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 2rj3_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 TQQEIPNAET MKQTESHAVK 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 0.000 174.595 174.600 -0.008 0.000 1.055 6004 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 6004 S CB 0.000 63.165 63.200 -0.058 0.000 0.593 6005 D N 1.111 121.511 120.400 0.001 0.000 2.234 6005 D HA 0.097 4.736 4.640 -0.000 0.000 0.205 6005 D C 1.044 177.359 176.300 0.025 0.000 0.962 6005 D CA 1.704 55.712 54.000 0.013 0.000 0.855 6005 D CB 0.320 41.128 40.800 0.013 0.000 0.951 6005 D HN 0.577 nan 8.370 nan 0.000 0.500 6006 V N -2.656 117.271 119.914 0.021 0.000 2.960 6006 V HA 0.368 4.488 4.120 -0.000 0.000 0.315 6006 V C 0.781 176.898 176.094 0.038 0.000 1.087 6006 V CA -0.982 61.346 62.300 0.046 0.000 0.982 6006 V CB 1.714 33.560 31.823 0.039 0.000 1.039 6006 V HN -0.140 nan 8.190 nan 0.000 0.437 6007 F N 1.019 120.907 119.950 -0.103 0.000 2.234 6007 F HA 0.109 4.635 4.527 -0.000 0.000 0.296 6007 F C 1.935 177.537 175.800 -0.329 0.000 1.089 6007 F CA 2.309 60.169 58.000 -0.233 0.000 1.343 6007 F CB -0.008 38.809 39.000 -0.306 0.000 1.040 6007 F HN 0.830 nan 8.300 nan 0.000 0.498 6008 H N -1.145 117.882 119.070 -0.072 0.000 2.460 6008 H HA 0.215 4.771 4.556 -0.000 0.000 0.297 6008 H C 2.005 177.267 175.328 -0.110 0.000 1.023 6008 H CA 1.153 57.118 56.048 -0.138 0.000 1.321 6008 H CB -0.090 29.611 29.762 -0.103 0.000 1.455 6008 H HN 0.120 nan 8.280 nan 0.000 0.539 6009 L N -0.415 120.800 121.223 -0.014 0.000 2.313 6009 L HA 0.155 4.495 4.340 -0.000 0.000 0.214 6009 L C 1.173 178.130 176.870 0.144 0.000 1.119 6009 L CA 0.590 55.460 54.840 0.050 0.000 0.809 6009 L CB -0.233 41.813 42.059 -0.021 0.000 0.933 6009 L HN 0.497 nan 8.230 nan 0.000 0.449 6010 G N 1.109 109.922 108.800 0.021 0.000 2.272 6010 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.280 6010 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.280 6010 G C -0.384 174.552 174.900 0.060 0.000 1.067 6010 G CA -0.060 45.047 45.100 0.012 0.000 0.902 6010 G HN 0.083 nan 8.290 nan 0.000 0.500 6011 L N 0.111 121.354 121.223 0.032 0.000 2.303 6011 L HA 0.922 5.262 4.340 -0.000 0.000 0.266 6011 L C 0.908 177.785 176.870 0.012 0.000 1.011 6011 L CA -0.358 54.498 54.840 0.026 0.000 0.818 6011 L CB 1.871 43.949 42.059 0.031 0.000 1.326 6011 L HN 0.516 nan 8.230 nan 0.000 0.435 6012 T N -2.940 111.619 114.554 0.007 0.000 2.940 6012 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 6012 T C 0.814 175.517 174.700 0.005 0.000 1.045 6012 T CA -0.722 61.380 62.100 0.004 0.000 1.018 6012 T CB 1.414 70.282 68.868 -0.000 0.000 1.151 6012 T HN 0.505 nan 8.240 nan 0.000 0.529 6013 K N 0.413 120.815 120.400 0.005 0.000 2.147 6013 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 6013 K C 2.170 178.769 176.600 -0.002 0.000 1.049 6013 K CA 1.204 57.492 56.287 0.003 0.000 0.936 6013 K CB -0.232 32.270 32.500 0.004 0.000 0.722 6013 K HN 0.641 nan 8.250 nan 0.000 0.446 6014 N N 1.413 120.110 118.700 -0.004 0.000 2.244 6014 N HA -0.172 4.567 4.740 -0.000 0.000 0.183 6014 N C 0.996 176.500 175.510 -0.010 0.000 1.016 6014 N CA 1.054 54.100 53.050 -0.007 0.000 0.866 6014 N CB 0.079 38.562 38.487 -0.008 0.000 0.980 6014 N HN 0.147 nan 8.380 nan 0.000 0.430 6015 D N 1.034 121.428 120.400 -0.010 0.000 2.182 6015 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 6015 D C 1.920 178.213 176.300 -0.012 0.000 0.986 6015 D CA 0.681 54.672 54.000 -0.016 0.000 0.847 6015 D CB 0.000 40.792 40.800 -0.013 0.000 0.942 6015 D HN 0.439 nan 8.370 nan 0.000 0.467 6016 L N -0.089 121.130 121.223 -0.007 0.000 2.395 6016 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 6016 L C 0.590 177.454 176.870 -0.009 0.000 1.130 6016 L CA 0.278 55.114 54.840 -0.006 0.000 0.826 6016 L CB -0.298 41.756 42.059 -0.008 0.000 0.941 6016 L HN -0.061 nan 8.230 nan 0.000 0.451 6017 Q N 0.101 119.895 119.800 -0.010 0.000 2.481 6017 Q HA -0.261 4.079 4.340 -0.000 0.000 0.272 6017 Q C 1.158 177.152 176.000 -0.010 0.000 1.157 6017 Q CA 0.913 56.710 55.803 -0.009 0.000 0.935 6017 Q CB -1.999 26.734 28.738 -0.009 0.000 1.338 6017 Q HN 0.811 nan 8.270 nan 0.000 0.494 6018 G N -1.888 106.905 108.800 -0.012 0.000 2.175 6018 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 6018 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 6018 G C 0.333 175.220 174.900 -0.021 0.000 0.982 6018 G CA 0.325 45.417 45.100 -0.014 0.000 0.641 6018 G HN 1.204 nan 8.290 nan 0.000 0.527 6019 A N -0.256 122.550 122.820 -0.024 0.000 2.540 6019 A HA 0.572 4.892 4.320 -0.000 0.000 0.239 6019 A C 1.056 178.605 177.584 -0.058 0.000 1.061 6019 A CA 1.478 53.493 52.037 -0.037 0.000 0.758 6019 A CB 0.247 19.227 19.000 -0.033 0.000 0.991 6019 A HN 0.566 nan 8.150 nan 0.000 0.502 6020 Q N 0.872 120.628 119.800 -0.074 0.000 2.211 6020 Q HA 0.297 4.637 4.340 -0.000 0.000 0.242 6020 Q C -0.134 175.764 176.000 -0.170 0.000 0.825 6020 Q CA -0.066 55.676 55.803 -0.103 0.000 0.951 6020 Q CB 0.659 29.356 28.738 -0.068 0.000 1.130 6020 Q HN 0.764 nan 8.270 nan 0.000 0.496 6021 L N 0.600 121.731 121.223 -0.152 0.000 2.334 6021 L HA 0.801 5.141 4.340 -0.000 0.000 0.276 6021 L C -1.550 175.206 176.870 -0.190 0.000 1.014 6021 L CA -0.640 54.087 54.840 -0.189 0.000 0.815 6021 L CB 1.544 43.538 42.059 -0.108 0.000 1.268 6021 L HN -0.095 nan 8.230 nan 0.000 0.428 6022 A N 5.640 128.309 122.820 -0.252 0.000 2.374 6022 A HA 0.668 4.988 4.320 -0.000 0.000 0.305 6022 A C -1.000 176.566 177.584 -0.030 0.000 1.053 6022 A CA -0.550 51.406 52.037 -0.135 0.000 0.726 6022 A CB 1.056 19.959 19.000 -0.161 0.000 1.229 6022 A HN 0.668 nan 8.150 nan 0.000 0.431 6023 I N 2.714 123.293 120.570 0.016 0.000 2.325 6023 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 6023 I C -0.209 175.955 176.117 0.077 0.000 1.019 6023 I CA -0.661 60.664 61.300 0.043 0.000 1.302 6023 I CB 1.633 39.647 38.000 0.022 0.000 1.401 6023 I HN 0.450 nan 8.210 nan 0.000 0.485 6024 V N 5.703 125.677 119.914 0.100 0.000 2.305 6024 V HA 0.541 4.661 4.120 -0.000 0.000 0.275 6024 V C -2.581 173.561 176.094 0.080 0.000 1.020 6024 V CA -1.897 60.473 62.300 0.118 0.000 0.811 6024 V CB 0.630 32.560 31.823 0.179 0.000 1.031 6024 V HN 0.458 nan 8.190 nan 0.000 0.439 6025 P HA 0.363 nan 4.420 nan 0.000 0.278 6025 P C 0.905 178.228 177.300 0.038 0.000 1.266 6025 P CA 0.165 63.286 63.100 0.036 0.000 0.807 6025 P CB 1.923 33.633 31.700 0.015 0.000 1.094 6026 G N -0.404 108.407 108.800 0.018 0.000 2.408 6026 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.213 6026 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.213 6026 G C 0.342 175.234 174.900 -0.013 0.000 1.177 6026 G CA 0.409 45.513 45.100 0.006 0.000 0.802 6026 G HN 0.497 nan 8.290 nan 0.000 0.533 6027 D N 0.986 121.375 120.400 -0.019 0.000 2.343 6027 D HA 0.168 4.807 4.640 -0.000 0.000 0.255 6027 D C -0.978 175.309 176.300 -0.023 0.000 1.187 6027 D CA -2.146 51.835 54.000 -0.033 0.000 0.875 6027 D CB 2.042 42.820 40.800 -0.037 0.000 1.136 6027 D HN 0.040 nan 8.370 nan 0.000 0.469 6028 P HA -0.145 nan 4.420 nan 0.000 0.218 6028 P C 1.005 178.300 177.300 -0.008 0.000 1.149 6028 P CA 0.776 63.873 63.100 -0.004 0.000 0.817 6028 P CB 0.352 32.041 31.700 -0.020 0.000 0.785 6029 E N -0.343 119.840 120.200 -0.028 0.000 2.478 6029 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 6029 E C 1.689 178.249 176.600 -0.067 0.000 1.046 6029 E CA 0.291 56.667 56.400 -0.039 0.000 0.870 6029 E CB 0.086 29.763 29.700 -0.038 0.000 0.818 6029 E HN 0.026 nan 8.360 nan 0.000 0.527 6030 R N -0.335 120.125 120.500 -0.065 0.000 2.265 6030 R HA 0.045 4.385 4.340 -0.000 0.000 0.194 6030 R C 2.153 178.377 176.300 -0.127 0.000 0.931 6030 R CA 0.219 56.268 56.100 -0.086 0.000 1.032 6030 R CB -0.103 30.164 30.300 -0.055 0.000 0.980 6030 R HN 0.100 nan 8.270 nan 0.000 0.497 6031 V N 1.486 121.330 119.914 -0.117 0.000 2.282 6031 V HA -0.286 3.833 4.120 -0.000 0.000 0.249 6031 V C 2.449 178.279 176.094 -0.439 0.000 1.057 6031 V CA 2.265 64.475 62.300 -0.150 0.000 1.032 6031 V CB -0.480 31.343 31.823 0.001 0.000 0.645 6031 V HN 0.367 nan 8.190 nan 0.000 0.447 6032 E N 0.295 120.097 120.200 -0.662 0.000 2.058 6032 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 6032 E C 2.205 178.420 176.600 -0.642 0.000 0.997 6032 E CA 1.678 57.417 56.400 -1.101 0.000 0.801 6032 E CB -0.094 29.134 29.700 -0.786 0.000 0.746 6032 E HN 0.503 nan 8.360 nan 0.000 0.450 6033 K N 0.192 120.373 120.400 -0.364 0.000 2.074 6033 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 6033 K C 1.972 178.453 176.600 -0.198 0.000 1.048 6033 K CA 1.689 57.837 56.287 -0.231 0.000 0.926 6033 K CB -0.145 32.265 32.500 -0.151 0.000 0.713 6033 K HN 0.277 nan 8.250 nan 0.000 0.444 6034 I N -0.357 120.098 120.570 -0.192 0.000 2.406 6034 I HA -0.141 4.029 4.170 -0.000 0.000 0.249 6034 I C 2.187 178.229 176.117 -0.125 0.000 1.122 6034 I CA 0.812 62.036 61.300 -0.126 0.000 1.431 6034 I CB -0.229 37.721 38.000 -0.083 0.000 1.087 6034 I HN 0.096 nan 8.210 nan 0.000 0.424 6035 A N 0.925 123.631 122.820 -0.190 0.000 1.969 6035 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 6035 A C 2.501 180.021 177.584 -0.106 0.000 1.169 6035 A CA 1.606 53.574 52.037 -0.116 0.000 0.635 6035 A CB -0.700 18.234 19.000 -0.110 0.000 0.810 6035 A HN 0.405 nan 8.150 nan 0.000 0.445 6036 A N -0.329 122.372 122.820 -0.198 0.000 2.070 6036 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 6036 A C 1.911 179.453 177.584 -0.070 0.000 1.159 6036 A CA 1.231 53.189 52.037 -0.131 0.000 0.656 6036 A CB -0.505 18.393 19.000 -0.170 0.000 0.800 6036 A HN 0.487 nan 8.150 nan 0.000 0.453 6037 L N -1.350 119.831 121.223 -0.070 0.000 2.554 6037 L HA 0.119 4.459 4.340 -0.000 0.000 0.226 6037 L C 0.952 177.805 176.870 -0.029 0.000 1.137 6037 L CA 0.041 54.852 54.840 -0.049 0.000 0.863 6037 L CB -0.335 41.691 42.059 -0.055 0.000 0.985 6037 L HN 0.406 nan 8.230 nan 0.000 0.451 6038 M N -1.583 118.007 119.600 -0.017 0.000 2.849 6038 M HA 0.314 4.794 4.480 -0.000 0.000 0.299 6038 M C -0.646 175.664 176.300 0.017 0.000 1.223 6038 M CA -0.874 54.427 55.300 0.001 0.000 0.856 6038 M CB 1.391 33.997 32.600 0.009 0.000 1.680 6038 M HN -0.185 nan 8.290 nan 0.000 0.506 6039 D N 1.102 121.515 120.400 0.021 0.000 2.313 6039 D HA 0.156 4.796 4.640 -0.000 0.000 0.247 6039 D C -0.427 175.900 176.300 0.045 0.000 1.094 6039 D CA 0.074 54.090 54.000 0.027 0.000 0.925 6039 D CB 0.684 41.495 40.800 0.017 0.000 1.188 6039 D HN 0.443 nan 8.370 nan 0.000 0.430 6040 K N -0.213 120.216 120.400 0.048 0.000 3.278 6040 K HA -0.139 4.180 4.320 -0.000 0.000 0.270 6040 K C -2.332 174.327 176.600 0.098 0.000 0.955 6040 K CA 0.081 56.403 56.287 0.058 0.000 0.723 6040 K CB -1.215 31.307 32.500 0.035 0.000 1.382 6040 K HN 0.345 nan 8.250 nan 0.000 0.461 6041 P HA 0.104 nan 4.420 nan 0.000 0.276 6041 P C -0.422 177.063 177.300 0.308 0.000 1.243 6041 P CA -0.078 63.211 63.100 0.315 0.000 0.768 6041 P CB 1.201 33.117 31.700 0.360 0.000 0.856 6042 V N 4.318 124.312 119.914 0.133 0.000 2.483 6042 V HA 0.278 4.398 4.120 -0.000 0.000 0.297 6042 V C 0.562 176.216 176.094 -0.732 0.000 1.027 6042 V CA -0.947 61.201 62.300 -0.253 0.000 0.855 6042 V CB 1.807 33.545 31.823 -0.142 0.000 0.995 6042 V HN 0.476 nan 8.190 nan 0.000 0.424 6043 K N 3.184 122.694 120.400 -1.483 0.000 2.382 6043 K HA 0.355 4.674 4.320 -0.000 0.000 0.275 6043 K C 0.104 176.282 176.600 -0.703 0.000 1.009 6043 K CA -0.019 55.254 56.287 -1.689 0.000 0.970 6043 K CB 0.716 32.397 32.500 -1.365 0.000 0.934 6043 K HN 0.645 nan 8.250 nan 0.000 0.479 6044 L N 2.240 123.171 121.223 -0.486 0.000 2.519 6044 L HA 0.383 4.723 4.340 -0.000 0.000 0.194 6044 L C 0.298 177.077 176.870 -0.151 0.000 1.072 6044 L CA 0.020 54.725 54.840 -0.225 0.000 0.845 6044 L CB 0.500 42.490 42.059 -0.114 0.000 1.138 6044 L HN 0.739 nan 8.230 nan 0.000 0.487 6045 A N -0.951 121.795 122.820 -0.123 0.000 2.586 6045 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 6045 A C -1.291 176.226 177.584 -0.113 0.000 1.062 6045 A CA -0.276 51.694 52.037 -0.112 0.000 0.666 6045 A CB 1.678 20.677 19.000 -0.001 0.000 1.281 6045 A HN -0.139 nan 8.150 nan 0.000 0.421 6046 S N 0.592 116.116 115.700 -0.294 0.000 2.737 6046 S HA 0.643 5.113 4.470 -0.000 0.000 0.269 6046 S C -1.731 172.599 174.600 -0.449 0.000 1.150 6046 S CA -0.470 57.603 58.200 -0.212 0.000 1.077 6046 S CB 0.259 63.394 63.200 -0.108 0.000 1.075 6046 S HN 0.707 nan 8.310 nan 0.000 0.476 6047 H N 3.433 122.573 119.070 0.117 0.000 2.759 6047 H HA 0.538 5.094 4.556 -0.000 0.000 0.354 6047 H C 0.629 176.041 175.328 0.140 0.000 1.074 6047 H CA -0.425 55.693 56.048 0.116 0.000 1.226 6047 H CB 1.577 31.413 29.762 0.123 0.000 1.648 6047 H HN 0.770 nan 8.280 nan 0.000 0.529 6048 R N 0.537 121.137 120.500 0.167 0.000 3.853 6048 R HA -0.231 4.108 4.340 -0.000 0.000 0.440 6048 R C 1.003 177.211 176.300 -0.153 0.000 0.241 6048 R CA 1.985 58.090 56.100 0.008 0.000 1.395 6048 R CB -0.763 29.558 30.300 0.035 0.000 0.984 6048 R HN 0.759 nan 8.270 nan 0.000 0.570 6049 E N 2.000 121.915 120.200 -0.474 0.000 2.437 6049 E HA 0.043 4.393 4.350 -0.000 0.000 0.189 6049 E C -0.235 176.067 176.600 -0.496 0.000 1.054 6049 E CA 0.476 56.580 56.400 -0.494 0.000 0.874 6049 E CB 0.123 29.513 29.700 -0.518 0.000 1.011 6049 E HN 0.372 nan 8.360 nan 0.000 0.474 6050 F N 1.526 121.513 119.950 0.063 0.000 2.291 6050 F HA 0.295 4.822 4.527 -0.000 0.000 0.368 6050 F C 0.120 175.965 175.800 0.075 0.000 1.085 6050 F CA -0.751 57.295 58.000 0.077 0.000 1.165 6050 F CB 1.422 40.484 39.000 0.103 0.000 1.429 6050 F HN -0.303 nan 8.300 nan 0.000 0.503 6051 T N 1.945 116.621 114.554 0.204 0.000 2.749 6051 T HA 0.374 4.724 4.350 -0.000 0.000 0.287 6051 T C -0.132 174.708 174.700 0.234 0.000 0.970 6051 T CA -0.682 61.526 62.100 0.181 0.000 0.980 6051 T CB 0.837 69.796 68.868 0.152 0.000 0.924 6051 T HN 0.512 nan 8.240 nan 0.000 0.456 6052 S N 2.772 118.601 115.700 0.215 0.000 2.473 6052 S HA 0.721 5.191 4.470 -0.000 0.000 0.307 6052 S C -1.364 173.370 174.600 0.223 0.000 1.094 6052 S CA -0.985 57.342 58.200 0.212 0.000 1.070 6052 S CB 1.013 64.294 63.200 0.135 0.000 1.019 6052 S HN 0.652 nan 8.310 nan 0.000 0.480 6053 W N 1.616 122.930 121.300 0.022 0.000 2.761 6053 W HA 0.614 5.274 4.660 -0.000 0.000 0.340 6053 W C 0.226 176.748 176.519 0.007 0.000 1.072 6053 W CA -0.827 56.524 57.345 0.010 0.000 1.215 6053 W CB 1.878 31.342 29.460 0.006 0.000 1.420 6053 W HN 0.770 nan 8.180 nan 0.000 0.519 6054 R N 2.060 122.659 120.500 0.164 0.000 2.532 6054 R HA 0.884 5.224 4.340 -0.000 0.000 0.295 6054 R C -0.687 175.703 176.300 0.151 0.000 0.968 6054 R CA -0.263 55.903 56.100 0.109 0.000 0.916 6054 R CB 1.232 31.547 30.300 0.025 0.000 1.124 6054 R HN 0.612 nan 8.270 nan 0.000 0.463 6055 A N 2.850 125.734 122.820 0.108 0.000 2.567 6055 A HA 0.515 4.835 4.320 -0.000 0.000 0.289 6055 A C -1.504 176.110 177.584 0.049 0.000 1.177 6055 A CA -0.783 51.310 52.037 0.094 0.000 0.694 6055 A CB 1.726 20.787 19.000 0.101 0.000 1.292 6055 A HN 0.742 nan 8.150 nan 0.000 0.425 6056 E N -0.621 119.602 120.200 0.038 0.000 2.238 6056 E HA 0.592 4.941 4.350 -0.000 0.000 0.267 6056 E C -2.054 174.554 176.600 0.013 0.000 0.887 6056 E CA -0.747 55.665 56.400 0.020 0.000 0.769 6056 E CB 2.394 32.104 29.700 0.017 0.000 1.187 6056 E HN 0.340 nan 8.360 nan 0.000 0.416 6057 L N 3.049 124.275 121.223 0.005 0.000 2.482 6057 L HA 0.256 4.596 4.340 -0.000 0.000 0.269 6057 L C -1.130 175.738 176.870 -0.003 0.000 0.967 6057 L CA -0.119 54.720 54.840 -0.001 0.000 0.851 6057 L CB 1.269 43.325 42.059 -0.004 0.000 1.242 6057 L HN 0.520 nan 8.230 nan 0.000 0.404 6058 D N 4.273 124.671 120.400 -0.003 0.000 2.708 6058 D HA -0.204 4.436 4.640 -0.000 0.000 0.236 6058 D C 1.178 177.476 176.300 -0.003 0.000 1.146 6058 D CA 1.521 55.519 54.000 -0.004 0.000 0.662 6058 D CB -0.910 39.887 40.800 -0.006 0.000 1.059 6058 D HN 1.188 nan 8.370 nan 0.000 0.428 6059 G N -0.819 107.980 108.800 -0.001 0.000 2.212 6059 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.266 6059 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.266 6059 G C 0.304 175.203 174.900 -0.001 0.000 0.978 6059 G CA 0.915 46.015 45.100 -0.000 0.000 0.632 6059 G HN 0.501 nan 8.290 nan 0.000 0.537 6060 K N 0.539 120.938 120.400 -0.003 0.000 2.156 6060 K HA 0.742 5.062 4.320 -0.000 0.000 0.254 6060 K C 0.277 176.875 176.600 -0.004 0.000 0.950 6060 K CA -0.143 56.141 56.287 -0.005 0.000 0.849 6060 K CB 2.089 34.583 32.500 -0.009 0.000 1.100 6060 K HN 0.472 nan 8.250 nan 0.000 0.434 6061 A N 1.635 124.452 122.820 -0.005 0.000 2.388 6061 A HA 0.466 4.786 4.320 -0.000 0.000 0.257 6061 A C -0.036 177.544 177.584 -0.008 0.000 1.095 6061 A CA -0.507 51.529 52.037 -0.002 0.000 0.791 6061 A CB 0.209 19.207 19.000 -0.003 0.000 1.029 6061 A HN 0.522 nan 8.150 nan 0.000 0.489 6062 V N 0.449 120.364 119.914 0.002 0.000 2.925 6062 V HA 0.664 4.784 4.120 -0.000 0.000 0.311 6062 V C -0.633 175.470 176.094 0.016 0.000 1.104 6062 V CA -0.998 61.299 62.300 -0.004 0.000 0.954 6062 V CB 1.725 33.545 31.823 -0.004 0.000 1.022 6062 V HN 0.641 nan 8.190 nan 0.000 0.427 6063 I N 3.421 123.994 120.570 0.005 0.000 2.359 6063 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 6063 I C -0.164 175.987 176.117 0.056 0.000 0.987 6063 I CA -0.529 60.793 61.300 0.036 0.000 1.225 6063 I CB 1.742 39.751 38.000 0.015 0.000 1.366 6063 I HN 0.520 nan 8.210 nan 0.000 0.466 6064 V N 5.542 125.519 119.914 0.106 0.000 2.435 6064 V HA 0.502 4.622 4.120 -0.000 0.000 0.290 6064 V C -0.195 175.988 176.094 0.148 0.000 1.030 6064 V CA -0.477 61.888 62.300 0.107 0.000 0.881 6064 V CB 2.017 33.892 31.823 0.085 0.000 0.983 6064 V HN 0.920 nan 8.190 nan 0.000 0.445 6065 C N 4.637 124.020 119.300 0.138 0.000 2.752 6065 C HA 0.646 5.105 4.460 -0.000 0.000 0.360 6065 C C 0.401 175.493 174.990 0.170 0.000 1.081 6065 C CA -0.298 58.822 59.018 0.170 0.000 1.272 6065 C CB 1.073 28.916 27.740 0.172 0.000 1.754 6065 C HN 1.110 nan 8.230 nan 0.000 0.483 6066 S N 3.280 119.086 115.700 0.177 0.000 2.593 6066 S HA 0.446 4.916 4.470 -0.000 0.000 0.269 6066 S C 0.889 175.629 174.600 0.233 0.000 1.334 6066 S CA 0.476 58.764 58.200 0.148 0.000 1.015 6066 S CB 1.296 64.545 63.200 0.083 0.000 0.912 6066 S HN 1.167 nan 8.310 nan 0.000 0.541 6067 T N -2.296 112.353 114.554 0.158 0.000 2.971 6067 T HA 0.538 4.888 4.350 -0.000 0.000 0.252 6067 T C 1.137 175.883 174.700 0.077 0.000 1.022 6067 T CA 0.329 62.553 62.100 0.207 0.000 0.980 6067 T CB -0.791 68.151 68.868 0.124 0.000 1.044 6067 T HN 1.967 nan 8.240 nan 0.000 0.501 6068 G N 1.682 110.453 108.800 -0.048 0.000 2.860 6068 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.553 6068 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.553 6068 G C -0.542 174.327 174.900 -0.052 0.000 1.439 6068 G CA -0.520 44.509 45.100 -0.118 0.000 0.879 6068 G HN 0.660 nan 8.290 nan 0.000 0.545 6069 I N 2.141 122.673 120.570 -0.063 0.000 2.471 6069 I HA 0.497 4.667 4.170 -0.000 0.000 0.286 6069 I C 1.164 177.268 176.117 -0.021 0.000 1.079 6069 I CA 1.308 62.586 61.300 -0.037 0.000 1.398 6069 I CB 0.510 38.478 38.000 -0.052 0.000 1.403 6069 I HN 1.954 nan 8.210 nan 0.000 0.530 6070 G N 3.930 112.728 108.800 -0.003 0.000 2.629 6070 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.686 6070 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.686 6070 G C 0.508 175.413 174.900 0.009 0.000 1.232 6070 G CA -0.483 44.618 45.100 0.003 0.000 0.803 6070 G HN 0.912 nan 8.290 nan 0.000 0.638 6071 G N 0.408 109.212 108.800 0.007 0.000 2.440 6071 G HA2 0.071 4.031 3.960 -0.000 0.000 0.218 6071 G HA3 0.071 4.031 3.960 -0.000 0.000 0.218 6071 G C 0.154 175.064 174.900 0.017 0.000 1.154 6071 G CA 2.114 47.220 45.100 0.010 0.000 0.767 6071 G HN 0.691 nan 8.290 nan 0.000 0.552 6072 P HA -0.147 nan 4.420 nan 0.000 0.214 6072 P C 2.479 179.807 177.300 0.046 0.000 1.163 6072 P CA 2.489 65.591 63.100 0.002 0.000 0.889 6072 P CB -0.274 31.418 31.700 -0.013 0.000 0.790 6073 S N -1.911 113.831 115.700 0.071 0.000 2.383 6073 S HA -0.124 4.345 4.470 -0.000 0.000 0.227 6073 S C 1.917 176.667 174.600 0.250 0.000 1.026 6073 S CA 1.843 60.157 58.200 0.190 0.000 0.981 6073 S CB -2.004 61.241 63.200 0.075 0.000 0.818 6073 S HN 0.112 nan 8.310 nan 0.000 0.472 6074 T N 3.039 117.666 114.554 0.123 0.000 2.746 6074 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 6074 T C 2.342 177.041 174.700 -0.003 0.000 1.039 6074 T CA 1.814 63.954 62.100 0.067 0.000 1.142 6074 T CB -0.766 68.108 68.868 0.009 0.000 0.866 6074 T HN 0.782 nan 8.240 nan 0.000 0.444 6075 S N 1.268 116.975 115.700 0.012 0.000 2.399 6075 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 6075 S C 2.080 176.688 174.600 0.014 0.000 1.022 6075 S CA 0.688 58.901 58.200 0.022 0.000 0.983 6075 S CB -0.750 62.561 63.200 0.185 0.000 0.803 6075 S HN 0.495 nan 8.310 nan 0.000 0.480 6076 I N 2.142 122.708 120.570 -0.006 0.000 2.163 6076 I HA -0.116 4.054 4.170 -0.000 0.000 0.240 6076 I C 3.137 179.148 176.117 -0.176 0.000 1.081 6076 I CA 1.131 62.373 61.300 -0.096 0.000 1.353 6076 I CB -0.747 37.117 38.000 -0.228 0.000 1.054 6076 I HN 0.437 nan 8.210 nan 0.000 0.407 6077 A N 0.465 123.166 122.820 -0.197 0.000 1.865 6077 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 6077 A C 2.416 179.966 177.584 -0.058 0.000 1.191 6077 A CA 2.096 54.028 52.037 -0.176 0.000 0.623 6077 A CB -1.108 17.920 19.000 0.047 0.000 0.826 6077 A HN 0.245 nan 8.150 nan 0.000 0.444 6078 V N 0.193 120.029 119.914 -0.131 0.000 2.295 6078 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 6078 V C 2.647 178.656 176.094 -0.141 0.000 1.049 6078 V CA 2.529 64.628 62.300 -0.335 0.000 1.024 6078 V CB -0.797 30.601 31.823 -0.708 0.000 0.648 6078 V HN 0.781 nan 8.190 nan 0.000 0.447 6079 E N 0.944 121.087 120.200 -0.095 0.000 2.031 6079 E HA -0.241 4.108 4.350 -0.000 0.000 0.193 6079 E C 2.097 178.724 176.600 0.046 0.000 0.994 6079 E CA 2.019 58.416 56.400 -0.005 0.000 0.800 6079 E CB -0.351 29.374 29.700 0.041 0.000 0.752 6079 E HN 0.671 nan 8.360 nan 0.000 0.447 6080 E N -0.472 119.746 120.200 0.029 0.000 2.150 6080 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 6080 E C 2.028 178.665 176.600 0.063 0.000 0.985 6080 E CA 0.735 57.159 56.400 0.040 0.000 0.814 6080 E CB -0.111 29.594 29.700 0.009 0.000 0.752 6080 E HN 0.190 nan 8.360 nan 0.000 0.466 6081 L N 0.766 122.049 121.223 0.100 0.000 2.093 6081 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 6081 L C 2.216 179.195 176.870 0.182 0.000 1.085 6081 L CA 1.667 56.603 54.840 0.160 0.000 0.755 6081 L CB -0.603 41.637 42.059 0.301 0.000 0.904 6081 L HN 0.033 nan 8.230 nan 0.000 0.435 6082 A N -1.702 121.272 122.820 0.257 0.000 1.929 6082 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 6082 A C 2.171 179.820 177.584 0.109 0.000 1.176 6082 A CA 1.242 53.414 52.037 0.224 0.000 0.628 6082 A CB -0.432 18.714 19.000 0.243 0.000 0.816 6082 A HN 0.534 nan 8.150 nan 0.000 0.444 6083 Q N -0.626 119.225 119.800 0.087 0.000 2.234 6083 Q HA -0.071 4.269 4.340 -0.000 0.000 0.206 6083 Q C 1.618 177.646 176.000 0.046 0.000 0.980 6083 Q CA 1.165 57.003 55.803 0.058 0.000 0.869 6083 Q CB -0.249 28.521 28.738 0.052 0.000 0.912 6083 Q HN 0.666 nan 8.270 nan 0.000 0.436 6084 L N -1.637 119.615 121.223 0.048 0.000 2.558 6084 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 6084 L C 1.193 178.073 176.870 0.016 0.000 1.128 6084 L CA 0.573 55.431 54.840 0.030 0.000 0.868 6084 L CB 0.362 42.440 42.059 0.030 0.000 1.006 6084 L HN 0.420 nan 8.230 nan 0.000 0.454 6085 G N -0.126 108.685 108.800 0.018 0.000 2.227 6085 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.168 6085 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.168 6085 G C 0.010 174.889 174.900 -0.035 0.000 1.006 6085 G CA -0.678 44.421 45.100 -0.002 0.000 0.684 6085 G HN 0.088 nan 8.290 nan 0.000 0.489 6086 I N 1.374 121.907 120.570 -0.063 0.000 2.529 6086 I HA 0.447 4.617 4.170 -0.000 0.000 0.284 6086 I C 1.514 177.519 176.117 -0.187 0.000 1.082 6086 I CA -0.238 60.934 61.300 -0.213 0.000 1.406 6086 I CB 1.102 38.844 38.000 -0.429 0.000 1.405 6086 I HN 0.007 nan 8.210 nan 0.000 0.548 6087 R N 2.729 123.105 120.500 -0.207 0.000 2.394 6087 R HA 0.267 4.607 4.340 -0.000 0.000 0.220 6087 R C -0.274 175.979 176.300 -0.078 0.000 0.887 6087 R CA 0.224 56.285 56.100 -0.066 0.000 1.034 6087 R CB 0.319 30.605 30.300 -0.023 0.000 1.179 6087 R HN 0.500 nan 8.270 nan 0.000 0.561 6088 T N 1.404 115.795 114.554 -0.272 0.000 2.812 6088 T HA 0.580 4.930 4.350 -0.000 0.000 0.282 6088 T C -0.966 173.508 174.700 -0.376 0.000 0.990 6088 T CA -0.289 61.710 62.100 -0.168 0.000 0.960 6088 T CB 1.203 70.014 68.868 -0.094 0.000 0.948 6088 T HN -0.173 nan 8.240 nan 0.000 0.438 6089 F N 2.619 122.568 119.950 -0.003 0.000 2.493 6089 F HA 0.580 5.107 4.527 -0.000 0.000 0.329 6089 F C -0.240 175.558 175.800 -0.002 0.000 1.126 6089 F CA -1.101 56.898 58.000 -0.003 0.000 0.937 6089 F CB 1.420 40.414 39.000 -0.010 0.000 1.146 6089 F HN 0.214 nan 8.300 nan 0.000 0.442 6090 L N 4.236 125.546 121.223 0.145 0.000 2.342 6090 L HA 0.511 4.851 4.340 -0.000 0.000 0.276 6090 L C -0.098 176.826 176.870 0.089 0.000 0.997 6090 L CA -0.687 54.206 54.840 0.089 0.000 0.838 6090 L CB 1.730 43.812 42.059 0.038 0.000 1.224 6090 L HN 0.601 nan 8.230 nan 0.000 0.416 6091 R N 4.059 124.606 120.500 0.079 0.000 2.340 6091 R HA 0.462 4.802 4.340 -0.000 0.000 0.300 6091 R C -0.932 175.392 176.300 0.039 0.000 1.069 6091 R CA -0.412 55.724 56.100 0.061 0.000 0.984 6091 R CB 1.209 31.537 30.300 0.046 0.000 1.003 6091 R HN 0.498 nan 8.270 nan 0.000 0.459 6092 I N 4.309 124.900 120.570 0.034 0.000 2.418 6092 I HA 0.554 4.724 4.170 -0.000 0.000 0.287 6092 I C -0.742 175.387 176.117 0.020 0.000 1.008 6092 I CA -0.055 61.259 61.300 0.023 0.000 1.104 6092 I CB 1.236 39.245 38.000 0.015 0.000 1.264 6092 I HN 0.884 nan 8.210 nan 0.000 0.438 6093 G N 4.772 113.583 108.800 0.019 0.000 2.866 6093 G HA2 0.678 4.637 3.960 -0.000 0.000 0.289 6093 G HA3 0.678 4.637 3.960 -0.000 0.000 0.289 6093 G C -1.012 173.901 174.900 0.021 0.000 1.396 6093 G CA -0.407 44.704 45.100 0.019 0.000 0.848 6093 G HN 0.602 nan 8.290 nan 0.000 0.515 6094 T N -2.659 111.910 114.554 0.025 0.000 2.925 6094 T HA 0.739 5.089 4.350 -0.000 0.000 0.285 6094 T C -0.365 174.362 174.700 0.045 0.000 1.021 6094 T CA -0.664 61.456 62.100 0.032 0.000 1.042 6094 T CB 2.037 70.924 68.868 0.031 0.000 1.037 6094 T HN 0.816 nan 8.240 nan 0.000 0.481 6095 T N -0.094 114.487 114.554 0.044 0.000 2.894 6095 T HA 0.651 5.001 4.350 -0.000 0.000 0.309 6095 T C -0.430 174.294 174.700 0.040 0.000 1.208 6095 T CA -0.494 61.633 62.100 0.045 0.000 1.016 6095 T CB 1.338 70.221 68.868 0.025 0.000 1.192 6095 T HN 1.129 nan 8.240 nan 0.000 0.491 6096 G N 1.952 110.780 108.800 0.045 0.000 2.377 6096 G HA2 0.627 4.587 3.960 -0.000 0.000 0.316 6096 G HA3 0.627 4.587 3.960 -0.000 0.000 0.316 6096 G C 0.084 174.994 174.900 0.017 0.000 1.115 6096 G CA -0.239 44.882 45.100 0.034 0.000 0.952 6096 G HN 0.989 nan 8.290 nan 0.000 0.441 6097 A N 2.406 125.213 122.820 -0.022 0.000 2.425 6097 A HA 0.521 4.841 4.320 -0.000 0.000 0.249 6097 A C 1.068 178.608 177.584 -0.072 0.000 1.084 6097 A CA -0.423 51.569 52.037 -0.075 0.000 0.781 6097 A CB 0.208 19.144 19.000 -0.106 0.000 1.019 6097 A HN 1.273 nan 8.150 nan 0.000 0.490 6098 I N -1.884 118.615 120.570 -0.118 0.000 4.009 6098 I HA 0.264 4.434 4.170 -0.000 0.000 0.331 6098 I C -0.215 175.851 176.117 -0.084 0.000 1.462 6098 I CA -0.344 60.905 61.300 -0.086 0.000 1.117 6098 I CB 0.149 38.072 38.000 -0.128 0.000 1.091 6098 I HN 0.341 nan 8.210 nan 0.000 0.410 6099 Q N 1.749 121.461 119.800 -0.146 0.000 2.309 6099 Q HA 0.418 4.758 4.340 -0.000 0.000 0.264 6099 Q C -2.015 173.878 176.000 -0.179 0.000 1.008 6099 Q CA -1.916 53.790 55.803 -0.161 0.000 0.853 6099 Q CB 2.091 30.661 28.738 -0.280 0.000 1.314 6099 Q HN -0.044 nan 8.270 nan 0.000 0.448 6100 P HA -0.147 nan 4.420 nan 0.000 0.218 6100 P C 0.896 178.185 177.300 -0.018 0.000 1.149 6100 P CA 1.438 64.532 63.100 -0.009 0.000 0.817 6100 P CB 0.118 31.851 31.700 0.054 0.000 0.785 6101 H N -1.540 117.493 119.070 -0.063 0.000 2.544 6101 H HA 0.163 4.719 4.556 -0.000 0.000 0.269 6101 H C 0.666 175.948 175.328 -0.077 0.000 0.970 6101 H CA -0.087 55.927 56.048 -0.056 0.000 1.219 6101 H CB -0.806 28.926 29.762 -0.050 0.000 1.421 6101 H HN 0.121 nan 8.280 nan 0.000 0.555 6102 I N 3.064 123.309 120.570 -0.542 0.000 2.452 6102 I HA -0.041 4.128 4.170 -0.000 0.000 0.287 6102 I C 0.689 176.726 176.117 -0.133 0.000 1.079 6102 I CA 0.105 61.175 61.300 -0.384 0.000 1.387 6102 I CB 0.396 38.097 38.000 -0.498 0.000 1.404 6102 I HN 0.271 nan 8.210 nan 0.000 0.522 6103 N N 5.752 124.435 118.700 -0.027 0.000 2.498 6103 N HA 0.293 5.033 4.740 -0.000 0.000 0.287 6103 N C -0.334 175.172 175.510 -0.007 0.000 1.097 6103 N CA -0.758 52.288 53.050 -0.007 0.000 0.973 6103 N CB 1.738 40.235 38.487 0.016 0.000 1.153 6103 N HN 0.402 nan 8.380 nan 0.000 0.472 6104 V N 1.506 121.415 119.914 -0.007 0.000 2.694 6104 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 6104 V C 1.304 177.396 176.094 -0.003 0.000 1.054 6104 V CA 0.684 62.983 62.300 -0.001 0.000 1.161 6104 V CB 0.248 32.074 31.823 0.005 0.000 0.916 6104 V HN 1.057 nan 8.190 nan 0.000 0.490 6105 G N 2.793 111.593 108.800 -0.001 0.000 2.279 6105 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.223 6105 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.223 6105 G C -0.045 174.833 174.900 -0.037 0.000 1.015 6105 G CA 0.141 45.234 45.100 -0.012 0.000 0.621 6105 G HN 0.908 nan 8.290 nan 0.000 0.506 6106 D N 0.818 121.206 120.400 -0.021 0.000 2.400 6106 D HA 0.420 5.060 4.640 -0.000 0.000 0.238 6106 D C 0.989 177.295 176.300 0.010 0.000 1.157 6106 D CA 0.738 54.731 54.000 -0.011 0.000 0.889 6106 D CB 1.670 42.519 40.800 0.081 0.000 1.199 6106 D HN 1.034 nan 8.370 nan 0.000 0.436 6107 V N -0.509 119.404 119.914 -0.001 0.000 2.427 6107 V HA 0.554 4.674 4.120 -0.000 0.000 0.286 6107 V C -0.417 175.697 176.094 0.033 0.000 1.034 6107 V CA -0.768 61.541 62.300 0.017 0.000 0.893 6107 V CB 1.008 32.839 31.823 0.015 0.000 0.982 6107 V HN 0.316 nan 8.190 nan 0.000 0.452 6108 L N 5.580 126.825 121.223 0.037 0.000 2.305 6108 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 6108 L C -0.527 176.357 176.870 0.024 0.000 1.013 6108 L CA -0.790 54.077 54.840 0.045 0.000 0.819 6108 L CB 1.926 44.005 42.059 0.034 0.000 1.227 6108 L HN 0.520 nan 8.230 nan 0.000 0.417 6109 V N 1.790 121.717 119.914 0.022 0.000 2.407 6109 V HA 0.298 4.418 4.120 -0.000 0.000 0.278 6109 V C 0.365 176.465 176.094 0.009 0.000 1.037 6109 V CA -0.386 61.919 62.300 0.008 0.000 0.900 6109 V CB 1.519 33.340 31.823 -0.003 0.000 0.983 6109 V HN 0.717 nan 8.190 nan 0.000 0.459 6110 T N 3.522 118.078 114.554 0.004 0.000 2.733 6110 T HA 0.207 4.557 4.350 -0.000 0.000 0.294 6110 T C 1.342 176.045 174.700 0.005 0.000 0.956 6110 T CA 0.158 62.258 62.100 0.000 0.000 0.987 6110 T CB 1.182 70.047 68.868 -0.005 0.000 0.920 6110 T HN 0.981 nan 8.240 nan 0.000 0.470 6111 T N 1.210 115.769 114.554 0.008 0.000 2.809 6111 T HA 0.383 4.733 4.350 -0.000 0.000 0.260 6111 T C 0.817 175.527 174.700 0.016 0.000 1.039 6111 T CA 0.381 62.492 62.100 0.018 0.000 1.141 6111 T CB 0.107 68.990 68.868 0.026 0.000 0.869 6111 T HN 0.710 nan 8.240 nan 0.000 0.437 6112 A N -0.028 122.793 122.820 0.002 0.000 2.609 6112 A HA 0.707 5.027 4.320 -0.000 0.000 0.291 6112 A C -0.977 176.592 177.584 -0.024 0.000 1.096 6112 A CA -0.851 51.184 52.037 -0.004 0.000 0.684 6112 A CB 1.570 20.566 19.000 -0.006 0.000 1.282 6112 A HN 0.245 nan 8.150 nan 0.000 0.412 6113 S N -0.206 115.479 115.700 -0.026 0.000 2.513 6113 S HA 0.543 5.013 4.470 -0.000 0.000 0.299 6113 S C -0.448 174.105 174.600 -0.078 0.000 1.087 6113 S CA -0.535 57.632 58.200 -0.055 0.000 1.012 6113 S CB 1.650 64.829 63.200 -0.035 0.000 1.044 6113 S HN 0.827 nan 8.310 nan 0.000 0.485 6114 V N 3.736 123.554 119.914 -0.161 0.000 2.421 6114 V HA 0.130 4.250 4.120 -0.000 0.000 0.271 6114 V C 0.727 176.737 176.094 -0.140 0.000 1.031 6114 V CA 0.031 62.195 62.300 -0.227 0.000 1.032 6114 V CB -0.500 30.995 31.823 -0.547 0.000 1.009 6114 V HN 0.697 nan 8.190 nan 0.000 0.477 6115 R N 5.356 125.825 120.500 -0.051 0.000 2.853 6115 R HA 0.225 4.565 4.340 -0.000 0.000 0.238 6115 R C 0.205 176.532 176.300 0.045 0.000 1.538 6115 R CA -0.030 56.079 56.100 0.015 0.000 1.166 6115 R CB -0.111 30.224 30.300 0.058 0.000 1.201 6115 R HN 0.683 nan 8.270 nan 0.000 0.606 6116 L N 2.020 123.272 121.223 0.048 0.000 2.851 6116 L HA 0.113 4.453 4.340 -0.000 0.000 0.237 6116 L C 0.484 177.436 176.870 0.136 0.000 1.257 6116 L CA -0.213 54.717 54.840 0.150 0.000 1.061 6116 L CB -0.687 41.498 42.059 0.209 0.000 1.372 6116 L HN 0.527 nan 8.230 nan 0.000 0.493 6117 D N -1.281 119.176 120.400 0.096 0.000 2.650 6117 D HA 0.320 4.960 4.640 -0.000 0.000 0.255 6117 D C 0.697 177.050 176.300 0.088 0.000 1.135 6117 D CA -0.197 53.849 54.000 0.077 0.000 1.099 6117 D CB 1.977 42.808 40.800 0.052 0.000 1.273 6117 D HN -0.073 nan 8.370 nan 0.000 0.628 6118 G N -1.374 107.463 108.800 0.062 0.000 2.692 6118 G HA2 0.263 4.223 3.960 -0.000 0.000 0.201 6118 G HA3 0.263 4.223 3.960 -0.000 0.000 0.201 6118 G C 1.240 176.154 174.900 0.024 0.000 1.063 6118 G CA 0.646 45.786 45.100 0.067 0.000 0.790 6118 G HN 0.604 nan 8.290 nan 0.000 0.599 6119 A N 1.787 124.576 122.820 -0.052 0.000 1.969 6119 A HA 0.036 4.355 4.320 -0.000 0.000 0.218 6119 A C 2.659 180.338 177.584 0.159 0.000 1.169 6119 A CA 2.321 54.287 52.037 -0.118 0.000 0.635 6119 A CB -0.670 18.315 19.000 -0.025 0.000 0.810 6119 A HN 0.761 nan 8.150 nan 0.000 0.445 6120 S N 0.353 116.168 115.700 0.192 0.000 2.400 6120 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 6120 S C 1.710 176.460 174.600 0.250 0.000 1.025 6120 S CA 1.582 59.933 58.200 0.253 0.000 0.993 6120 S CB -0.775 62.516 63.200 0.152 0.000 0.808 6120 S HN 0.451 nan 8.310 nan 0.000 0.478 6121 L N 0.699 122.048 121.223 0.210 0.000 2.456 6121 L HA 0.020 4.360 4.340 -0.000 0.000 0.224 6121 L C 2.294 179.226 176.870 0.103 0.000 1.148 6121 L CA 0.998 55.935 54.840 0.162 0.000 0.825 6121 L CB -0.634 41.517 42.059 0.154 0.000 0.937 6121 L HN 0.500 nan 8.230 nan 0.000 0.450 6122 H N -1.836 117.148 119.070 -0.144 0.000 2.539 6122 H HA 0.046 4.601 4.556 -0.000 0.000 0.267 6122 H C 1.182 176.116 175.328 -0.656 0.000 0.982 6122 H CA 0.581 56.387 56.048 -0.403 0.000 1.146 6122 H CB 0.455 29.898 29.762 -0.532 0.000 1.382 6122 H HN 0.362 nan 8.280 nan 0.000 0.577 6123 F N -0.350 119.618 119.950 0.031 0.000 2.747 6123 F HA 0.444 4.971 4.527 -0.000 0.000 0.305 6123 F C 0.791 176.500 175.800 -0.153 0.000 1.065 6123 F CA -0.056 57.904 58.000 -0.066 0.000 1.230 6123 F CB 1.129 40.075 39.000 -0.090 0.000 1.027 6123 F HN -0.035 nan 8.300 nan 0.000 0.607 6124 A N 0.461 123.298 122.820 0.028 0.000 2.594 6124 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 6124 A C -2.872 174.732 177.584 0.033 0.000 1.061 6124 A CA -1.337 50.654 52.037 -0.077 0.000 0.689 6124 A CB 0.693 19.467 19.000 -0.377 0.000 1.280 6124 A HN -0.181 nan 8.150 nan 0.000 0.406 6125 P HA 0.197 nan 4.420 nan 0.000 0.274 6125 P C 0.826 178.203 177.300 0.129 0.000 1.246 6125 P CA -0.315 62.832 63.100 0.078 0.000 0.795 6125 P CB 0.503 32.243 31.700 0.066 0.000 1.006 6126 M N 1.034 120.698 119.600 0.106 0.000 2.346 6126 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 6126 M C 1.384 177.757 176.300 0.122 0.000 1.064 6126 M CA 1.872 57.240 55.300 0.113 0.000 1.083 6126 M CB -1.092 31.559 32.600 0.086 0.000 1.399 6126 M HN 0.299 nan 8.290 nan 0.000 0.435 6127 E N -0.780 119.493 120.200 0.121 0.000 2.153 6127 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 6127 E C 0.302 176.974 176.600 0.119 0.000 0.988 6127 E CA 0.649 57.110 56.400 0.102 0.000 0.811 6127 E CB -0.440 29.314 29.700 0.089 0.000 0.746 6127 E HN 0.489 nan 8.360 nan 0.000 0.466 6128 F N 2.580 122.551 119.950 0.034 0.000 2.538 6128 F HA 0.126 4.653 4.527 -0.000 0.000 0.371 6128 F C -1.963 173.856 175.800 0.031 0.000 1.087 6128 F CA -2.655 55.365 58.000 0.034 0.000 1.250 6128 F CB 0.541 39.568 39.000 0.044 0.000 1.110 6128 F HN -0.109 nan 8.300 nan 0.000 0.570 6129 P HA 0.173 nan 4.420 nan 0.000 0.281 6129 P C -1.235 176.098 177.300 0.055 0.000 1.252 6129 P CA -0.454 62.584 63.100 -0.104 0.000 0.778 6129 P CB 1.275 32.850 31.700 -0.207 0.000 0.895 6130 A N 3.928 126.806 122.820 0.097 0.000 3.048 6130 A HA 0.255 4.574 4.320 -0.000 0.000 0.264 6130 A C 0.299 177.918 177.584 0.059 0.000 1.796 6130 A CA -0.270 51.833 52.037 0.110 0.000 1.445 6130 A CB -1.025 18.017 19.000 0.070 0.000 1.074 6130 A HN 0.470 nan 8.150 nan 0.000 0.621 6131 V N 1.705 121.656 119.914 0.063 0.000 2.532 6131 V HA 0.708 4.828 4.120 -0.000 0.000 0.295 6131 V C 0.616 176.745 176.094 0.058 0.000 1.041 6131 V CA -0.226 62.095 62.300 0.035 0.000 0.926 6131 V CB 1.431 33.250 31.823 -0.006 0.000 0.992 6131 V HN 0.895 nan 8.190 nan 0.000 0.457 6132 A N 4.204 127.053 122.820 0.049 0.000 2.351 6132 A HA 0.399 4.719 4.320 -0.000 0.000 0.257 6132 A C 0.067 177.698 177.584 0.079 0.000 1.087 6132 A CA -0.222 51.848 52.037 0.055 0.000 0.798 6132 A CB 0.170 19.192 19.000 0.037 0.000 1.033 6132 A HN 1.038 nan 8.150 nan 0.000 0.488 6133 D N 0.065 120.514 120.400 0.082 0.000 2.443 6133 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 6133 D C 0.674 177.047 176.300 0.121 0.000 1.136 6133 D CA 0.115 54.179 54.000 0.107 0.000 0.879 6133 D CB 0.166 41.021 40.800 0.091 0.000 1.195 6133 D HN 0.389 nan 8.370 nan 0.000 0.443 6134 F N 3.778 123.739 119.950 0.019 0.000 2.113 6134 F HA -0.048 4.479 4.527 -0.000 0.000 0.297 6134 F C 2.048 177.856 175.800 0.013 0.000 1.103 6134 F CA 1.620 59.628 58.000 0.013 0.000 1.248 6134 F CB -0.412 38.593 39.000 0.009 0.000 0.999 6134 F HN 0.487 nan 8.300 nan 0.000 0.475 6135 A N -0.447 122.391 122.820 0.030 0.000 1.908 6135 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 6135 A C 2.336 179.850 177.584 -0.118 0.000 1.181 6135 A CA 1.856 53.851 52.037 -0.070 0.000 0.627 6135 A CB -1.676 17.351 19.000 0.045 0.000 0.818 6135 A HN 0.577 nan 8.150 nan 0.000 0.445 6136 C N -1.112 118.154 119.300 -0.056 0.000 2.453 6136 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 6136 C C 3.044 177.986 174.990 -0.081 0.000 1.262 6136 C CA 1.466 60.458 59.018 -0.044 0.000 1.718 6136 C CB -1.517 26.225 27.740 0.005 0.000 2.031 6136 C HN 0.655 nan 8.230 nan 0.000 0.480 6137 T N 0.705 115.194 114.554 -0.109 0.000 2.708 6137 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 6137 T C 1.802 176.386 174.700 -0.194 0.000 1.037 6137 T CA 2.140 64.166 62.100 -0.123 0.000 1.146 6137 T CB -0.640 68.169 68.868 -0.100 0.000 0.865 6137 T HN 0.577 nan 8.240 nan 0.000 0.435 6138 T N 2.242 116.583 114.554 -0.356 0.000 2.635 6138 T HA -0.114 4.235 4.350 -0.000 0.000 0.267 6138 T C 2.424 177.008 174.700 -0.193 0.000 1.040 6138 T CA 1.371 63.252 62.100 -0.365 0.000 1.156 6138 T CB -0.698 67.814 68.868 -0.594 0.000 0.863 6138 T HN 0.456 nan 8.240 nan 0.000 0.430 6139 A N 0.858 123.586 122.820 -0.154 0.000 1.940 6139 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 6139 A C 2.306 179.850 177.584 -0.068 0.000 1.176 6139 A CA 1.329 53.312 52.037 -0.089 0.000 0.631 6139 A CB -0.817 18.143 19.000 -0.066 0.000 0.814 6139 A HN 0.490 nan 8.150 nan 0.000 0.446 6140 L N -0.917 120.265 121.223 -0.069 0.000 2.109 6140 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 6140 L C 2.486 179.329 176.870 -0.045 0.000 1.086 6140 L CA 0.687 55.500 54.840 -0.046 0.000 0.760 6140 L CB -0.317 41.721 42.059 -0.036 0.000 0.910 6140 L HN 0.241 nan 8.230 nan 0.000 0.437 6141 V N -0.303 119.573 119.914 -0.063 0.000 2.307 6141 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 6141 V C 2.318 178.383 176.094 -0.048 0.000 1.045 6141 V CA 1.724 63.991 62.300 -0.055 0.000 1.024 6141 V CB -0.423 31.359 31.823 -0.067 0.000 0.651 6141 V HN 0.431 nan 8.190 nan 0.000 0.449 6142 E N 0.254 120.420 120.200 -0.055 0.000 2.110 6142 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 6142 E C 2.317 178.899 176.600 -0.030 0.000 0.988 6142 E CA 1.247 57.622 56.400 -0.042 0.000 0.804 6142 E CB -0.306 29.366 29.700 -0.047 0.000 0.745 6142 E HN 0.597 nan 8.360 nan 0.000 0.458 6143 A N 1.493 124.295 122.820 -0.030 0.000 1.902 6143 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 6143 A C 2.393 179.970 177.584 -0.011 0.000 1.181 6143 A CA 1.670 53.694 52.037 -0.020 0.000 0.623 6143 A CB -0.589 18.398 19.000 -0.021 0.000 0.818 6143 A HN 0.295 nan 8.150 nan 0.000 0.443 6144 A N -0.742 122.070 122.820 -0.013 0.000 1.972 6144 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 6144 A C 2.167 179.747 177.584 -0.008 0.000 1.169 6144 A CA 1.871 53.905 52.037 -0.005 0.000 0.635 6144 A CB -0.340 18.650 19.000 -0.017 0.000 0.810 6144 A HN 0.348 nan 8.150 nan 0.000 0.446 6145 K N 0.661 121.050 120.400 -0.017 0.000 2.062 6145 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 6145 K C 2.092 178.687 176.600 -0.008 0.000 1.051 6145 K CA 1.634 57.911 56.287 -0.017 0.000 0.941 6145 K CB -0.398 32.090 32.500 -0.020 0.000 0.719 6145 K HN 0.564 nan 8.250 nan 0.000 0.440 6146 S N 0.239 115.934 115.700 -0.008 0.000 2.660 6146 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 6146 S C 1.457 176.057 174.600 -0.000 0.000 0.966 6146 S CA 0.282 58.478 58.200 -0.006 0.000 0.940 6146 S CB -0.082 63.112 63.200 -0.009 0.000 0.773 6146 S HN 0.173 nan 8.310 nan 0.000 0.535 6147 I N 0.181 120.756 120.570 0.009 0.000 4.312 6147 I HA 0.313 4.483 4.170 -0.000 0.000 0.324 6147 I C 1.724 177.869 176.117 0.046 0.000 1.298 6147 I CA 0.802 62.117 61.300 0.025 0.000 1.231 6147 I CB -0.794 37.227 38.000 0.035 0.000 1.152 6147 I HN 0.488 nan 8.210 nan 0.000 0.421 6148 G N 2.363 111.180 108.800 0.028 0.000 2.160 6148 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 6148 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 6148 G C 0.520 175.428 174.900 0.013 0.000 1.022 6148 G CA 0.355 45.465 45.100 0.017 0.000 0.741 6148 G HN 0.638 nan 8.290 nan 0.000 0.508 6149 A N -0.002 122.829 122.820 0.020 0.000 2.340 6149 A HA 0.716 5.035 4.320 -0.000 0.000 0.268 6149 A C 0.906 178.427 177.584 -0.106 0.000 1.100 6149 A CA 0.678 52.685 52.037 -0.049 0.000 0.803 6149 A CB 0.413 19.433 19.000 0.032 0.000 1.043 6149 A HN 0.897 nan 8.150 nan 0.000 0.488 6150 T N 3.013 117.472 114.554 -0.158 0.000 2.765 6150 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 6150 T C 0.090 174.650 174.700 -0.233 0.000 0.946 6150 T CA 0.755 62.747 62.100 -0.180 0.000 1.185 6150 T CB -0.452 68.338 68.868 -0.130 0.000 0.887 6150 T HN 0.603 nan 8.240 nan 0.000 0.532 6151 T N 4.836 119.200 114.554 -0.317 0.000 2.812 6151 T HA 0.367 4.717 4.350 -0.000 0.000 0.282 6151 T C -0.543 173.898 174.700 -0.431 0.000 0.990 6151 T CA -0.804 61.139 62.100 -0.262 0.000 0.960 6151 T CB 0.902 69.693 68.868 -0.127 0.000 0.948 6151 T HN 0.541 nan 8.240 nan 0.000 0.438 6152 H N 0.973 120.042 119.070 -0.002 0.000 2.524 6152 H HA 0.678 5.233 4.556 -0.000 0.000 0.353 6152 H C -0.906 174.423 175.328 0.001 0.000 1.136 6152 H CA -0.650 55.404 56.048 0.010 0.000 1.193 6152 H CB 2.300 32.069 29.762 0.011 0.000 1.558 6152 H HN 0.422 nan 8.280 nan 0.000 0.515 6153 V N 2.328 122.313 119.914 0.118 0.000 2.525 6153 V HA 0.797 4.917 4.120 -0.000 0.000 0.299 6153 V C -0.335 175.793 176.094 0.056 0.000 1.034 6153 V CA 0.446 62.782 62.300 0.060 0.000 0.863 6153 V CB 1.039 32.879 31.823 0.027 0.000 0.999 6153 V HN 1.082 nan 8.190 nan 0.000 0.423 6154 G N 4.558 113.380 108.800 0.036 0.000 2.441 6154 G HA2 0.413 4.373 3.960 -0.000 0.000 0.225 6154 G HA3 0.413 4.373 3.960 -0.000 0.000 0.225 6154 G C -1.240 173.660 174.900 0.000 0.000 1.200 6154 G CA 0.104 45.218 45.100 0.023 0.000 0.947 6154 G HN 1.062 nan 8.290 nan 0.000 0.484 6155 V N 0.867 120.773 119.914 -0.014 0.000 2.607 6155 V HA 0.655 4.775 4.120 -0.000 0.000 0.289 6155 V C 0.201 176.249 176.094 -0.077 0.000 1.053 6155 V CA -0.066 62.209 62.300 -0.041 0.000 0.996 6155 V CB 1.330 33.129 31.823 -0.040 0.000 0.995 6155 V HN 0.747 nan 8.190 nan 0.000 0.476 6156 T N 3.242 117.737 114.554 -0.099 0.000 2.841 6156 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 6156 T C -0.149 174.435 174.700 -0.192 0.000 1.000 6156 T CA -0.301 61.722 62.100 -0.129 0.000 0.977 6156 T CB 1.650 70.474 68.868 -0.074 0.000 0.979 6156 T HN 0.916 nan 8.240 nan 0.000 0.446 6157 A N 2.310 124.967 122.820 -0.271 0.000 2.279 6157 A HA 0.604 4.924 4.320 -0.000 0.000 0.306 6157 A C 0.418 177.957 177.584 -0.074 0.000 1.300 6157 A CA -0.445 51.398 52.037 -0.324 0.000 0.925 6157 A CB 0.269 18.911 19.000 -0.597 0.000 1.152 6157 A HN 0.632 nan 8.150 nan 0.000 0.544 6158 S N 2.456 118.115 115.700 -0.069 0.000 2.423 6158 S HA 0.468 4.938 4.470 -0.000 0.000 0.317 6158 S C 0.086 174.693 174.600 0.012 0.000 1.065 6158 S CA -0.313 57.883 58.200 -0.006 0.000 1.111 6158 S CB 0.189 63.380 63.200 -0.015 0.000 0.968 6158 S HN 0.915 nan 8.310 nan 0.000 0.474 6159 S N 3.247 118.954 115.700 0.012 0.000 2.525 6159 S HA 0.342 4.812 4.470 -0.000 0.000 0.290 6159 S C 0.478 175.056 174.600 -0.035 0.000 1.152 6159 S CA -0.597 57.583 58.200 -0.035 0.000 1.072 6159 S CB 1.115 64.216 63.200 -0.166 0.000 1.027 6159 S HN 0.719 nan 8.310 nan 0.000 0.500 6160 D N 1.872 122.258 120.400 -0.024 0.000 2.349 6160 D HA 0.137 4.776 4.640 -0.000 0.000 0.224 6160 D C 0.676 176.960 176.300 -0.026 0.000 1.029 6160 D CA 0.661 54.656 54.000 -0.008 0.000 0.879 6160 D CB 0.224 41.039 40.800 0.025 0.000 0.906 6160 D HN 0.722 nan 8.370 nan 0.000 0.528 6161 T N -4.273 110.231 114.554 -0.084 0.000 2.901 6161 T HA 0.309 4.659 4.350 -0.000 0.000 0.293 6161 T C 0.441 175.087 174.700 -0.090 0.000 1.084 6161 T CA -0.852 61.214 62.100 -0.057 0.000 1.008 6161 T CB 1.090 69.913 68.868 -0.076 0.000 1.170 6161 T HN -0.118 nan 8.240 nan 0.000 0.509 6162 F N -0.660 119.169 119.950 -0.201 0.000 2.530 6162 F HA 0.257 4.784 4.527 -0.000 0.000 0.292 6162 F C 1.057 176.534 175.800 -0.539 0.000 1.109 6162 F CA 0.486 58.258 58.000 -0.379 0.000 1.450 6162 F CB 0.112 38.854 39.000 -0.430 0.000 1.114 6162 F HN 0.657 nan 8.300 nan 0.000 0.560 6163 Y N 0.673 120.901 120.300 -0.120 0.000 2.344 6163 Y HA 0.156 4.706 4.550 -0.000 0.000 0.261 6163 Y C -0.553 175.154 175.900 -0.322 0.000 1.080 6163 Y CA 0.410 58.394 58.100 -0.193 0.000 1.151 6163 Y CB -1.863 36.574 38.460 -0.037 0.000 1.059 6163 Y HN -0.217 nan 8.280 nan 0.000 0.490 6164 P HA -0.071 nan 4.420 nan 0.000 0.217 6164 P C 1.555 178.546 177.300 -0.514 0.000 1.151 6164 P CA 2.132 65.085 63.100 -0.245 0.000 0.828 6164 P CB -0.222 31.402 31.700 -0.127 0.000 0.788 6165 G N 0.143 108.522 108.800 -0.703 0.000 2.448 6165 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 6165 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 6165 G C 1.373 175.763 174.900 -0.851 0.000 1.127 6165 G CA 0.385 44.766 45.100 -1.199 0.000 0.766 6165 G HN 0.377 nan 8.290 nan 0.000 0.552 6166 Q N -0.525 118.796 119.800 -0.799 0.000 2.204 6166 Q HA 0.221 4.561 4.340 -0.000 0.000 0.209 6166 Q C -0.028 175.596 176.000 -0.627 0.000 0.861 6166 Q CA -0.275 54.827 55.803 -1.169 0.000 0.971 6166 Q CB 0.417 28.349 28.738 -1.343 0.000 1.095 6166 Q HN 0.574 nan 8.270 nan 0.000 0.486 6167 E N 1.645 121.603 120.200 -0.404 0.000 2.228 6167 E HA -0.240 4.109 4.350 -0.000 0.000 0.213 6167 E C -0.938 175.431 176.600 -0.385 0.000 1.282 6167 E CA 0.132 56.337 56.400 -0.326 0.000 0.707 6167 E CB -0.327 29.328 29.700 -0.075 0.000 1.150 6167 E HN 0.334 nan 8.360 nan 0.000 0.362 6168 R N 0.270 120.550 120.500 -0.367 0.000 2.297 6168 R HA 0.212 4.551 4.340 -0.000 0.000 0.308 6168 R C 0.334 176.496 176.300 -0.230 0.000 1.029 6168 R CA -0.162 55.822 56.100 -0.193 0.000 0.929 6168 R CB 0.531 30.797 30.300 -0.056 0.000 1.046 6168 R HN 0.247 nan 8.270 nan 0.000 0.461 6169 Y N -0.283 120.051 120.300 0.057 0.000 2.481 6169 Y HA 0.060 4.609 4.550 -0.000 0.000 0.258 6169 Y C 0.579 176.506 175.900 0.046 0.000 1.103 6169 Y CA -0.074 58.052 58.100 0.044 0.000 1.287 6169 Y CB 0.789 39.266 38.460 0.028 0.000 1.108 6169 Y HN 0.468 nan 8.280 nan 0.000 0.529 6170 D N 2.183 122.702 120.400 0.198 0.000 2.671 6170 D HA 0.036 4.676 4.640 -0.000 0.000 0.228 6170 D C 0.206 176.565 176.300 0.098 0.000 1.102 6170 D CA 0.516 54.601 54.000 0.142 0.000 1.044 6170 D CB -0.025 40.862 40.800 0.146 0.000 1.113 6170 D HN 0.293 nan 8.370 nan 0.000 0.480 6171 T N -3.263 111.323 114.554 0.054 0.000 2.864 6171 T HA 0.144 4.494 4.350 -0.000 0.000 0.289 6171 T C 1.078 175.787 174.700 0.016 0.000 1.082 6171 T CA -0.864 61.220 62.100 -0.027 0.000 1.009 6171 T CB 1.222 70.048 68.868 -0.069 0.000 1.234 6171 T HN 0.156 nan 8.240 nan 0.000 0.526 6172 Y N 1.440 121.677 120.300 -0.105 0.000 2.097 6172 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 6172 Y C 2.771 178.652 175.900 -0.031 0.000 1.152 6172 Y CA 2.717 60.777 58.100 -0.066 0.000 1.136 6172 Y CB -0.337 38.074 38.460 -0.081 0.000 0.975 6172 Y HN 0.754 nan 8.280 nan 0.000 0.498 6173 S N -0.992 114.585 115.700 -0.205 0.000 2.425 6173 S HA 0.130 4.600 4.470 -0.000 0.000 0.225 6173 S C 1.864 176.397 174.600 -0.113 0.000 1.024 6173 S CA 0.761 58.813 58.200 -0.245 0.000 0.951 6173 S CB -0.454 62.699 63.200 -0.079 0.000 0.796 6173 S HN 1.064 nan 8.310 nan 0.000 0.498 6174 G N 1.851 110.637 108.800 -0.024 0.000 2.162 6174 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.260 6174 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.260 6174 G C 0.043 175.036 174.900 0.155 0.000 0.976 6174 G CA 0.407 45.546 45.100 0.066 0.000 0.655 6174 G HN 1.027 nan 8.290 nan 0.000 0.533 6175 R N -1.396 119.163 120.500 0.099 0.000 2.873 6175 R HA 0.853 5.192 4.340 -0.000 0.000 0.264 6175 R C -1.079 175.265 176.300 0.074 0.000 1.026 6175 R CA -1.021 55.159 56.100 0.133 0.000 1.002 6175 R CB 2.176 32.521 30.300 0.076 0.000 1.174 6175 R HN 0.294 nan 8.270 nan 0.000 0.488 6176 V N 2.215 122.190 119.914 0.102 0.000 2.577 6176 V HA 0.245 4.365 4.120 -0.000 0.000 0.303 6176 V C -0.133 176.025 176.094 0.107 0.000 1.042 6176 V CA -1.038 61.283 62.300 0.035 0.000 0.872 6176 V CB 1.839 33.605 31.823 -0.095 0.000 0.998 6176 V HN 0.696 nan 8.190 nan 0.000 0.423 6177 V N 5.910 125.900 119.914 0.126 0.000 3.061 6177 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 6177 V C 1.867 178.034 176.094 0.122 0.000 1.118 6177 V CA 0.851 63.229 62.300 0.131 0.000 1.231 6177 V CB 0.895 32.813 31.823 0.159 0.000 0.956 6177 V HN 0.980 nan 8.190 nan 0.000 0.499 6178 R N 3.397 123.938 120.500 0.068 0.000 2.112 6178 R HA -0.228 4.111 4.340 -0.000 0.000 0.242 6178 R C 2.322 178.613 176.300 -0.015 0.000 1.137 6178 R CA 2.580 58.699 56.100 0.030 0.000 0.944 6178 R CB -0.387 29.918 30.300 0.009 0.000 0.857 6178 R HN 0.830 nan 8.270 nan 0.000 0.435 6179 R N -0.726 119.727 120.500 -0.079 0.000 2.133 6179 R HA -0.190 4.150 4.340 -0.000 0.000 0.247 6179 R C 1.383 177.445 176.300 -0.397 0.000 1.151 6179 R CA 2.183 58.110 56.100 -0.289 0.000 0.971 6179 R CB -0.203 29.822 30.300 -0.458 0.000 0.866 6179 R HN 0.313 nan 8.270 nan 0.000 0.447 6180 F N 0.050 120.023 119.950 0.037 0.000 2.678 6180 F HA 0.269 4.796 4.527 -0.000 0.000 0.305 6180 F C 0.357 176.165 175.800 0.014 0.000 1.090 6180 F CA -0.406 57.616 58.000 0.037 0.000 1.272 6180 F CB 0.467 39.489 39.000 0.037 0.000 1.060 6180 F HN -0.304 nan 8.300 nan 0.000 0.576 6181 K N 1.000 121.488 120.400 0.146 0.000 2.436 6181 K HA 0.197 4.517 4.320 -0.000 0.000 0.282 6181 K C 1.160 177.805 176.600 0.076 0.000 1.044 6181 K CA 0.805 57.174 56.287 0.137 0.000 1.028 6181 K CB 0.217 32.783 32.500 0.110 0.000 0.919 6181 K HN 0.389 nan 8.250 nan 0.000 0.474 6182 G N 2.182 111.044 108.800 0.104 0.000 2.168 6182 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 6182 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 6182 G C 0.825 175.685 174.900 -0.066 0.000 0.997 6182 G CA 0.865 45.983 45.100 0.030 0.000 0.708 6182 G HN 0.688 nan 8.290 nan 0.000 0.520 6183 S N -1.263 114.406 115.700 -0.052 0.000 2.436 6183 S HA 0.190 4.660 4.470 -0.000 0.000 0.228 6183 S C 2.174 176.558 174.600 -0.361 0.000 1.014 6183 S CA 1.180 59.209 58.200 -0.285 0.000 0.950 6183 S CB -0.132 63.065 63.200 -0.005 0.000 0.784 6183 S HN 0.377 nan 8.310 nan 0.000 0.504 6184 M N 2.439 122.059 119.600 0.035 0.000 2.067 6184 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 6184 M C 2.575 178.898 176.300 0.039 0.000 1.069 6184 M CA 2.163 57.573 55.300 0.183 0.000 1.117 6184 M CB -0.608 32.138 32.600 0.243 0.000 1.334 6184 M HN 0.671 nan 8.290 nan 0.000 0.407 6185 E N -0.576 119.620 120.200 -0.007 0.000 2.204 6185 E HA -0.260 4.089 4.350 -0.000 0.000 0.195 6185 E C 1.623 178.175 176.600 -0.079 0.000 0.990 6185 E CA 1.426 57.812 56.400 -0.024 0.000 0.821 6185 E CB -0.486 29.205 29.700 -0.015 0.000 0.750 6185 E HN 0.658 nan 8.360 nan 0.000 0.477 6186 E N 0.616 120.689 120.200 -0.211 0.000 2.046 6186 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 6186 E C 1.745 178.241 176.600 -0.173 0.000 0.982 6186 E CA 1.241 57.465 56.400 -0.294 0.000 0.800 6186 E CB -0.231 29.142 29.700 -0.545 0.000 0.756 6186 E HN 0.454 nan 8.360 nan 0.000 0.449 6187 W N 1.194 122.498 121.300 0.007 0.000 2.358 6187 W HA -0.159 4.500 4.660 -0.000 0.000 0.303 6187 W C 2.625 179.111 176.519 -0.054 0.000 1.208 6187 W CA 0.642 57.967 57.345 -0.034 0.000 1.274 6187 W CB -0.255 29.153 29.460 -0.086 0.000 1.138 6187 W HN 0.248 nan 8.180 nan 0.000 0.515 6188 Q N 0.974 120.859 119.800 0.141 0.000 2.061 6188 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 6188 Q C 2.387 178.418 176.000 0.053 0.000 0.984 6188 Q CA 2.077 57.919 55.803 0.064 0.000 0.846 6188 Q CB -0.430 28.329 28.738 0.036 0.000 0.902 6188 Q HN 0.258 nan 8.270 nan 0.000 0.421 6189 A N 0.332 123.174 122.820 0.036 0.000 2.019 6189 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 6189 A C 1.843 179.454 177.584 0.045 0.000 1.164 6189 A CA 1.221 53.273 52.037 0.026 0.000 0.644 6189 A CB -0.355 18.646 19.000 0.001 0.000 0.805 6189 A HN 0.465 nan 8.150 nan 0.000 0.449 6190 M N -1.248 118.400 119.600 0.081 0.000 2.561 6190 M HA 0.153 4.633 4.480 -0.000 0.000 0.238 6190 M C 1.322 177.673 176.300 0.085 0.000 1.131 6190 M CA 0.736 56.097 55.300 0.102 0.000 1.046 6190 M CB 0.183 32.894 32.600 0.186 0.000 1.532 6190 M HN 0.612 nan 8.290 nan 0.000 0.497 6191 G N 0.742 109.584 108.800 0.070 0.000 2.143 6191 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.249 6191 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.249 6191 G C 0.075 174.994 174.900 0.032 0.000 0.981 6191 G CA -0.127 45.004 45.100 0.050 0.000 0.665 6191 G HN 0.324 nan 8.290 nan 0.000 0.528 6192 V N 1.566 121.502 119.914 0.037 0.000 2.599 6192 V HA 0.203 4.323 4.120 -0.000 0.000 0.300 6192 V C 1.850 177.900 176.094 -0.073 0.000 1.034 6192 V CA 1.089 63.373 62.300 -0.027 0.000 1.115 6192 V CB 1.205 33.004 31.823 -0.040 0.000 0.934 6192 V HN 0.400 nan 8.190 nan 0.000 0.485 6193 M N 3.157 122.697 119.600 -0.099 0.000 2.248 6193 M HA 0.084 4.564 4.480 -0.000 0.000 0.265 6193 M C 0.661 176.861 176.300 -0.167 0.000 1.079 6193 M CA 1.124 56.349 55.300 -0.125 0.000 1.150 6193 M CB -0.010 32.536 32.600 -0.090 0.000 1.366 6193 M HN 0.955 nan 8.290 nan 0.000 0.433 6194 N N -1.770 116.810 118.700 -0.200 0.000 3.046 6194 N HA 0.178 4.917 4.740 -0.000 0.000 0.243 6194 N C -1.971 173.376 175.510 -0.273 0.000 1.452 6194 N CA -0.683 52.247 53.050 -0.200 0.000 0.882 6194 N CB 1.072 39.503 38.487 -0.093 0.000 1.425 6194 N HN -0.108 nan 8.380 nan 0.000 0.517 6195 Y N -0.253 120.000 120.300 -0.079 0.000 2.377 6195 Y HA 0.496 5.046 4.550 -0.000 0.000 0.339 6195 Y C 0.305 176.156 175.900 -0.082 0.000 1.011 6195 Y CA -0.240 57.798 58.100 -0.102 0.000 1.093 6195 Y CB 1.515 39.893 38.460 -0.138 0.000 1.201 6195 Y HN 0.807 nan 8.280 nan 0.000 0.455 6196 E N 0.185 120.453 120.200 0.114 0.000 2.421 6196 E HA 0.547 4.897 4.350 -0.000 0.000 0.265 6196 E C -1.094 175.532 176.600 0.044 0.000 0.990 6196 E CA -0.739 55.699 56.400 0.064 0.000 0.874 6196 E CB 1.198 30.922 29.700 0.040 0.000 1.646 6196 E HN 0.445 nan 8.360 nan 0.000 0.451 6197 M N -0.433 119.189 119.600 0.036 0.000 2.414 6197 M HA 0.338 4.818 4.480 -0.000 0.000 0.357 6197 M C -0.321 175.988 176.300 0.015 0.000 1.059 6197 M CA 0.228 55.543 55.300 0.024 0.000 0.959 6197 M CB 0.652 33.274 32.600 0.036 0.000 1.522 6197 M HN 0.563 nan 8.290 nan 0.000 0.551 6198 E N -1.017 119.190 120.200 0.012 0.000 2.633 6198 E HA 0.056 4.406 4.350 -0.000 0.000 0.214 6198 E C 1.726 178.323 176.600 -0.005 0.000 0.898 6198 E CA 0.536 56.939 56.400 0.004 0.000 1.422 6198 E CB 0.407 30.111 29.700 0.007 0.000 1.398 6198 E HN 0.294 nan 8.360 nan 0.000 0.752 6199 S N 0.962 116.661 115.700 -0.002 0.000 2.368 6199 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 6199 S C 2.223 176.818 174.600 -0.008 0.000 1.030 6199 S CA 1.046 59.242 58.200 -0.007 0.000 0.999 6199 S CB -0.347 62.850 63.200 -0.005 0.000 0.844 6199 S HN 0.236 nan 8.310 nan 0.000 0.459 6200 A N 1.838 124.657 122.820 -0.002 0.000 1.851 6200 A HA -0.108 4.211 4.320 -0.000 0.000 0.216 6200 A C 2.556 180.149 177.584 0.015 0.000 1.195 6200 A CA 2.618 54.662 52.037 0.012 0.000 0.622 6200 A CB -1.892 17.119 19.000 0.018 0.000 0.831 6200 A HN 0.666 nan 8.150 nan 0.000 0.444 6201 T N -1.146 113.413 114.554 0.008 0.000 2.746 6201 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 6201 T C 1.851 176.486 174.700 -0.108 0.000 1.039 6201 T CA 1.696 63.794 62.100 -0.003 0.000 1.142 6201 T CB -0.482 68.400 68.868 0.025 0.000 0.866 6201 T HN 0.338 nan 8.240 nan 0.000 0.444 6202 L N 0.516 121.676 121.223 -0.105 0.000 1.989 6202 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 6202 L C 2.237 179.021 176.870 -0.142 0.000 1.071 6202 L CA 1.751 56.494 54.840 -0.162 0.000 0.749 6202 L CB -0.830 41.166 42.059 -0.105 0.000 0.890 6202 L HN 0.246 nan 8.230 nan 0.000 0.431 6203 L N -0.585 120.602 121.223 -0.059 0.000 2.056 6203 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 6203 L C 2.492 179.373 176.870 0.017 0.000 1.078 6203 L CA 2.140 56.975 54.840 -0.008 0.000 0.749 6203 L CB -1.627 40.446 42.059 0.024 0.000 0.901 6203 L HN 0.330 nan 8.230 nan 0.000 0.433 6204 T N -0.088 114.472 114.554 0.011 0.000 2.737 6204 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 6204 T C 1.821 176.437 174.700 -0.140 0.000 1.038 6204 T CA 1.742 63.868 62.100 0.043 0.000 1.144 6204 T CB -0.241 68.680 68.868 0.087 0.000 0.866 6204 T HN 0.464 nan 8.240 nan 0.000 0.434 6205 M N 0.189 119.581 119.600 -0.348 0.000 2.229 6205 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 6205 M C 2.202 178.236 176.300 -0.442 0.000 1.063 6205 M CA 1.449 56.302 55.300 -0.745 0.000 1.114 6205 M CB -1.020 30.655 32.600 -1.541 0.000 1.387 6205 M HN 0.172 nan 8.290 nan 0.000 0.420 6206 C N 1.335 120.470 119.300 -0.275 0.000 2.500 6206 C HA 0.188 4.648 4.460 -0.000 0.000 0.279 6206 C C 3.279 178.254 174.990 -0.026 0.000 1.288 6206 C CA 0.971 59.908 59.018 -0.135 0.000 1.710 6206 C CB -1.089 26.607 27.740 -0.074 0.000 2.052 6206 C HN 0.761 nan 8.230 nan 0.000 0.488 6207 A N 0.996 123.839 122.820 0.037 0.000 2.024 6207 A HA -0.141 4.178 4.320 -0.000 0.000 0.220 6207 A C 2.127 179.806 177.584 0.159 0.000 1.164 6207 A CA 2.191 54.325 52.037 0.163 0.000 0.643 6207 A CB -0.587 18.603 19.000 0.317 0.000 0.806 6207 A HN 0.723 nan 8.150 nan 0.000 0.451 6208 S N -2.111 113.557 115.700 -0.053 0.000 2.556 6208 S HA 0.196 4.666 4.470 -0.000 0.000 0.216 6208 S C 0.883 175.435 174.600 -0.081 0.000 0.970 6208 S CA 0.185 58.265 58.200 -0.200 0.000 0.912 6208 S CB 0.108 62.968 63.200 -0.567 0.000 0.790 6208 S HN 0.619 nan 8.310 nan 0.000 0.504 6209 Q N 0.246 120.022 119.800 -0.039 0.000 2.086 6209 Q HA 0.343 4.683 4.340 -0.000 0.000 0.220 6209 Q C 0.659 176.673 176.000 0.023 0.000 0.792 6209 Q CA 0.058 55.855 55.803 -0.010 0.000 1.062 6209 Q CB 1.049 29.768 28.738 -0.032 0.000 1.198 6209 Q HN 0.634 nan 8.270 nan 0.000 0.466 6210 G N 1.379 110.204 108.800 0.042 0.000 2.160 6210 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.251 6210 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.251 6210 G C -0.077 174.864 174.900 0.068 0.000 1.008 6210 G CA 0.238 45.372 45.100 0.057 0.000 0.724 6210 G HN 0.271 nan 8.290 nan 0.000 0.514 6211 L N -0.151 121.118 121.223 0.076 0.000 2.322 6211 L HA 0.612 4.952 4.340 -0.000 0.000 0.279 6211 L C 1.040 177.986 176.870 0.127 0.000 1.036 6211 L CA -1.083 53.832 54.840 0.125 0.000 0.807 6211 L CB 1.240 43.403 42.059 0.172 0.000 1.226 6211 L HN 0.067 nan 8.230 nan 0.000 0.433 6212 R N 2.004 122.590 120.500 0.142 0.000 2.357 6212 R HA 0.764 5.104 4.340 -0.000 0.000 0.296 6212 R C -0.667 175.732 176.300 0.165 0.000 1.052 6212 R CA -0.506 55.667 56.100 0.122 0.000 0.988 6212 R CB 1.460 31.809 30.300 0.082 0.000 1.025 6212 R HN 0.708 nan 8.270 nan 0.000 0.469 6213 A N 1.305 124.199 122.820 0.123 0.000 2.486 6213 A HA 0.737 5.057 4.320 -0.000 0.000 0.300 6213 A C -0.733 176.896 177.584 0.076 0.000 1.048 6213 A CA -0.630 51.482 52.037 0.124 0.000 0.696 6213 A CB 2.144 21.198 19.000 0.090 0.000 1.278 6213 A HN 0.764 nan 8.150 nan 0.000 0.405 6214 G N -0.086 108.756 108.800 0.069 0.000 2.533 6214 G HA2 0.701 4.661 3.960 -0.000 0.000 0.304 6214 G HA3 0.701 4.661 3.960 -0.000 0.000 0.304 6214 G C -1.069 173.853 174.900 0.036 0.000 1.263 6214 G CA -0.587 44.535 45.100 0.037 0.000 0.964 6214 G HN 1.195 nan 8.290 nan 0.000 0.479 6215 M N 1.818 121.430 119.600 0.021 0.000 2.224 6215 M HA 0.675 5.155 4.480 -0.000 0.000 0.281 6215 M C -1.869 174.438 176.300 0.012 0.000 1.025 6215 M CA -0.849 54.462 55.300 0.019 0.000 0.954 6215 M CB 1.825 34.433 32.600 0.014 0.000 1.639 6215 M HN 0.759 nan 8.290 nan 0.000 0.461 6216 V N 4.081 124.004 119.914 0.015 0.000 2.971 6216 V HA 1.055 5.175 4.120 -0.000 0.000 0.309 6216 V C -1.737 174.367 176.094 0.017 0.000 1.130 6216 V CA 0.235 62.542 62.300 0.013 0.000 0.964 6216 V CB 2.003 33.832 31.823 0.011 0.000 1.029 6216 V HN 1.284 nan 8.190 nan 0.000 0.427 6217 A N 3.599 126.430 122.820 0.018 0.000 2.572 6217 A HA 0.937 5.257 4.320 -0.000 0.000 0.295 6217 A C -0.282 177.316 177.584 0.024 0.000 1.072 6217 A CA -0.178 51.871 52.037 0.020 0.000 0.691 6217 A CB 1.872 20.884 19.000 0.019 0.000 1.291 6217 A HN 1.697 nan 8.150 nan 0.000 0.404 6218 G N -0.084 108.731 108.800 0.025 0.000 2.356 6218 G HA2 0.536 4.496 3.960 -0.000 0.000 0.322 6218 G HA3 0.536 4.496 3.960 -0.000 0.000 0.322 6218 G C -0.553 174.361 174.900 0.023 0.000 1.125 6218 G CA -0.393 44.723 45.100 0.027 0.000 0.885 6218 G HN 0.923 nan 8.290 nan 0.000 0.467 6219 V N 3.215 123.141 119.914 0.019 0.000 2.508 6219 V HA 0.123 4.243 4.120 -0.000 0.000 0.281 6219 V C 1.315 177.419 176.094 0.017 0.000 1.041 6219 V CA 0.118 62.426 62.300 0.013 0.000 1.016 6219 V CB 0.825 32.648 31.823 0.000 0.000 0.984 6219 V HN 0.775 nan 8.190 nan 0.000 0.478 6220 I N 3.212 123.797 120.570 0.024 0.000 4.181 6220 I HA 0.530 4.700 4.170 -0.000 0.000 0.331 6220 I C 0.238 176.373 176.117 0.029 0.000 1.312 6220 I CA 0.303 61.620 61.300 0.028 0.000 1.146 6220 I CB 1.110 39.133 38.000 0.037 0.000 1.074 6220 I HN 0.417 nan 8.210 nan 0.000 0.402 6221 V N 1.466 121.395 119.914 0.025 0.000 3.000 6221 V HA 0.447 4.567 4.120 -0.000 0.000 0.300 6221 V C -1.791 174.307 176.094 0.007 0.000 1.251 6221 V CA -0.579 61.734 62.300 0.021 0.000 0.972 6221 V CB 2.251 34.094 31.823 0.033 0.000 1.065 6221 V HN 0.331 nan 8.190 nan 0.000 0.431 6222 N N 5.085 123.786 118.700 0.002 0.000 2.469 6222 N HA 0.387 5.127 4.740 -0.000 0.000 0.253 6222 N C 0.640 176.152 175.510 0.005 0.000 0.970 6222 N CA -0.528 52.516 53.050 -0.010 0.000 0.940 6222 N CB 1.537 40.012 38.487 -0.021 0.000 1.128 6222 N HN 0.613 nan 8.380 nan 0.000 0.503 6223 R N 0.944 121.452 120.500 0.013 0.000 2.276 6223 R HA -0.024 4.316 4.340 -0.000 0.000 0.203 6223 R C 1.354 177.678 176.300 0.041 0.000 1.017 6223 R CA 0.687 56.809 56.100 0.037 0.000 1.010 6223 R CB -0.603 29.745 30.300 0.080 0.000 0.900 6223 R HN 0.651 nan 8.270 nan 0.000 0.469 6224 T N -2.823 111.745 114.554 0.022 0.000 3.160 6224 T HA 0.021 4.371 4.350 -0.000 0.000 0.257 6224 T C 1.379 176.093 174.700 0.023 0.000 1.147 6224 T CA 0.673 62.787 62.100 0.023 0.000 1.064 6224 T CB 0.239 69.113 68.868 0.010 0.000 0.949 6224 T HN 0.235 nan 8.240 nan 0.000 0.526 6225 Q N 0.112 119.926 119.800 0.022 0.000 2.577 6225 Q HA 0.270 4.610 4.340 -0.000 0.000 0.242 6225 Q C 0.491 176.508 176.000 0.029 0.000 0.818 6225 Q CA -0.107 55.709 55.803 0.022 0.000 0.962 6225 Q CB 0.690 29.438 28.738 0.016 0.000 1.272 6225 Q HN 0.763 nan 8.270 nan 0.000 0.593 6226 Q N -0.970 118.849 119.800 0.031 0.000 2.534 6226 Q HA 0.379 4.719 4.340 -0.000 0.000 0.290 6226 Q C -0.432 175.590 176.000 0.036 0.000 0.991 6226 Q CA -0.593 55.232 55.803 0.038 0.000 0.783 6226 Q CB 1.254 30.014 28.738 0.037 0.000 1.470 6226 Q HN -0.064 nan 8.270 nan 0.000 0.406 6227 E N 0.163 120.389 120.200 0.044 0.000 2.127 6227 E HA 0.151 4.501 4.350 -0.000 0.000 0.191 6227 E C 0.239 176.856 176.600 0.030 0.000 0.964 6227 E CA 0.485 56.899 56.400 0.023 0.000 0.832 6227 E CB 0.559 30.291 29.700 0.053 0.000 0.790 6227 E HN 0.420 nan 8.360 nan 0.000 0.465 6228 I N 3.017 123.630 120.570 0.073 0.000 2.404 6228 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 6228 I C -2.316 173.845 176.117 0.073 0.000 0.992 6228 I CA -2.860 58.500 61.300 0.101 0.000 1.149 6228 I CB 1.086 39.163 38.000 0.127 0.000 1.315 6228 I HN -0.151 nan 8.210 nan 0.000 0.446 6229 P HA 0.330 nan 4.420 nan 0.000 0.276 6229 P C -0.435 176.892 177.300 0.045 0.000 1.252 6229 P CA -0.236 62.894 63.100 0.051 0.000 0.802 6229 P CB 1.468 33.198 31.700 0.050 0.000 1.035 6230 N N -0.874 117.846 118.700 0.034 0.000 2.445 6230 N HA 0.082 4.822 4.740 -0.000 0.000 0.204 6230 N C 0.691 176.214 175.510 0.021 0.000 1.098 6230 N CA -0.046 53.021 53.050 0.028 0.000 0.859 6230 N CB -0.458 38.044 38.487 0.025 0.000 1.249 6230 N HN 0.449 nan 8.380 nan 0.000 0.462 6231 A N 2.071 124.903 122.820 0.021 0.000 2.586 6231 A HA -0.007 4.313 4.320 -0.000 0.000 0.231 6231 A C 0.638 178.231 177.584 0.015 0.000 1.055 6231 A CA 0.265 52.312 52.037 0.017 0.000 0.756 6231 A CB 0.254 19.264 19.000 0.017 0.000 0.988 6231 A HN 0.053 nan 8.150 nan 0.000 0.509 6232 E N -0.030 120.177 120.200 0.012 0.000 2.392 6232 E HA 0.164 4.513 4.350 -0.000 0.000 0.259 6232 E C 0.976 177.581 176.600 0.008 0.000 1.108 6232 E CA 0.625 57.030 56.400 0.008 0.000 0.916 6232 E CB 1.194 30.897 29.700 0.006 0.000 0.989 6232 E HN 0.734 nan 8.360 nan 0.000 0.432 6233 T N -0.036 114.520 114.554 0.003 0.000 2.987 6233 T HA 0.012 4.362 4.350 -0.000 0.000 0.248 6233 T C 0.954 175.652 174.700 -0.003 0.000 0.997 6233 T CA 0.143 62.244 62.100 0.001 0.000 1.013 6233 T CB 0.230 69.096 68.868 -0.004 0.000 1.077 6233 T HN 0.301 nan 8.240 nan 0.000 0.483 6234 M N 0.568 120.164 119.600 -0.007 0.000 2.655 6234 M HA 0.613 5.092 4.480 -0.000 0.000 0.311 6234 M C -0.030 176.261 176.300 -0.014 0.000 1.229 6234 M CA -0.677 54.615 55.300 -0.014 0.000 0.972 6234 M CB 0.235 32.825 32.600 -0.018 0.000 1.366 6234 M HN -0.195 nan 8.290 nan 0.000 0.500 6235 K N 1.427 121.823 120.400 -0.007 0.000 2.359 6235 K HA 0.458 4.778 4.320 -0.000 0.000 0.261 6235 K C 0.250 176.846 176.600 -0.007 0.000 1.050 6235 K CA -0.279 56.005 56.287 -0.006 0.000 1.053 6235 K CB 0.013 32.515 32.500 0.003 0.000 1.492 6235 K HN 0.408 nan 8.250 nan 0.000 0.640 6236 Q N -0.199 119.599 119.800 -0.003 0.000 2.297 6236 Q HA 0.230 4.570 4.340 -0.000 0.000 0.265 6236 Q C 0.123 176.142 176.000 0.031 0.000 0.904 6236 Q CA 0.153 55.955 55.803 -0.002 0.000 0.969 6236 Q CB -0.099 28.627 28.738 -0.020 0.000 1.115 6236 Q HN 0.319 nan 8.270 nan 0.000 0.433 6237 T N 0.945 115.527 114.554 0.047 0.000 2.781 6237 T HA -0.105 4.245 4.350 -0.000 0.000 0.252 6237 T C 1.241 176.011 174.700 0.117 0.000 1.039 6237 T CA 1.153 63.304 62.100 0.086 0.000 1.147 6237 T CB 0.010 68.907 68.868 0.050 0.000 0.865 6237 T HN 0.572 nan 8.240 nan 0.000 0.423 6238 E N 2.549 122.790 120.200 0.067 0.000 2.463 6238 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 6238 E C 1.664 178.297 176.600 0.055 0.000 1.083 6238 E CA 0.262 56.700 56.400 0.064 0.000 0.872 6238 E CB -0.524 29.197 29.700 0.035 0.000 0.966 6238 E HN 0.589 nan 8.360 nan 0.000 0.491 6239 S N 0.161 115.886 115.700 0.041 0.000 2.481 6239 S HA -0.121 4.348 4.470 -0.000 0.000 0.231 6239 S C 1.692 176.274 174.600 -0.030 0.000 0.996 6239 S CA 0.250 58.442 58.200 -0.014 0.000 0.942 6239 S CB -0.630 62.537 63.200 -0.055 0.000 0.768 6239 S HN 0.327 nan 8.310 nan 0.000 0.520 6240 H N 1.780 120.841 119.070 -0.014 0.000 2.319 6240 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 6240 H C 2.606 177.925 175.328 -0.015 0.000 1.092 6240 H CA 1.734 57.773 56.048 -0.014 0.000 1.302 6240 H CB -0.495 29.259 29.762 -0.012 0.000 1.373 6240 H HN 0.609 nan 8.280 nan 0.000 0.497 6241 A N 0.554 123.443 122.820 0.114 0.000 1.930 6241 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 6241 A C 2.806 180.405 177.584 0.024 0.000 1.175 6241 A CA 1.380 53.450 52.037 0.056 0.000 0.627 6241 A CB -0.679 18.347 19.000 0.044 0.000 0.815 6241 A HN 0.203 nan 8.150 nan 0.000 0.443 6242 V N 0.357 120.277 119.914 0.010 0.000 2.307 6242 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 6242 V C 2.575 178.655 176.094 -0.023 0.000 1.045 6242 V CA 2.099 64.392 62.300 -0.012 0.000 1.024 6242 V CB -0.618 31.190 31.823 -0.026 0.000 0.651 6242 V HN 0.497 nan 8.190 nan 0.000 0.449 6243 K N 0.721 121.099 120.400 -0.036 0.000 2.057 6243 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 6243 K C 2.140 178.723 176.600 -0.028 0.000 1.049 6243 K CA 2.107 58.364 56.287 -0.049 0.000 0.931 6243 K CB -0.370 32.074 32.500 -0.093 0.000 0.714 6243 K HN 0.700 nan 8.250 nan 0.000 0.440 6244 I N -2.048 118.516 120.570 -0.009 0.000 2.546 6244 I HA -0.117 4.053 4.170 -0.000 0.000 0.255 6244 I C 2.063 178.175 176.117 -0.008 0.000 1.163 6244 I CA 0.758 62.055 61.300 -0.004 0.000 1.457 6244 I CB -0.267 37.740 38.000 0.011 0.000 1.092 6244 I HN -0.199 nan 8.210 nan 0.000 0.434 6245 V N 0.738 120.649 119.914 -0.006 0.000 2.548 6245 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 6245 V C 2.470 178.558 176.094 -0.010 0.000 1.055 6245 V CA 1.621 63.918 62.300 -0.005 0.000 1.065 6245 V CB 0.166 31.991 31.823 0.002 0.000 0.681 6245 V HN 0.414 nan 8.190 nan 0.000 0.462 6246 V N 0.259 120.164 119.914 -0.015 0.000 2.307 6246 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 6246 V C 2.493 178.576 176.094 -0.018 0.000 1.045 6246 V CA 2.237 64.526 62.300 -0.018 0.000 1.024 6246 V CB -0.639 31.169 31.823 -0.024 0.000 0.651 6246 V HN 0.699 nan 8.190 nan 0.000 0.449 6247 E N 1.038 121.226 120.200 -0.020 0.000 2.153 6247 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 6247 E C 2.027 178.615 176.600 -0.020 0.000 0.988 6247 E CA 1.630 58.018 56.400 -0.019 0.000 0.811 6247 E CB -0.396 29.293 29.700 -0.020 0.000 0.746 6247 E HN 0.507 nan 8.360 nan 0.000 0.466 6248 A N 0.785 123.594 122.820 -0.020 0.000 1.930 6248 A HA 0.056 4.375 4.320 -0.000 0.000 0.217 6248 A C 2.455 180.025 177.584 -0.022 0.000 1.175 6248 A CA 1.716 53.739 52.037 -0.023 0.000 0.627 6248 A CB -0.968 18.019 19.000 -0.023 0.000 0.815 6248 A HN 0.402 nan 8.150 nan 0.000 0.443 6249 A N -0.035 122.774 122.820 -0.019 0.000 1.940 6249 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 6249 A C 2.215 179.787 177.584 -0.020 0.000 1.176 6249 A CA 1.500 53.525 52.037 -0.020 0.000 0.631 6249 A CB -0.500 18.489 19.000 -0.018 0.000 0.814 6249 A HN 0.554 nan 8.150 nan 0.000 0.446 6250 R N -0.574 119.915 120.500 -0.018 0.000 2.094 6250 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 6250 R C 2.333 178.623 176.300 -0.016 0.000 1.137 6250 R CA 1.915 58.005 56.100 -0.016 0.000 0.943 6250 R CB -0.353 29.938 30.300 -0.015 0.000 0.850 6250 R HN 0.533 nan 8.270 nan 0.000 0.433 6251 R N 0.367 120.856 120.500 -0.019 0.000 2.189 6251 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 6251 R C 1.813 178.103 176.300 -0.017 0.000 1.092 6251 R CA 0.751 56.839 56.100 -0.018 0.000 0.989 6251 R CB -0.079 30.206 30.300 -0.024 0.000 0.876 6251 R HN 0.214 nan 8.270 nan 0.000 0.457 6252 L N 0.704 121.915 121.223 -0.020 0.000 2.592 6252 L HA 0.169 4.509 4.340 -0.000 0.000 0.227 6252 L C 0.494 177.352 176.870 -0.019 0.000 1.127 6252 L CA -0.135 54.694 54.840 -0.019 0.000 0.884 6252 L CB 0.083 42.129 42.059 -0.022 0.000 1.065 6252 L HN 0.057 nan 8.230 nan 0.000 0.457 6253 L N 0.000 121.212 121.223 -0.018 0.000 2.949 6253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 6253 L CA 0.000 54.830 54.840 -0.018 0.000 0.813 6253 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502