C 0.861 175.425 174.600 -0.060 0.000 0.970 6208 S CA 0.179 58.282 58.200 -0.162 0.000 0.912 6208 S CB 0.109 62.978 63.200 -0.552 0.000 0.790 6208 S HN 0.626 nan 8.310 nan 0.000 0.504 6209 Q N 0.286 120.075 119.800 -0.018 0.000 2.057 6209 Q HA 0.339 4.675 4.340 -0.006 0.000 0.216 6209 Q C 0.576 176.596 176.000 0.032 0.000 0.788 6209 Q CA 0.039 55.845 55.803 0.005 0.000 1.053 6209 Q CB 1.096 29.828 28.738 -0.011 0.000 1.210 6209 Q HN 0.622 nan 8.270 nan 0.000 0.455 6210 G N 1.504 110.334 108.800 0.050 0.000 2.176 6210 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.252 6210 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.252 6210 G C -0.143 174.801 174.900 0.073 0.000 1.024 6210 G CA 0.239 45.377 45.100 0.062 0.000 0.755 6210 G HN 0.255 nan 8.290 nan 0.000 0.507 6211 L N -0.643 120.629 121.223 0.081 0.000 2.334 6211 L HA 0.669 5.006 4.340 -0.006 0.000 0.273 6211 L C 0.908 177.857 176.870 0.131 0.000 1.013 6211 L CA -1.182 53.736 54.840 0.131 0.000 0.816 6211 L CB 1.444 43.613 42.059 0.183 0.000 1.278 6211 L HN 0.057 nan 8.230 nan 0.000 0.431 6212 R N 1.647 122.237 120.500 0.150 0.000 2.349 6212 R HA 0.778 5.114 4.340 -0.006 0.000 0.299 6212 R C -0.726 175.676 176.300 0.170 0.000 1.027 6212 R CA -0.510 55.665 56.100 0.125 0.000 0.958 6212 R CB 1.598 31.949 30.300 0.084 0.000 1.047 6212 R HN 0.714 nan 8.270 nan 0.000 0.468 6213 A N 1.403 124.297 122.820 0.123 0.000 2.475 6213 A HA 0.801 5.117 4.320 -0.006 0.000 0.301 6213 A C -0.716 176.910 177.584 0.070 0.000 1.059 6213 A CA -0.647 51.464 52.037 0.123 0.000 0.710 6213 A CB 2.180 21.229 19.000 0.081 0.000 1.288 6213 A HN 0.764 nan 8.150 nan 0.000 0.408 6214 G N -0.345 108.493 108.800 0.063 0.000 2.605 6214 G HA2 0.704 4.660 3.960 -0.006 0.000 0.296 6214 G HA3 0.704 4.660 3.960 -0.006 0.000 0.296 6214 G C -1.180 173.737 174.900 0.029 0.000 1.304 6214 G CA -0.571 44.546 45.100 0.030 0.000 0.941 6214 G HN 1.232 nan 8.290 nan 0.000 0.475 6215 M N 1.405 121.013 119.600 0.014 0.000 2.224 6215 M HA 0.678 5.155 4.480 -0.006 0.000 0.281 6215 M C -1.876 174.429 176.300 0.008 0.000 1.025 6215 M CA -0.842 54.466 55.300 0.013 0.000 0.954 6215 M CB 1.785 34.389 32.600 0.007 0.000 1.639 6215 M HN 0.794 nan 8.290 nan 0.000 0.461 6216 V N 4.066 123.987 119.914 0.012 0.000 2.925 6216 V HA 1.057 5.174 4.120 -0.006 0.000 0.311 6216 V C -1.694 174.411 176.094 0.018 0.000 1.104 6216 V CA 0.185 62.493 62.300 0.013 0.000 0.954 6216 V CB 2.004 33.833 31.823 0.009 0.000 1.022 6216 V HN 1.275 nan 8.190 nan 0.000 0.427 6217 A N 3.570 126.403 122.820 0.022 0.000 2.549 6217 A HA 0.912 5.228 4.320 -0.006 0.000 0.297 6217 A C -0.252 177.352 177.584 0.032 0.000 1.061 6217 A CA -0.163 51.889 52.037 0.025 0.000 0.690 6217 A CB 1.845 20.859 19.000 0.024 0.000 1.287 6217 A HN 1.663 nan 8.150 nan 0.000 0.402 6218 G N 0.109 108.927 108.800 0.031 0.000 2.348 6218 G HA2 0.526 4.482 3.960 -0.006 0.000 0.312 6218 G HA3 0.526 4.482 3.960 -0.006 0.000 0.312 6218 G C -0.443 174.475 174.900 0.030 0.000 1.126 6218 G CA -0.350 44.769 45.100 0.032 0.000 0.865 6218 G HN 0.901 nan 8.290 nan 0.000 0.474 6219 V N 3.386 123.318 119.914 0.030 0.000 2.508 6219 V HA 0.112 4.228 4.120 -0.006 0.000 0.281 6219 V C 1.330 177.438 176.094 0.023 0.000 1.041 6219 V CA 0.176 62.492 62.300 0.028 0.000 1.016 6219 V CB 0.847 32.687 31.823 0.029 0.000 0.984 6219 V HN 0.771 nan 8.190 nan 0.000 0.478 6220 I N 3.140 123.727 120.570 0.028 0.000 4.181 6220 I HA 0.540 4.706 4.170 -0.006 0.000 0.331 6220 I C 0.195 176.330 176.117 0.031 0.000 1.312 6220 I CA 0.259 61.576 61.300 0.029 0.000 1.146 6220 I CB 1.099 39.120 38.000 0.036 0.000 1.074 6220 I HN 0.418 nan 8.210 nan 0.000 0.402 6221 V N 1.380 121.311 119.914 0.029 0.000 3.077 6221 V HA 0.443 4.560 4.120 -0.006 0.000 0.299 6221 V C -1.788 174.316 176.094 0.017 0.000 1.276 6221 V CA -0.590 61.726 62.300 0.026 0.000 0.993 6221 V CB 2.352 34.196 31.823 0.034 0.000 1.076 6221 V HN 0.336 nan 8.190 nan 0.000 0.434 6222 N N 4.775 123.482 118.700 0.012 0.000 2.469 6222 N HA 0.382 5.118 4.740 -0.006 0.000 0.253 6222 N C 0.621 176.136 175.510 0.008 0.000 0.970 6222 N CA -0.537 52.515 53.050 0.002 0.000 0.940 6222 N CB 1.552 40.034 38.487 -0.008 0.000 1.128 6222 N HN 0.600 nan 8.380 nan 0.000 0.503 6223 R N 1.013 121.523 120.500 0.017 0.000 2.280 6223 R HA -0.031 4.306 4.340 -0.006 0.000 0.207 6223 R C 1.442 177.759 176.300 0.029 0.000 1.043 6223 R CA 0.782 56.903 56.100 0.034 0.000 1.006 6223 R CB -0.718 29.630 30.300 0.080 0.000 0.885 6223 R HN 0.679 nan 8.270 nan 0.000 0.467 6224 T N -2.666 111.890 114.554 0.005 0.000 3.072 6224 T HA -0.042 4.304 4.350 -0.006 0.000 0.266 6224 T C 1.507 176.205 174.700 -0.003 0.000 1.127 6224 T CA 0.843 62.939 62.100 -0.007 0.000 1.107 6224 T CB 0.182 69.023 68.868 -0.044 0.000 0.910 6224 T HN 0.254 nan 8.240 nan 0.000 0.513 6225 Q N 0.265 120.067 119.800 0.004 0.000 2.477 6225 Q HA 0.271 4.607 4.340 -0.006 0.000 0.252 6225 Q C 0.646 176.657 176.000 0.019 0.000 0.869 6225 Q CA -0.017 55.790 55.803 0.007 0.000 0.969 6225 Q CB 0.615 29.355 28.738 0.003 0.000 1.144 6225 Q HN 0.786 nan 8.270 nan 0.000 0.577 6226 Q N -1.136 118.678 119.800 0.024 0.000 2.575 6226 Q HA 0.314 4.650 4.340 -0.006 0.000 0.290 6226 Q C -0.582 175.438 176.000 0.034 0.000 0.963 6226 Q CA -0.547 55.276 55.803 0.034 0.000 0.783 6226 Q CB 0.959 29.717 28.738 0.034 0.000 1.467 6226 Q HN -0.061 nan 8.270 nan 0.000 0.402 6227 E N 0.420 120.647 120.200 0.045 0.000 2.190 6227 E HA 0.227 4.574 4.350 -0.006 0.000 0.191 6227 E C 0.110 176.734 176.600 0.039 0.000 0.978 6227 E CA 0.674 57.091 56.400 0.029 0.000 0.839 6227 E CB 0.557 30.294 29.700 0.061 0.000 0.787 6227 E HN 0.416 nan 8.360 nan 0.000 0.473 6228 I N 1.675 122.291 120.570 0.077 0.000 2.582 6228 I HA 0.249 4.415 4.170 -0.006 0.000 0.292 6228 I C -2.524 173.639 176.117 0.076 0.000 1.066 6228 I CA -2.736 58.628 61.300 0.106 0.000 1.053 6228 I CB 2.287 40.373 38.000 0.143 0.000 1.241 6228 I HN -0.217 nan 8.210 nan 0.000 0.421 6229 P HA 0.098 nan 4.420 nan 0.000 0.269 6229 P C -1.036 176.290 177.300 0.044 0.000 1.215 6229 P CA -0.367 62.763 63.100 0.049 0.000 0.780 6229 P CB 0.274 32.002 31.700 0.045 0.000 0.898 6230 N N 0.177 118.897 118.700 0.033 0.000 2.407 6230 N HA 0.169 4.905 4.740 -0.006 0.000 0.250 6230 N C 0.538 176.063 175.510 0.025 0.000 1.236 6230 N CA 0.088 53.155 53.050 0.028 0.000 0.879 6230 N CB -0.014 38.486 38.487 0.022 0.000 1.088 6230 N HN 0.462 nan 8.380 nan 0.000 0.450 6240 H N 3.091 122.154 119.070 -0.011 0.000 2.352 6240 H HA -0.119 4.433 4.556 -0.006 0.000 0.299 6240 H C 2.378 177.697 175.328 -0.014 0.000 1.097 6240 H CA 1.722 57.761 56.048 -0.013 0.000 1.311 6240 H CB 0.132 29.887 29.762 -0.012 0.000 1.377 6240 H HN 0.763 nan 8.280 nan 0.000 0.504 6241 A N 0.660 123.550 122.820 0.118 0.000 1.908 6241 A HA -0.146 4.170 4.320 -0.006 0.000 0.218 6241 A C 2.734 180.332 177.584 0.023 0.000 1.181 6241 A CA 1.645 53.715 52.037 0.055 0.000 0.627 6241 A CB -0.843 18.184 19.000 0.044 0.000 0.818 6241 A HN 0.202 nan 8.150 nan 0.000 0.445 6242 V N 0.205 120.130 119.914 0.018 0.000 2.307 6242 V HA -0.243 3.874 4.120 -0.006 0.000 0.245 6242 V C 2.562 178.644 176.094 -0.020 0.000 1.045 6242 V CA 2.436 64.733 62.300 -0.005 0.000 1.024 6242 V CB -0.639 31.177 31.823 -0.012 0.000 0.651 6242 V HN 0.709 nan 8.190 nan 0.000 0.449 6243 K N 0.676 121.058 120.400 -0.030 0.000 2.074 6243 K HA -0.180 4.136 4.320 -0.006 0.000 0.209 6243 K C 1.803 178.373 176.600 -0.050 0.000 1.048 6243 K CA 1.925 58.179 56.287 -0.056 0.000 0.926 6243 K CB -0.526 31.913 32.500 -0.102 0.000 0.713 6243 K HN 0.456 nan 8.250 nan 0.000 0.444 6244 I N -0.310 120.237 120.570 -0.039 0.000 2.252 6244 I HA -0.219 3.948 4.170 -0.006 0.000 0.245 6244 I C 2.217 178.319 176.117 -0.025 0.000 1.102 6244 I CA 0.898 62.178 61.300 -0.032 0.000 1.385 6244 I CB -0.232 37.758 38.000 -0.017 0.000 1.064 6244 I HN 0.058 nan 8.210 nan 0.000 0.414 6245 V N 0.311 120.215 119.914 -0.017 0.000 2.490 6245 V HA -0.202 3.915 4.120 -0.006 0.000 0.250 6245 V C 2.321 178.403 176.094 -0.019 0.000 1.061 6245 V CA 1.643 63.935 62.300 -0.013 0.000 1.064 6245 V CB 0.146 31.967 31.823 -0.004 0.000 0.670 6245 V HN 0.214 nan 8.190 nan 0.000 0.461 6246 V N -0.017 119.883 119.914 -0.024 0.000 2.323 6246 V HA -0.172 3.944 4.120 -0.006 0.000 0.244 6246 V C 2.501 178.578 176.094 -0.028 0.000 1.041 6246 V CA 2.156 64.441 62.300 -0.026 0.000 1.025 6246 V CB -0.591 31.214 31.823 -0.030 0.000 0.656 6246 V HN 0.670 nan 8.190 nan 0.000 0.451 6247 E N 0.969 121.149 120.200 -0.033 0.000 2.110 6247 E HA -0.168 4.179 4.350 -0.006 0.000 0.193 6247 E C 2.078 178.659 176.600 -0.032 0.000 0.988 6247 E CA 1.643 58.022 56.400 -0.034 0.000 0.804 6247 E CB -0.440 29.235 29.700 -0.041 0.000 0.745 6247 E HN 0.503 nan 8.360 nan 0.000 0.458 6248 A N 0.814 123.614 122.820 -0.032 0.000 1.902 6248 A HA -0.031 4.285 4.320 -0.006 0.000 0.217 6248 A C 2.463 180.030 177.584 -0.030 0.000 1.181 6248 A CA 2.010 54.027 52.037 -0.033 0.000 0.623 6248 A CB -1.053 17.928 19.000 -0.032 0.000 0.818 6248 A HN 0.394 nan 8.150 nan 0.000 0.443 6249 A N -0.119 122.686 122.820 -0.026 0.000 1.908 6249 A HA -0.202 4.114 4.320 -0.006 0.000 0.218 6249 A C 2.209 179.778 177.584 -0.026 0.000 1.181 6249 A CA 1.586 53.607 52.037 -0.026 0.000 0.627 6249 A CB -0.527 18.458 19.000 -0.024 0.000 0.818 6249 A HN 0.556 nan 8.150 nan 0.000 0.445 6250 R N -0.719 119.767 120.500 -0.024 0.000 2.117 6250 R HA -0.150 4.186 4.340 -0.006 0.000 0.243 6250 R C 2.255 178.542 176.300 -0.021 0.000 1.143 6250 R CA 1.763 57.850 56.100 -0.022 0.000 0.968 6250 R CB -0.291 29.996 30.300 -0.022 0.000 0.863 6250 R HN 0.517 nan 8.270 nan 0.000 0.444 6251 R N 0.102 120.588 120.500 -0.024 0.000 2.236 6251 R HA 0.026 4.362 4.340 -0.006 0.000 0.208 6251 R C 1.549 177.837 176.300 -0.021 0.000 1.036 6251 R CA 0.641 56.727 56.100 -0.023 0.000 1.001 6251 R CB 0.134 30.416 30.300 -0.030 0.000 0.896 6251 R HN 0.208 nan 8.270 nan 0.000 0.464 6252 L N 0.394 121.603 121.223 -0.023 0.000 2.693 6252 L HA 0.219 4.555 4.340 -0.006 0.000 0.235 6252 L C 0.513 177.370 176.870 -0.022 0.000 1.127 6252 L CA -0.204 54.623 54.840 -0.021 0.000 0.914 6252 L CB 0.226 42.270 42.059 -0.025 0.000 1.193 6252 L HN 0.024 nan 8.230 nan 0.000 0.502 6253 L N 0.000 121.210 121.223 -0.021 0.000 2.949 6253 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 6253 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 6253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502