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 3c74_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 TQQEIPNAET MKXXESHAVK 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 0.000 174.596 174.600 -0.006 0.000 1.055 6004 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 6004 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 6005 D N 1.751 122.150 120.400 -0.000 0.000 2.289 6005 D HA 0.158 4.806 4.640 0.013 0.000 0.207 6005 D C 0.770 177.084 176.300 0.023 0.000 0.966 6005 D CA 1.359 55.366 54.000 0.011 0.000 0.868 6005 D CB 0.618 41.424 40.800 0.010 0.000 0.943 6005 D HN 0.516 nan 8.370 nan 0.000 0.514 6006 V N -2.814 117.112 119.914 0.020 0.000 3.046 6006 V HA 0.388 4.516 4.120 0.013 0.000 0.316 6006 V C 0.644 176.769 176.094 0.053 0.000 1.104 6006 V CA -0.985 61.343 62.300 0.047 0.000 1.006 6006 V CB 1.596 33.439 31.823 0.034 0.000 1.058 6006 V HN -0.159 nan 8.190 nan 0.000 0.440 6007 F N 0.402 120.296 119.950 -0.092 0.000 2.335 6007 F HA 0.199 4.734 4.527 0.013 0.000 0.296 6007 F C 1.805 177.393 175.800 -0.352 0.000 1.091 6007 F CA 1.917 59.786 58.000 -0.218 0.000 1.399 6007 F CB -0.026 38.823 39.000 -0.252 0.000 1.067 6007 F HN 0.804 nan 8.300 nan 0.000 0.520 6008 H N -1.957 117.012 119.070 -0.168 0.000 2.481 6008 H HA 0.188 4.753 4.556 0.014 0.000 0.291 6008 H C 1.687 176.895 175.328 -0.199 0.000 1.009 6008 H CA 0.743 56.649 56.048 -0.236 0.000 1.282 6008 H CB -0.124 29.527 29.762 -0.185 0.000 1.457 6008 H HN 0.040 nan 8.280 nan 0.000 0.525 6009 L N 0.093 121.267 121.223 -0.083 0.000 2.395 6009 L HA 0.169 4.517 4.340 0.013 0.000 0.218 6009 L C 1.166 178.062 176.870 0.043 0.000 1.130 6009 L CA 1.302 56.127 54.840 -0.024 0.000 0.826 6009 L CB -0.649 41.370 42.059 -0.068 0.000 0.941 6009 L HN 0.532 nan 8.230 nan 0.000 0.451 6010 G N 0.249 108.989 108.800 -0.099 0.000 2.314 6010 G HA2 -0.264 3.704 3.960 0.013 0.000 0.292 6010 G HA3 -0.264 3.704 3.960 0.013 0.000 0.292 6010 G C -0.112 174.797 174.900 0.016 0.000 1.059 6010 G CA 0.413 45.450 45.100 -0.105 0.000 0.982 6010 G HN 0.270 nan 8.290 nan 0.000 0.505 6011 L N -0.478 120.745 121.223 0.001 0.000 2.350 6011 L HA 0.854 5.202 4.340 0.013 0.000 0.260 6011 L C 0.694 177.566 176.870 0.003 0.000 1.015 6011 L CA -0.663 54.184 54.840 0.012 0.000 0.821 6011 L CB 2.484 44.556 42.059 0.022 0.000 1.370 6011 L HN 0.374 nan 8.230 nan 0.000 0.416 6012 T N -3.543 111.013 114.554 0.003 0.000 2.940 6012 T HA 0.385 4.743 4.350 0.013 0.000 0.288 6012 T C 0.586 175.288 174.700 0.002 0.000 1.045 6012 T CA -0.897 61.204 62.100 0.002 0.000 1.018 6012 T CB 1.938 70.805 68.868 -0.001 0.000 1.151 6012 T HN 0.497 nan 8.240 nan 0.000 0.529 6013 K N 0.191 120.593 120.400 0.003 0.000 2.209 6013 K HA -0.134 4.194 4.320 0.013 0.000 0.204 6013 K C 2.072 178.670 176.600 -0.002 0.000 1.048 6013 K CA 1.307 57.595 56.287 0.001 0.000 0.940 6013 K CB -0.285 32.216 32.500 0.002 0.000 0.729 6013 K HN 0.589 nan 8.250 nan 0.000 0.451 6014 N N 1.566 120.264 118.700 -0.003 0.000 2.166 6014 N HA -0.171 4.577 4.740 0.013 0.000 0.186 6014 N C 1.150 176.654 175.510 -0.009 0.000 1.019 6014 N CA 1.518 54.565 53.050 -0.006 0.000 0.856 6014 N CB -0.053 38.429 38.487 -0.007 0.000 0.993 6014 N HN 0.072 nan 8.380 nan 0.000 0.426 6015 D N -0.347 120.048 120.400 -0.009 0.000 2.182 6015 D HA -0.128 4.520 4.640 0.013 0.000 0.201 6015 D C 1.594 177.889 176.300 -0.009 0.000 0.986 6015 D CA 0.712 54.705 54.000 -0.012 0.000 0.847 6015 D CB -0.099 40.696 40.800 -0.009 0.000 0.942 6015 D HN 0.286 nan 8.370 nan 0.000 0.467 6016 L N 0.040 121.260 121.223 -0.005 0.000 2.240 6016 L HA 0.018 4.366 4.340 0.013 0.000 0.211 6016 L C 0.889 177.755 176.870 -0.007 0.000 1.106 6016 L CA 0.655 55.493 54.840 -0.005 0.000 0.793 6016 L CB -0.445 41.610 42.059 -0.008 0.000 0.927 6016 L HN 0.006 nan 8.230 nan 0.000 0.446 6017 Q N -0.414 119.381 119.800 -0.007 0.000 2.457 6017 Q HA -0.273 4.076 4.340 0.013 0.000 0.283 6017 Q C 1.036 177.031 176.000 -0.008 0.000 1.234 6017 Q CA 0.385 56.184 55.803 -0.007 0.000 0.877 6017 Q CB -1.771 26.963 28.738 -0.006 0.000 1.250 6017 Q HN 0.642 nan 8.270 nan 0.000 0.481 6018 G N -2.422 106.372 108.800 -0.010 0.000 2.176 6018 G HA2 -0.210 3.758 3.960 0.013 0.000 0.232 6018 G HA3 -0.210 3.758 3.960 0.013 0.000 0.232 6018 G C 0.221 175.109 174.900 -0.019 0.000 0.986 6018 G CA -0.002 45.091 45.100 -0.012 0.000 0.643 6018 G HN 1.083 nan 8.290 nan 0.000 0.522 6019 A N -0.206 122.601 122.820 -0.022 0.000 2.511 6019 A HA 0.619 4.947 4.320 0.013 0.000 0.242 6019 A C 0.968 178.519 177.584 -0.055 0.000 1.069 6019 A CA 1.345 53.361 52.037 -0.034 0.000 0.763 6019 A CB 0.267 19.249 19.000 -0.030 0.000 1.001 6019 A HN 0.558 nan 8.150 nan 0.000 0.498 6020 Q N 0.766 120.523 119.800 -0.072 0.000 2.113 6020 Q HA 0.320 4.668 4.340 0.013 0.000 0.225 6020 Q C -0.695 175.207 176.000 -0.162 0.000 0.786 6020 Q CA -0.018 55.723 55.803 -0.102 0.000 0.989 6020 Q CB 0.812 29.509 28.738 -0.068 0.000 1.174 6020 Q HN 0.722 nan 8.270 nan 0.000 0.470 6021 L N 0.787 121.921 121.223 -0.148 0.000 2.385 6021 L HA 0.840 5.188 4.340 0.013 0.000 0.273 6021 L C -1.695 175.073 176.870 -0.170 0.000 0.990 6021 L CA -0.640 54.093 54.840 -0.179 0.000 0.821 6021 L CB 1.669 43.667 42.059 -0.103 0.000 1.279 6021 L HN -0.059 nan 8.230 nan 0.000 0.412 6022 A N 5.672 128.352 122.820 -0.233 0.000 2.371 6022 A HA 0.716 5.044 4.320 0.013 0.000 0.311 6022 A C -1.029 176.538 177.584 -0.029 0.000 1.068 6022 A CA -0.531 51.433 52.037 -0.122 0.000 0.744 6022 A CB 1.122 20.038 19.000 -0.140 0.000 1.239 6022 A HN 0.665 nan 8.150 nan 0.000 0.435 6023 I N 2.462 123.043 120.570 0.018 0.000 2.342 6023 I HA 0.371 4.549 4.170 0.013 0.000 0.291 6023 I C -0.198 175.967 176.117 0.079 0.000 1.010 6023 I CA -0.611 60.716 61.300 0.045 0.000 1.308 6023 I CB 1.764 39.778 38.000 0.023 0.000 1.400 6023 I HN 0.454 nan 8.210 nan 0.000 0.488 6024 V N 5.765 125.741 119.914 0.102 0.000 2.266 6024 V HA 0.521 4.649 4.120 0.013 0.000 0.271 6024 V C -2.544 173.596 176.094 0.077 0.000 1.032 6024 V CA -1.930 60.440 62.300 0.117 0.000 0.806 6024 V CB 0.373 32.300 31.823 0.173 0.000 1.052 6024 V HN 0.454 nan 8.190 nan 0.000 0.449 6025 P HA 0.353 nan 4.420 nan 0.000 0.278 6025 P C 0.913 178.233 177.300 0.034 0.000 1.266 6025 P CA 0.202 63.322 63.100 0.033 0.000 0.807 6025 P CB 1.827 33.534 31.700 0.012 0.000 1.094 6026 G N -0.470 108.339 108.800 0.014 0.000 2.417 6026 G HA2 -0.063 3.905 3.960 0.013 0.000 0.212 6026 G HA3 -0.063 3.905 3.960 0.013 0.000 0.212 6026 G C 0.253 175.144 174.900 -0.014 0.000 1.187 6026 G CA 0.457 45.558 45.100 0.003 0.000 0.804 6026 G HN 0.498 nan 8.290 nan 0.000 0.534 6027 D N 0.617 121.005 120.400 -0.019 0.000 2.317 6027 D HA 0.262 4.910 4.640 0.013 0.000 0.252 6027 D C -1.353 174.932 176.300 -0.025 0.000 1.174 6027 D CA -2.168 51.813 54.000 -0.031 0.000 0.866 6027 D CB 1.931 42.711 40.800 -0.034 0.000 1.127 6027 D HN -0.080 nan 8.370 nan 0.000 0.467 6028 P HA -0.189 nan 4.420 nan 0.000 0.217 6028 P C 0.923 178.211 177.300 -0.019 0.000 1.151 6028 P CA 1.365 64.462 63.100 -0.005 0.000 0.849 6028 P CB 0.088 31.782 31.700 -0.009 0.000 0.787 6029 E N -0.238 119.942 120.200 -0.034 0.000 2.409 6029 E HA -0.147 4.211 4.350 0.013 0.000 0.198 6029 E C 1.767 178.319 176.600 -0.081 0.000 1.024 6029 E CA 0.727 57.097 56.400 -0.050 0.000 0.861 6029 E CB -0.424 29.251 29.700 -0.041 0.000 0.788 6029 E HN 0.201 nan 8.360 nan 0.000 0.521 6030 R N 0.331 120.786 120.500 -0.075 0.000 2.246 6030 R HA 0.076 4.424 4.340 0.013 0.000 0.199 6030 R C 2.085 178.304 176.300 -0.135 0.000 0.984 6030 R CA 0.537 56.583 56.100 -0.091 0.000 1.015 6030 R CB 0.145 30.411 30.300 -0.056 0.000 0.930 6030 R HN 0.063 nan 8.270 nan 0.000 0.475 6031 V N 2.435 122.264 119.914 -0.141 0.000 2.231 6031 V HA -0.331 3.797 4.120 0.013 0.000 0.248 6031 V C 2.338 178.163 176.094 -0.449 0.000 1.054 6031 V CA 2.419 64.605 62.300 -0.189 0.000 1.015 6031 V CB -0.659 31.121 31.823 -0.072 0.000 0.638 6031 V HN 0.486 nan 8.190 nan 0.000 0.444 6032 E N 0.398 120.156 120.200 -0.738 0.000 2.110 6032 E HA -0.226 4.132 4.350 0.013 0.000 0.193 6032 E C 2.030 178.256 176.600 -0.623 0.000 0.988 6032 E CA 1.096 56.784 56.400 -1.186 0.000 0.804 6032 E CB -0.340 28.606 29.700 -1.256 0.000 0.745 6032 E HN 0.484 nan 8.360 nan 0.000 0.458 6033 K N 0.922 121.101 120.400 -0.368 0.000 2.097 6033 K HA -0.067 4.261 4.320 0.013 0.000 0.206 6033 K C 2.209 178.697 176.600 -0.186 0.000 1.049 6033 K CA 1.051 57.202 56.287 -0.227 0.000 0.933 6033 K CB -0.283 32.125 32.500 -0.153 0.000 0.717 6033 K HN 0.323 nan 8.250 nan 0.000 0.442 6034 I N 1.279 121.739 120.570 -0.183 0.000 2.252 6034 I HA -0.203 3.975 4.170 0.013 0.000 0.245 6034 I C 2.490 178.534 176.117 -0.122 0.000 1.102 6034 I CA 1.007 62.232 61.300 -0.124 0.000 1.385 6034 I CB -0.395 37.551 38.000 -0.090 0.000 1.064 6034 I HN 0.045 nan 8.210 nan 0.000 0.414 6035 A N 0.698 123.406 122.820 -0.187 0.000 2.019 6035 A HA -0.098 4.230 4.320 0.013 0.000 0.219 6035 A C 2.487 180.016 177.584 -0.092 0.000 1.164 6035 A CA 1.605 53.570 52.037 -0.120 0.000 0.644 6035 A CB -0.664 18.247 19.000 -0.147 0.000 0.805 6035 A HN 0.426 nan 8.150 nan 0.000 0.449 6036 A N -0.769 121.957 122.820 -0.157 0.000 2.015 6036 A HA 0.069 4.397 4.320 0.013 0.000 0.219 6036 A C 1.791 179.342 177.584 -0.054 0.000 1.163 6036 A CA 1.302 53.281 52.037 -0.098 0.000 0.646 6036 A CB -0.398 18.525 19.000 -0.127 0.000 0.806 6036 A HN 0.394 nan 8.150 nan 0.000 0.448 6037 L N -0.805 120.382 121.223 -0.059 0.000 2.551 6037 L HA 0.118 4.466 4.340 0.013 0.000 0.228 6037 L C 0.900 177.756 176.870 -0.023 0.000 1.153 6037 L CA 0.841 55.656 54.840 -0.041 0.000 0.851 6037 L CB -0.453 41.577 42.059 -0.048 0.000 0.959 6037 L HN 0.400 nan 8.230 nan 0.000 0.451 6038 M N -1.848 117.744 119.600 -0.013 0.000 2.705 6038 M HA 0.313 4.801 4.480 0.013 0.000 0.311 6038 M C -0.519 175.792 176.300 0.019 0.000 1.214 6038 M CA -0.929 54.373 55.300 0.004 0.000 0.920 6038 M CB 1.270 33.877 32.600 0.011 0.000 1.687 6038 M HN -0.229 nan 8.290 nan 0.000 0.481 6039 D N 1.355 121.767 120.400 0.021 0.000 2.339 6039 D HA 0.139 4.787 4.640 0.013 0.000 0.245 6039 D C -0.307 176.018 176.300 0.042 0.000 1.115 6039 D CA 0.111 54.127 54.000 0.026 0.000 0.917 6039 D CB 0.615 41.425 40.800 0.017 0.000 1.192 6039 D HN 0.468 nan 8.370 nan 0.000 0.428 6040 K N -0.233 120.193 120.400 0.045 0.000 3.451 6040 K HA -0.138 4.190 4.320 0.013 0.000 0.273 6040 K C -2.347 174.305 176.600 0.086 0.000 0.944 6040 K CA 0.075 56.394 56.287 0.052 0.000 0.734 6040 K CB -1.179 31.341 32.500 0.033 0.000 1.437 6040 K HN 0.362 nan 8.250 nan 0.000 0.454 6041 P HA 0.247 nan 4.420 nan 0.000 0.280 6041 P C -0.580 176.872 177.300 0.254 0.000 1.244 6041 P CA -0.312 62.946 63.100 0.263 0.000 0.784 6041 P CB 1.750 33.639 31.700 0.316 0.000 0.913 6042 V N 2.990 122.991 119.914 0.145 0.000 2.888 6042 V HA 0.365 4.493 4.120 0.013 0.000 0.309 6042 V C -0.599 175.038 176.094 -0.761 0.000 1.114 6042 V CA -1.115 61.038 62.300 -0.245 0.000 0.940 6042 V CB 2.431 34.166 31.823 -0.147 0.000 1.021 6042 V HN 0.497 nan 8.190 nan 0.000 0.426 6043 K N 4.515 124.132 120.400 -1.305 0.000 2.276 6043 K HA 0.468 4.796 4.320 0.013 0.000 0.283 6043 K C 0.164 176.374 176.600 -0.649 0.000 1.044 6043 K CA -0.344 55.019 56.287 -1.541 0.000 0.944 6043 K CB 1.198 32.912 32.500 -1.310 0.000 1.012 6043 K HN 0.747 nan 8.250 nan 0.000 0.472 6044 L N 2.321 123.274 121.223 -0.449 0.000 2.379 6044 L HA 0.368 4.716 4.340 0.013 0.000 0.190 6044 L C 0.498 177.298 176.870 -0.117 0.000 1.111 6044 L CA 0.107 54.830 54.840 -0.194 0.000 0.820 6044 L CB 0.206 42.215 42.059 -0.085 0.000 1.046 6044 L HN 0.723 nan 8.230 nan 0.000 0.485 6045 A N -1.087 121.693 122.820 -0.066 0.000 2.610 6045 A HA 0.635 4.963 4.320 0.013 0.000 0.291 6045 A C -1.234 176.350 177.584 -0.000 0.000 1.086 6045 A CA -0.275 51.757 52.037 -0.008 0.000 0.677 6045 A CB 1.800 20.875 19.000 0.126 0.000 1.278 6045 A HN -0.087 nan 8.150 nan 0.000 0.414 6046 S N 0.504 116.124 115.700 -0.134 0.000 2.750 6046 S HA 0.630 5.108 4.470 0.013 0.000 0.276 6046 S C -1.782 172.587 174.600 -0.384 0.000 1.165 6046 S CA -0.471 57.657 58.200 -0.120 0.000 1.047 6046 S CB 0.353 63.505 63.200 -0.080 0.000 1.056 6046 S HN 0.709 nan 8.310 nan 0.000 0.481 6047 H N 3.839 122.978 119.070 0.116 0.000 2.840 6047 H HA 0.496 5.060 4.556 0.013 0.000 0.340 6047 H C 0.621 176.022 175.328 0.122 0.000 1.004 6047 H CA -0.478 55.637 56.048 0.110 0.000 1.288 6047 H CB 1.529 31.361 29.762 0.117 0.000 1.607 6047 H HN 0.784 nan 8.280 nan 0.000 0.522 6048 R N 0.740 121.316 120.500 0.127 0.000 3.896 6048 R HA -0.233 4.115 4.340 0.013 0.000 0.391 6048 R C 0.115 176.337 176.300 -0.130 0.000 0.244 6048 R CA 1.756 57.855 56.100 -0.002 0.000 1.261 6048 R CB -0.690 29.620 30.300 0.016 0.000 0.966 6048 R HN 0.494 nan 8.270 nan 0.000 0.576 6049 E N 0.757 120.723 120.200 -0.389 0.000 2.499 6049 E HA 0.196 4.554 4.350 0.013 0.000 0.199 6049 E C -0.658 175.658 176.600 -0.474 0.000 1.016 6049 E CA 0.235 56.379 56.400 -0.428 0.000 0.933 6049 E CB 0.313 29.752 29.700 -0.435 0.000 1.050 6049 E HN 0.179 nan 8.360 nan 0.000 0.462 6050 F N 0.720 120.712 119.950 0.070 0.000 2.293 6050 F HA 0.307 4.841 4.527 0.012 0.000 0.370 6050 F C 0.538 176.396 175.800 0.096 0.000 1.090 6050 F CA -0.568 57.484 58.000 0.087 0.000 1.133 6050 F CB 1.138 40.202 39.000 0.106 0.000 1.360 6050 F HN -0.405 nan 8.300 nan 0.000 0.489 6051 T N 2.180 116.869 114.554 0.225 0.000 2.758 6051 T HA 0.496 4.854 4.350 0.013 0.000 0.285 6051 T C -0.223 174.635 174.700 0.263 0.000 0.981 6051 T CA -0.729 61.496 62.100 0.209 0.000 0.965 6051 T CB 0.872 69.843 68.868 0.172 0.000 0.927 6051 T HN 0.503 nan 8.240 nan 0.000 0.448 6052 S N 2.490 118.342 115.700 0.253 0.000 2.482 6052 S HA 0.771 5.249 4.470 0.013 0.000 0.303 6052 S C -1.448 173.309 174.600 0.261 0.000 1.091 6052 S CA -0.996 57.350 58.200 0.243 0.000 1.057 6052 S CB 1.226 64.519 63.200 0.155 0.000 1.031 6052 S HN 0.663 nan 8.310 nan 0.000 0.485 6053 W N 1.143 122.462 121.300 0.032 0.000 2.936 6053 W HA 0.614 5.281 4.660 0.013 0.000 0.338 6053 W C 0.043 176.569 176.519 0.012 0.000 1.121 6053 W CA -0.791 56.565 57.345 0.018 0.000 1.209 6053 W CB 1.927 31.395 29.460 0.013 0.000 1.420 6053 W HN 0.709 nan 8.180 nan 0.000 0.516 6054 R N 1.963 122.573 120.500 0.183 0.000 2.514 6054 R HA 0.864 5.212 4.340 0.013 0.000 0.301 6054 R C -0.605 175.786 176.300 0.151 0.000 0.962 6054 R CA -0.282 55.890 56.100 0.120 0.000 0.882 6054 R CB 1.219 31.542 30.300 0.040 0.000 1.143 6054 R HN 0.622 nan 8.270 nan 0.000 0.452 6055 A N 2.820 125.709 122.820 0.115 0.000 2.475 6055 A HA 0.527 4.855 4.320 0.013 0.000 0.281 6055 A C -1.459 176.155 177.584 0.051 0.000 1.263 6055 A CA -0.678 51.416 52.037 0.096 0.000 0.776 6055 A CB 1.805 20.863 19.000 0.096 0.000 1.347 6055 A HN 0.736 nan 8.150 nan 0.000 0.443 6056 E N -0.287 119.937 120.200 0.039 0.000 2.263 6056 E HA 0.542 4.900 4.350 0.013 0.000 0.268 6056 E C -2.330 174.279 176.600 0.014 0.000 0.884 6056 E CA -0.515 55.898 56.400 0.022 0.000 0.766 6056 E CB 1.678 31.390 29.700 0.020 0.000 1.196 6056 E HN 0.444 nan 8.360 nan 0.000 0.416 6057 L N 4.704 125.931 121.223 0.007 0.000 2.372 6057 L HA 0.347 4.695 4.340 0.013 0.000 0.274 6057 L C -0.934 175.935 176.870 -0.001 0.000 0.988 6057 L CA -0.013 54.828 54.840 0.002 0.000 0.833 6057 L CB 1.377 43.434 42.059 -0.002 0.000 1.236 6057 L HN 0.651 nan 8.230 nan 0.000 0.410 6058 D N 4.541 124.940 120.400 -0.001 0.000 2.686 6058 D HA -0.201 4.447 4.640 0.013 0.000 0.235 6058 D C 1.089 177.388 176.300 -0.001 0.000 1.160 6058 D CA 1.486 55.485 54.000 -0.002 0.000 0.645 6058 D CB -0.782 40.016 40.800 -0.003 0.000 1.039 6058 D HN 1.159 nan 8.370 nan 0.000 0.423 6059 G N -0.269 108.532 108.800 0.001 0.000 2.179 6059 G HA2 -0.360 3.608 3.960 0.013 0.000 0.257 6059 G HA3 -0.360 3.608 3.960 0.013 0.000 0.257 6059 G C 0.143 175.043 174.900 -0.000 0.000 1.010 6059 G CA 0.900 46.001 45.100 0.001 0.000 0.736 6059 G HN 0.498 nan 8.290 nan 0.000 0.513 6060 K N -0.178 120.222 120.400 -0.001 0.000 2.378 6060 K HA 0.724 5.052 4.320 0.013 0.000 0.252 6060 K C 0.317 176.915 176.600 -0.002 0.000 0.931 6060 K CA -0.225 56.060 56.287 -0.003 0.000 0.794 6060 K CB 2.109 34.605 32.500 -0.007 0.000 1.181 6060 K HN 0.532 nan 8.250 nan 0.000 0.425 6061 A N 2.286 125.104 122.820 -0.003 0.000 2.450 6061 A HA 0.410 4.738 4.320 0.013 0.000 0.255 6061 A C -0.326 177.255 177.584 -0.006 0.000 1.096 6061 A CA -0.156 51.880 52.037 -0.001 0.000 0.778 6061 A CB 0.124 19.122 19.000 -0.003 0.000 1.031 6061 A HN 0.406 nan 8.150 nan 0.000 0.494 6062 V N 4.137 124.054 119.914 0.004 0.000 2.789 6062 V HA 0.403 4.531 4.120 0.013 0.000 0.311 6062 V C -0.474 175.632 176.094 0.020 0.000 1.073 6062 V CA -0.704 61.595 62.300 -0.001 0.000 0.921 6062 V CB 1.853 33.676 31.823 -0.000 0.000 1.009 6062 V HN 0.736 nan 8.190 nan 0.000 0.426 6063 I N 3.581 124.156 120.570 0.009 0.000 2.437 6063 I HA 0.543 4.721 4.170 0.013 0.000 0.298 6063 I C -0.285 175.868 176.117 0.059 0.000 0.984 6063 I CA -0.659 60.666 61.300 0.042 0.000 1.214 6063 I CB 1.868 39.882 38.000 0.022 0.000 1.365 6063 I HN 0.282 nan 8.210 nan 0.000 0.469 6064 V N 4.916 124.896 119.914 0.110 0.000 2.407 6064 V HA 0.417 4.545 4.120 0.013 0.000 0.291 6064 V C -0.429 175.755 176.094 0.150 0.000 1.018 6064 V CA -0.465 61.900 62.300 0.108 0.000 0.842 6064 V CB 1.992 33.866 31.823 0.084 0.000 0.996 6064 V HN 0.908 nan 8.190 nan 0.000 0.426 6065 C N 4.160 123.543 119.300 0.139 0.000 2.551 6065 C HA 0.688 5.156 4.460 0.013 0.000 0.332 6065 C C 0.527 175.622 174.990 0.176 0.000 1.139 6065 C CA -0.220 58.903 59.018 0.175 0.000 1.328 6065 C CB 1.420 29.266 27.740 0.176 0.000 1.903 6065 C HN 0.937 nan 8.230 nan 0.000 0.459 6066 S N 1.849 117.661 115.700 0.186 0.000 2.593 6066 S HA 0.421 4.899 4.470 0.013 0.000 0.269 6066 S C 1.352 176.085 174.600 0.222 0.000 1.334 6066 S CA 0.572 58.860 58.200 0.147 0.000 1.015 6066 S CB 0.943 64.193 63.200 0.084 0.000 0.912 6066 S HN 1.013 nan 8.310 nan 0.000 0.541 6067 T N -0.000 114.632 114.554 0.131 0.000 2.955 6067 T HA 0.518 4.876 4.350 0.013 0.000 0.251 6067 T C 1.044 175.741 174.700 -0.004 0.000 1.002 6067 T CA 0.721 62.918 62.100 0.162 0.000 0.970 6067 T CB -0.498 68.439 68.868 0.115 0.000 1.091 6067 T HN 1.539 nan 8.240 nan 0.000 0.495 6068 G N 1.645 110.398 108.800 -0.078 0.000 2.725 6068 G HA2 -0.101 3.867 3.960 0.013 0.000 0.220 6068 G HA3 -0.101 3.867 3.960 0.013 0.000 0.220 6068 G C -0.657 174.206 174.900 -0.062 0.000 1.357 6068 G CA -0.466 44.560 45.100 -0.123 0.000 0.866 6068 G HN 0.675 nan 8.290 nan 0.000 0.548 6069 I N 2.190 122.720 120.570 -0.067 0.000 2.342 6069 I HA 0.550 4.728 4.170 0.013 0.000 0.291 6069 I C 1.016 177.116 176.117 -0.028 0.000 1.010 6069 I CA 0.932 62.207 61.300 -0.041 0.000 1.308 6069 I CB 0.703 38.672 38.000 -0.051 0.000 1.400 6069 I HN 1.990 nan 8.210 nan 0.000 0.488 6070 G N 3.822 112.614 108.800 -0.012 0.000 2.650 6070 G HA2 -0.059 3.910 3.960 0.013 0.000 0.686 6070 G HA3 -0.059 3.910 3.960 0.013 0.000 0.686 6070 G C 0.490 175.389 174.900 -0.001 0.000 1.205 6070 G CA -0.481 44.615 45.100 -0.007 0.000 0.781 6070 G HN 0.899 nan 8.290 nan 0.000 0.648 6071 G N 0.568 109.365 108.800 -0.004 0.000 2.422 6071 G HA2 0.085 4.053 3.960 0.013 0.000 0.218 6071 G HA3 0.085 4.053 3.960 0.013 0.000 0.218 6071 G C 0.154 175.056 174.900 0.004 0.000 1.146 6071 G CA 2.009 47.107 45.100 -0.003 0.000 0.769 6071 G HN 0.680 nan 8.290 nan 0.000 0.547 6072 P HA -0.169 nan 4.420 nan 0.000 0.215 6072 P C 2.454 179.776 177.300 0.037 0.000 1.163 6072 P CA 2.530 65.629 63.100 -0.001 0.000 0.894 6072 P CB -0.257 31.439 31.700 -0.006 0.000 0.791 6073 S N -2.416 113.320 115.700 0.059 0.000 2.428 6073 S HA -0.085 4.393 4.470 0.013 0.000 0.230 6073 S C 1.879 176.612 174.600 0.222 0.000 1.014 6073 S CA 1.577 59.875 58.200 0.163 0.000 0.957 6073 S CB -1.831 61.406 63.200 0.062 0.000 0.784 6073 S HN 0.098 nan 8.310 nan 0.000 0.499 6074 T N 3.118 117.736 114.554 0.106 0.000 2.746 6074 T HA -0.110 4.248 4.350 0.013 0.000 0.267 6074 T C 2.330 177.034 174.700 0.006 0.000 1.039 6074 T CA 1.824 63.963 62.100 0.064 0.000 1.142 6074 T CB -0.716 68.157 68.868 0.007 0.000 0.866 6074 T HN 0.788 nan 8.240 nan 0.000 0.444 6075 S N 1.267 116.972 115.700 0.009 0.000 2.402 6075 S HA -0.015 4.464 4.470 0.013 0.000 0.229 6075 S C 2.078 176.679 174.600 0.002 0.000 1.021 6075 S CA 0.665 58.870 58.200 0.009 0.000 0.974 6075 S CB -0.755 62.529 63.200 0.140 0.000 0.800 6075 S HN 0.488 nan 8.310 nan 0.000 0.484 6076 I N 2.181 122.740 120.570 -0.018 0.000 2.202 6076 I HA -0.121 4.057 4.170 0.013 0.000 0.242 6076 I C 3.119 179.111 176.117 -0.209 0.000 1.091 6076 I CA 1.145 62.368 61.300 -0.128 0.000 1.368 6076 I CB -0.711 37.126 38.000 -0.272 0.000 1.058 6076 I HN 0.430 nan 8.210 nan 0.000 0.410 6077 A N 0.426 123.125 122.820 -0.203 0.000 1.865 6077 A HA -0.170 4.158 4.320 0.013 0.000 0.217 6077 A C 2.409 179.961 177.584 -0.054 0.000 1.191 6077 A CA 1.961 53.886 52.037 -0.186 0.000 0.623 6077 A CB -1.052 17.990 19.000 0.070 0.000 0.826 6077 A HN 0.242 nan 8.150 nan 0.000 0.444 6078 V N 0.192 120.047 119.914 -0.099 0.000 2.407 6078 V HA -0.228 3.901 4.120 0.013 0.000 0.248 6078 V C 2.615 178.641 176.094 -0.113 0.000 1.055 6078 V CA 2.438 64.586 62.300 -0.252 0.000 1.049 6078 V CB -0.717 30.749 31.823 -0.595 0.000 0.662 6078 V HN 0.778 nan 8.190 nan 0.000 0.455 6079 E N 1.000 121.154 120.200 -0.077 0.000 2.028 6079 E HA -0.221 4.137 4.350 0.013 0.000 0.191 6079 E C 2.095 178.722 176.600 0.044 0.000 0.988 6079 E CA 1.835 58.234 56.400 -0.001 0.000 0.799 6079 E CB -0.321 29.402 29.700 0.039 0.000 0.755 6079 E HN 0.656 nan 8.360 nan 0.000 0.447 6080 E N -0.064 120.149 120.200 0.021 0.000 2.150 6080 E HA -0.101 4.257 4.350 0.013 0.000 0.193 6080 E C 2.221 178.852 176.600 0.052 0.000 0.985 6080 E CA 0.797 57.214 56.400 0.028 0.000 0.814 6080 E CB -0.081 29.611 29.700 -0.014 0.000 0.752 6080 E HN 0.318 nan 8.360 nan 0.000 0.466 6081 L N 0.507 121.787 121.223 0.095 0.000 2.093 6081 L HA -0.131 4.217 4.340 0.013 0.000 0.208 6081 L C 2.557 179.519 176.870 0.153 0.000 1.085 6081 L CA 0.882 55.807 54.840 0.142 0.000 0.755 6081 L CB -0.355 41.862 42.059 0.263 0.000 0.904 6081 L HN 0.128 nan 8.230 nan 0.000 0.435 6082 A N -0.569 122.391 122.820 0.234 0.000 1.930 6082 A HA -0.237 4.091 4.320 0.013 0.000 0.217 6082 A C 2.200 179.840 177.584 0.094 0.000 1.175 6082 A CA 1.369 53.520 52.037 0.190 0.000 0.627 6082 A CB -0.413 18.709 19.000 0.203 0.000 0.815 6082 A HN 0.456 nan 8.150 nan 0.000 0.443 6083 Q N -0.605 119.240 119.800 0.076 0.000 2.135 6083 Q HA -0.088 4.260 4.340 0.013 0.000 0.204 6083 Q C 1.822 177.845 176.000 0.038 0.000 0.981 6083 Q CA 1.377 57.211 55.803 0.051 0.000 0.856 6083 Q CB -0.275 28.492 28.738 0.047 0.000 0.902 6083 Q HN 0.681 nan 8.270 nan 0.000 0.425 6084 L N -1.710 119.536 121.223 0.037 0.000 2.418 6084 L HA 0.071 4.419 4.340 0.013 0.000 0.218 6084 L C 1.329 178.205 176.870 0.009 0.000 1.125 6084 L CA 0.732 55.585 54.840 0.021 0.000 0.835 6084 L CB 0.280 42.351 42.059 0.020 0.000 0.953 6084 L HN 0.445 nan 8.230 nan 0.000 0.454 6085 G N -0.949 107.857 108.800 0.009 0.000 2.425 6085 G HA2 -0.121 3.847 3.960 0.013 0.000 0.177 6085 G HA3 -0.121 3.847 3.960 0.013 0.000 0.177 6085 G C 0.166 175.042 174.900 -0.041 0.000 0.999 6085 G CA -0.731 44.364 45.100 -0.009 0.000 0.723 6085 G HN -0.003 nan 8.290 nan 0.000 0.491 6086 I N 1.551 122.079 120.570 -0.071 0.000 2.556 6086 I HA 0.375 4.553 4.170 0.013 0.000 0.284 6086 I C 1.189 177.187 176.117 -0.198 0.000 1.114 6086 I CA 0.135 61.301 61.300 -0.224 0.000 1.418 6086 I CB 1.047 38.792 38.000 -0.424 0.000 1.394 6086 I HN 0.080 nan 8.210 nan 0.000 0.552 6087 R N 2.914 123.281 120.500 -0.221 0.000 2.469 6087 R HA 0.194 4.542 4.340 0.013 0.000 0.250 6087 R C -0.208 176.049 176.300 -0.072 0.000 0.909 6087 R CA 0.222 56.281 56.100 -0.067 0.000 1.050 6087 R CB 0.571 30.857 30.300 -0.024 0.000 1.256 6087 R HN 0.535 nan 8.270 nan 0.000 0.550 6088 T N 1.339 115.737 114.554 -0.261 0.000 2.841 6088 T HA 0.590 4.948 4.350 0.013 0.000 0.285 6088 T C -0.963 173.530 174.700 -0.345 0.000 0.991 6088 T CA -0.302 61.706 62.100 -0.153 0.000 0.966 6088 T CB 1.276 70.093 68.868 -0.085 0.000 0.962 6088 T HN -0.171 nan 8.240 nan 0.000 0.438 6089 F N 2.394 122.342 119.950 -0.003 0.000 2.507 6089 F HA 0.619 5.155 4.527 0.016 0.000 0.325 6089 F C -0.307 175.491 175.800 -0.003 0.000 1.116 6089 F CA -1.128 56.870 58.000 -0.003 0.000 0.930 6089 F CB 1.475 40.468 39.000 -0.011 0.000 1.146 6089 F HN 0.231 nan 8.300 nan 0.000 0.447 6090 L N 3.912 125.226 121.223 0.151 0.000 2.343 6090 L HA 0.540 4.888 4.340 0.013 0.000 0.278 6090 L C -0.235 176.689 176.870 0.090 0.000 0.996 6090 L CA -0.718 54.177 54.840 0.092 0.000 0.831 6090 L CB 1.909 43.993 42.059 0.042 0.000 1.232 6090 L HN 0.585 nan 8.230 nan 0.000 0.413 6091 R N 3.267 123.812 120.500 0.075 0.000 2.349 6091 R HA 0.610 4.958 4.340 0.013 0.000 0.299 6091 R C -1.028 175.293 176.300 0.036 0.000 1.027 6091 R CA -0.472 55.662 56.100 0.057 0.000 0.958 6091 R CB 1.338 31.662 30.300 0.041 0.000 1.047 6091 R HN 0.587 nan 8.270 nan 0.000 0.468 6092 I N 3.822 124.412 120.570 0.032 0.000 2.436 6092 I HA 0.651 4.829 4.170 0.013 0.000 0.289 6092 I C -0.648 175.479 176.117 0.017 0.000 1.010 6092 I CA -0.031 61.281 61.300 0.021 0.000 1.098 6092 I CB 1.856 39.865 38.000 0.014 0.000 1.266 6092 I HN 0.776 nan 8.210 nan 0.000 0.434 6093 G N 3.990 112.799 108.800 0.015 0.000 2.975 6093 G HA2 0.707 4.675 3.960 0.013 0.000 0.291 6093 G HA3 0.707 4.675 3.960 0.013 0.000 0.291 6093 G C -1.045 173.863 174.900 0.015 0.000 1.334 6093 G CA -0.124 44.984 45.100 0.013 0.000 0.843 6093 G HN 0.643 nan 8.290 nan 0.000 0.548 6094 T N -3.186 111.379 114.554 0.018 0.000 2.930 6094 T HA 0.770 5.129 4.350 0.013 0.000 0.290 6094 T C -0.540 174.176 174.700 0.028 0.000 1.052 6094 T CA -0.603 61.511 62.100 0.022 0.000 1.017 6094 T CB 2.111 70.994 68.868 0.025 0.000 1.137 6094 T HN 0.921 nan 8.240 nan 0.000 0.511 6095 T N -0.732 113.837 114.554 0.026 0.000 2.853 6095 T HA 0.653 5.011 4.350 0.013 0.000 0.311 6095 T C -0.683 174.026 174.700 0.016 0.000 1.307 6095 T CA -0.403 61.709 62.100 0.021 0.000 1.019 6095 T CB 1.339 70.211 68.868 0.005 0.000 1.264 6095 T HN 1.191 nan 8.240 nan 0.000 0.497 6096 G N 1.691 110.502 108.800 0.019 0.000 2.384 6096 G HA2 0.638 4.606 3.960 0.013 0.000 0.316 6096 G HA3 0.638 4.606 3.960 0.013 0.000 0.316 6096 G C 0.011 174.909 174.900 -0.003 0.000 1.160 6096 G CA -0.208 44.901 45.100 0.015 0.000 0.936 6096 G HN 0.965 nan 8.290 nan 0.000 0.455 6097 A N 2.352 125.146 122.820 -0.044 0.000 2.388 6097 A HA 0.536 4.864 4.320 0.013 0.000 0.257 6097 A C 1.062 178.589 177.584 -0.095 0.000 1.095 6097 A CA -0.402 51.574 52.037 -0.103 0.000 0.791 6097 A CB 0.225 19.138 19.000 -0.145 0.000 1.029 6097 A HN 1.302 nan 8.150 nan 0.000 0.489 6098 I N -1.962 118.523 120.570 -0.141 0.000 4.081 6098 I HA 0.259 4.437 4.170 0.013 0.000 0.333 6098 I C -0.200 175.858 176.117 -0.098 0.000 1.413 6098 I CA -0.338 60.897 61.300 -0.108 0.000 1.110 6098 I CB 0.207 38.106 38.000 -0.168 0.000 1.082 6098 I HN 0.340 nan 8.210 nan 0.000 0.402 6099 Q N 1.923 121.626 119.800 -0.161 0.000 2.274 6099 Q HA 0.407 4.755 4.340 0.013 0.000 0.260 6099 Q C -1.962 173.924 176.000 -0.189 0.000 0.974 6099 Q CA -1.955 53.748 55.803 -0.167 0.000 0.876 6099 Q CB 1.919 30.495 28.738 -0.270 0.000 1.297 6099 Q HN -0.025 nan 8.270 nan 0.000 0.446 6100 P HA -0.148 nan 4.420 nan 0.000 0.220 6100 P C 0.885 178.170 177.300 -0.025 0.000 1.148 6100 P CA 1.405 64.493 63.100 -0.020 0.000 0.803 6100 P CB 0.111 31.837 31.700 0.043 0.000 0.782 6101 H N -1.591 117.449 119.070 -0.051 0.000 2.544 6101 H HA 0.166 4.730 4.556 0.013 0.000 0.269 6101 H C 0.629 175.917 175.328 -0.067 0.000 0.970 6101 H CA -0.102 55.923 56.048 -0.039 0.000 1.219 6101 H CB -0.660 29.092 29.762 -0.016 0.000 1.421 6101 H HN 0.115 nan 8.280 nan 0.000 0.555 6102 I N 3.016 123.249 120.570 -0.562 0.000 2.471 6102 I HA -0.032 4.146 4.170 0.013 0.000 0.286 6102 I C 0.334 176.348 176.117 -0.172 0.000 1.079 6102 I CA -0.164 60.860 61.300 -0.460 0.000 1.398 6102 I CB 0.498 38.119 38.000 -0.631 0.000 1.403 6102 I HN 0.115 nan 8.210 nan 0.000 0.530 6103 N N 5.292 123.961 118.700 -0.053 0.000 2.487 6103 N HA 0.242 4.990 4.740 0.013 0.000 0.292 6103 N C -0.708 174.795 175.510 -0.013 0.000 1.108 6103 N CA -0.467 52.574 53.050 -0.015 0.000 0.956 6103 N CB 1.443 39.942 38.487 0.019 0.000 1.176 6103 N HN 0.252 nan 8.380 nan 0.000 0.484 6104 V N 2.564 122.472 119.914 -0.010 0.000 2.557 6104 V HA 0.245 4.373 4.120 0.013 0.000 0.301 6104 V C 1.544 177.640 176.094 0.004 0.000 1.026 6104 V CA 1.613 63.911 62.300 -0.002 0.000 1.137 6104 V CB 0.029 31.855 31.823 0.004 0.000 0.917 6104 V HN 1.021 nan 8.190 nan 0.000 0.484 6105 G N 3.826 112.630 108.800 0.008 0.000 2.194 6105 G HA2 -0.179 3.789 3.960 0.013 0.000 0.236 6105 G HA3 -0.179 3.789 3.960 0.013 0.000 0.236 6105 G C -0.064 174.829 174.900 -0.011 0.000 0.987 6105 G CA -0.013 45.092 45.100 0.007 0.000 0.635 6105 G HN 0.668 nan 8.290 nan 0.000 0.520 6106 D N 0.286 120.691 120.400 0.008 0.000 2.372 6106 D HA 0.462 5.110 4.640 0.013 0.000 0.243 6106 D C 0.610 176.939 176.300 0.048 0.000 1.121 6106 D CA 0.078 54.101 54.000 0.038 0.000 0.898 6106 D CB 1.699 42.590 40.800 0.152 0.000 1.202 6106 D HN 0.176 nan 8.370 nan 0.000 0.428 6107 V N 2.801 122.739 119.914 0.040 0.000 2.394 6107 V HA 0.256 4.384 4.120 0.013 0.000 0.282 6107 V C -0.205 175.929 176.094 0.067 0.000 1.031 6107 V CA -0.720 61.604 62.300 0.039 0.000 0.881 6107 V CB 1.242 33.075 31.823 0.018 0.000 0.982 6107 V HN 0.264 nan 8.190 nan 0.000 0.451 6108 L N 5.964 127.221 121.223 0.057 0.000 2.305 6108 L HA 0.534 4.882 4.340 0.013 0.000 0.284 6108 L C -0.169 176.719 176.870 0.030 0.000 1.013 6108 L CA -0.091 54.785 54.840 0.060 0.000 0.819 6108 L CB 1.879 43.959 42.059 0.036 0.000 1.227 6108 L HN 0.403 nan 8.230 nan 0.000 0.417 6109 V N 2.434 122.364 119.914 0.028 0.000 2.370 6109 V HA 0.427 4.555 4.120 0.013 0.000 0.279 6109 V C 0.276 176.375 176.094 0.008 0.000 1.029 6109 V CA -0.565 61.741 62.300 0.010 0.000 0.870 6109 V CB 1.533 33.354 31.823 -0.004 0.000 0.984 6109 V HN 0.761 nan 8.190 nan 0.000 0.451 6110 T N 3.547 118.102 114.554 0.002 0.000 2.743 6110 T HA 0.205 4.563 4.350 0.013 0.000 0.293 6110 T C 1.340 176.041 174.700 0.003 0.000 0.945 6110 T CA 0.153 62.252 62.100 -0.002 0.000 1.030 6110 T CB 1.229 70.092 68.868 -0.008 0.000 0.912 6110 T HN 0.955 nan 8.240 nan 0.000 0.483 6111 T N 0.847 115.406 114.554 0.008 0.000 2.894 6111 T HA 0.449 4.807 4.350 0.013 0.000 0.258 6111 T C 0.772 175.484 174.700 0.019 0.000 1.043 6111 T CA 0.311 62.423 62.100 0.020 0.000 1.141 6111 T CB 0.140 69.026 68.868 0.030 0.000 0.873 6111 T HN 0.747 nan 8.240 nan 0.000 0.449 6112 A N 0.046 122.869 122.820 0.005 0.000 2.610 6112 A HA 0.703 5.031 4.320 0.013 0.000 0.291 6112 A C -1.050 176.520 177.584 -0.023 0.000 1.086 6112 A CA -0.860 51.177 52.037 -0.001 0.000 0.677 6112 A CB 1.447 20.448 19.000 0.001 0.000 1.278 6112 A HN 0.240 nan 8.150 nan 0.000 0.414 6113 S N -0.293 115.392 115.700 -0.026 0.000 2.513 6113 S HA 0.572 5.050 4.470 0.013 0.000 0.299 6113 S C -0.462 174.090 174.600 -0.080 0.000 1.087 6113 S CA -0.562 57.603 58.200 -0.058 0.000 1.012 6113 S CB 1.687 64.862 63.200 -0.042 0.000 1.044 6113 S HN 0.839 nan 8.310 nan 0.000 0.485 6114 V N 3.379 123.196 119.914 -0.162 0.000 2.446 6114 V HA 0.159 4.287 4.120 0.013 0.000 0.276 6114 V C 0.687 176.701 176.094 -0.133 0.000 1.030 6114 V CA 0.008 62.175 62.300 -0.221 0.000 1.033 6114 V CB -0.196 31.300 31.823 -0.545 0.000 0.993 6114 V HN 0.700 nan 8.190 nan 0.000 0.477 6115 R N 5.319 125.791 120.500 -0.047 0.000 3.268 6115 R HA 0.269 4.617 4.340 0.013 0.000 0.217 6115 R C 0.077 176.406 176.300 0.048 0.000 1.568 6115 R CA -0.084 56.025 56.100 0.014 0.000 1.322 6115 R CB -0.073 30.259 30.300 0.054 0.000 1.280 6115 R HN 0.671 nan 8.270 nan 0.000 0.667 6116 L N 2.021 123.273 121.223 0.049 0.000 2.851 6116 L HA 0.131 4.479 4.340 0.013 0.000 0.237 6116 L C 0.294 177.238 176.870 0.124 0.000 1.257 6116 L CA -0.234 54.693 54.840 0.146 0.000 1.061 6116 L CB -0.654 41.531 42.059 0.211 0.000 1.372 6116 L HN 0.480 nan 8.230 nan 0.000 0.493 6117 D N -1.432 119.019 120.400 0.084 0.000 2.497 6117 D HA 0.313 4.961 4.640 0.013 0.000 0.243 6117 D C 0.675 177.016 176.300 0.069 0.000 1.039 6117 D CA -0.406 53.631 54.000 0.062 0.000 1.052 6117 D CB 2.029 42.849 40.800 0.033 0.000 1.344 6117 D HN -0.065 nan 8.370 nan 0.000 0.553 6118 G N -1.035 107.789 108.800 0.040 0.000 2.743 6118 G HA2 0.231 4.199 3.960 0.013 0.000 0.206 6118 G HA3 0.231 4.199 3.960 0.013 0.000 0.206 6118 G C 1.260 176.142 174.900 -0.030 0.000 1.115 6118 G CA 0.596 45.721 45.100 0.041 0.000 0.782 6118 G HN 0.610 nan 8.290 nan 0.000 0.524 6119 A N 1.734 124.486 122.820 -0.113 0.000 1.969 6119 A HA 0.016 4.344 4.320 0.013 0.000 0.218 6119 A C 2.666 180.276 177.584 0.044 0.000 1.169 6119 A CA 2.294 54.192 52.037 -0.231 0.000 0.635 6119 A CB -0.662 18.269 19.000 -0.115 0.000 0.810 6119 A HN 0.704 nan 8.150 nan 0.000 0.445 6120 S N 0.254 116.028 115.700 0.124 0.000 2.419 6120 S HA -0.105 4.373 4.470 0.013 0.000 0.235 6120 S C 1.660 176.393 174.600 0.222 0.000 1.019 6120 S CA 1.437 59.764 58.200 0.211 0.000 0.982 6120 S CB -0.745 62.530 63.200 0.124 0.000 0.789 6120 S HN 0.451 nan 8.310 nan 0.000 0.490 6121 L N 0.727 122.060 121.223 0.184 0.000 2.549 6121 L HA 0.032 4.380 4.340 0.013 0.000 0.229 6121 L C 2.096 179.056 176.870 0.151 0.000 1.158 6121 L CA 0.908 55.849 54.840 0.169 0.000 0.842 6121 L CB -0.660 41.498 42.059 0.164 0.000 0.952 6121 L HN 0.509 nan 8.230 nan 0.000 0.452 6122 H N -1.864 117.126 119.070 -0.133 0.000 2.539 6122 H HA 0.061 4.624 4.556 0.010 0.000 0.267 6122 H C 1.089 175.996 175.328 -0.701 0.000 0.982 6122 H CA 0.393 56.197 56.048 -0.406 0.000 1.146 6122 H CB 0.469 29.920 29.762 -0.518 0.000 1.382 6122 H HN 0.354 nan 8.280 nan 0.000 0.577 6123 F N -0.399 119.567 119.950 0.027 0.000 2.729 6123 F HA 0.433 4.968 4.527 0.014 0.000 0.304 6123 F C 0.764 176.470 175.800 -0.157 0.000 1.008 6123 F CA -0.117 57.840 58.000 -0.072 0.000 1.188 6123 F CB 1.074 40.014 39.000 -0.101 0.000 0.980 6123 F HN -0.042 nan 8.300 nan 0.000 0.627 6124 A N 0.687 123.521 122.820 0.024 0.000 2.547 6124 A HA 0.654 4.982 4.320 0.013 0.000 0.297 6124 A C -2.815 174.789 177.584 0.034 0.000 1.056 6124 A CA -1.442 50.544 52.037 -0.084 0.000 0.688 6124 A CB 0.804 19.570 19.000 -0.389 0.000 1.282 6124 A HN -0.170 nan 8.150 nan 0.000 0.400 6125 P HA 0.144 nan 4.420 nan 0.000 0.272 6125 P C 0.831 178.209 177.300 0.129 0.000 1.240 6125 P CA -0.287 62.863 63.100 0.084 0.000 0.791 6125 P CB 0.475 32.221 31.700 0.075 0.000 0.978 6126 M N 0.955 120.619 119.600 0.107 0.000 2.267 6126 M HA -0.181 4.308 4.480 0.013 0.000 0.263 6126 M C 1.482 177.855 176.300 0.123 0.000 1.063 6126 M CA 1.887 57.254 55.300 0.112 0.000 1.090 6126 M CB -1.220 31.431 32.600 0.086 0.000 1.392 6126 M HN 0.287 nan 8.290 nan 0.000 0.422 6127 E N -0.647 119.625 120.200 0.121 0.000 2.118 6127 E HA -0.116 4.242 4.350 0.013 0.000 0.195 6127 E C 0.279 176.953 176.600 0.124 0.000 0.992 6127 E CA 0.798 57.260 56.400 0.104 0.000 0.804 6127 E CB -0.474 29.281 29.700 0.091 0.000 0.741 6127 E HN 0.488 nan 8.360 nan 0.000 0.458 6128 F N 2.527 122.498 119.950 0.036 0.000 2.543 6128 F HA 0.134 4.666 4.527 0.008 0.000 0.375 6128 F C -1.949 173.870 175.800 0.032 0.000 1.075 6128 F CA -2.805 55.216 58.000 0.035 0.000 1.225 6128 F CB 0.470 39.497 39.000 0.045 0.000 1.099 6128 F HN -0.103 nan 8.300 nan 0.000 0.561 6129 P HA 0.150 nan 4.420 nan 0.000 0.275 6129 P C -1.261 176.112 177.300 0.122 0.000 1.227 6129 P CA -0.424 62.653 63.100 -0.039 0.000 0.781 6129 P CB 1.168 32.769 31.700 -0.165 0.000 0.906 6130 A N 3.695 126.580 122.820 0.109 0.000 3.056 6130 A HA 0.294 4.622 4.320 0.013 0.000 0.274 6130 A C 0.169 177.791 177.584 0.062 0.000 1.661 6130 A CA -0.385 51.717 52.037 0.108 0.000 1.363 6130 A CB -0.869 18.170 19.000 0.065 0.000 1.139 6130 A HN 0.457 nan 8.150 nan 0.000 0.598 6131 V N 1.850 121.807 119.914 0.073 0.000 2.532 6131 V HA 0.711 4.839 4.120 0.013 0.000 0.295 6131 V C 0.625 176.756 176.094 0.061 0.000 1.041 6131 V CA -0.240 62.087 62.300 0.046 0.000 0.926 6131 V CB 1.401 33.233 31.823 0.016 0.000 0.992 6131 V HN 0.917 nan 8.190 nan 0.000 0.457 6132 A N 4.253 127.104 122.820 0.052 0.000 2.366 6132 A HA 0.373 4.702 4.320 0.013 0.000 0.249 6132 A C 0.080 177.712 177.584 0.080 0.000 1.084 6132 A CA -0.149 51.921 52.037 0.055 0.000 0.794 6132 A CB 0.120 19.141 19.000 0.036 0.000 1.034 6132 A HN 1.039 nan 8.150 nan 0.000 0.491 6133 D N 0.098 120.546 120.400 0.081 0.000 2.424 6133 D HA 0.111 4.759 4.640 0.013 0.000 0.244 6133 D C 0.625 176.994 176.300 0.116 0.000 1.134 6133 D CA 0.007 54.070 54.000 0.105 0.000 0.881 6133 D CB 0.154 41.008 40.800 0.090 0.000 1.191 6133 D HN 0.388 nan 8.370 nan 0.000 0.445 6134 F N 3.991 123.952 119.950 0.019 0.000 2.186 6134 F HA -0.065 4.470 4.527 0.012 0.000 0.299 6134 F C 2.023 177.831 175.800 0.013 0.000 1.090 6134 F CA 1.569 59.577 58.000 0.013 0.000 1.307 6134 F CB -0.195 38.811 39.000 0.009 0.000 1.019 6134 F HN 0.500 nan 8.300 nan 0.000 0.489 6135 A N -0.700 122.155 122.820 0.058 0.000 1.930 6135 A HA -0.182 4.146 4.320 0.013 0.000 0.217 6135 A C 2.297 179.827 177.584 -0.090 0.000 1.175 6135 A CA 1.688 53.706 52.037 -0.032 0.000 0.627 6135 A CB -1.622 17.413 19.000 0.057 0.000 0.815 6135 A HN 0.550 nan 8.150 nan 0.000 0.443 6136 C N -1.103 118.169 119.300 -0.046 0.000 2.446 6136 C HA -0.045 4.423 4.460 0.013 0.000 0.277 6136 C C 3.013 177.954 174.990 -0.082 0.000 1.275 6136 C CA 1.410 60.404 59.018 -0.041 0.000 1.727 6136 C CB -1.436 26.307 27.740 0.005 0.000 2.010 6136 C HN 0.642 nan 8.230 nan 0.000 0.486 6137 T N 0.820 115.301 114.554 -0.122 0.000 2.708 6137 T HA -0.159 4.199 4.350 0.013 0.000 0.266 6137 T C 1.818 176.386 174.700 -0.219 0.000 1.037 6137 T CA 2.156 64.167 62.100 -0.149 0.000 1.146 6137 T CB -0.594 68.187 68.868 -0.145 0.000 0.865 6137 T HN 0.576 nan 8.240 nan 0.000 0.435 6138 T N 2.187 116.517 114.554 -0.373 0.000 2.684 6138 T HA -0.100 4.258 4.350 0.013 0.000 0.267 6138 T C 2.421 177.015 174.700 -0.177 0.000 1.036 6138 T CA 1.329 63.219 62.100 -0.350 0.000 1.148 6138 T CB -0.669 67.914 68.868 -0.476 0.000 0.863 6138 T HN 0.451 nan 8.240 nan 0.000 0.436 6139 A N 1.033 123.772 122.820 -0.136 0.000 1.908 6139 A HA -0.028 4.300 4.320 0.013 0.000 0.218 6139 A C 2.328 179.875 177.584 -0.062 0.000 1.181 6139 A CA 1.353 53.343 52.037 -0.078 0.000 0.627 6139 A CB -0.877 18.089 19.000 -0.056 0.000 0.818 6139 A HN 0.483 nan 8.150 nan 0.000 0.445 6140 L N -0.792 120.392 121.223 -0.064 0.000 2.056 6140 L HA -0.133 4.215 4.340 0.013 0.000 0.207 6140 L C 2.521 179.364 176.870 -0.044 0.000 1.078 6140 L CA 0.895 55.709 54.840 -0.043 0.000 0.749 6140 L CB -0.426 41.612 42.059 -0.035 0.000 0.901 6140 L HN 0.248 nan 8.230 nan 0.000 0.433 6141 V N -0.300 119.576 119.914 -0.065 0.000 2.307 6141 V HA -0.253 3.875 4.120 0.013 0.000 0.245 6141 V C 2.316 178.380 176.094 -0.049 0.000 1.045 6141 V CA 1.749 64.014 62.300 -0.058 0.000 1.024 6141 V CB -0.395 31.383 31.823 -0.076 0.000 0.651 6141 V HN 0.436 nan 8.190 nan 0.000 0.449 6142 E N 0.079 120.246 120.200 -0.055 0.000 2.150 6142 E HA -0.134 4.224 4.350 0.013 0.000 0.193 6142 E C 2.285 178.868 176.600 -0.028 0.000 0.985 6142 E CA 1.132 57.508 56.400 -0.040 0.000 0.814 6142 E CB -0.267 29.407 29.700 -0.044 0.000 0.752 6142 E HN 0.599 nan 8.360 nan 0.000 0.466 6143 A N 1.350 124.154 122.820 -0.027 0.000 1.930 6143 A HA -0.054 4.274 4.320 0.013 0.000 0.217 6143 A C 2.361 179.941 177.584 -0.006 0.000 1.175 6143 A CA 1.465 53.492 52.037 -0.016 0.000 0.627 6143 A CB -0.477 18.513 19.000 -0.016 0.000 0.815 6143 A HN 0.284 nan 8.150 nan 0.000 0.443 6144 A N -0.368 122.447 122.820 -0.009 0.000 1.930 6144 A HA -0.135 4.193 4.320 0.013 0.000 0.217 6144 A C 2.112 179.693 177.584 -0.005 0.000 1.175 6144 A CA 1.867 53.904 52.037 -0.001 0.000 0.627 6144 A CB -0.387 18.605 19.000 -0.014 0.000 0.815 6144 A HN 0.517 nan 8.150 nan 0.000 0.443 6145 K N -0.186 120.205 120.400 -0.015 0.000 2.148 6145 K HA -0.061 4.267 4.320 0.013 0.000 0.204 6145 K C 2.069 178.666 176.600 -0.006 0.000 1.050 6145 K CA 1.286 57.563 56.287 -0.016 0.000 0.942 6145 K CB -0.086 32.401 32.500 -0.021 0.000 0.724 6145 K HN 0.453 nan 8.250 nan 0.000 0.446 6146 S N 0.960 116.658 115.700 -0.003 0.000 2.402 6146 S HA -0.055 4.423 4.470 0.013 0.000 0.229 6146 S C 1.710 176.316 174.600 0.011 0.000 1.021 6146 S CA 0.771 58.972 58.200 0.001 0.000 0.974 6146 S CB -0.047 63.151 63.200 -0.003 0.000 0.800 6146 S HN 0.249 nan 8.310 nan 0.000 0.484 6147 I N 0.446 121.030 120.570 0.024 0.000 2.500 6147 I HA 0.079 4.257 4.170 0.013 0.000 0.252 6147 I C 1.937 178.096 176.117 0.070 0.000 1.142 6147 I CA 1.142 62.474 61.300 0.053 0.000 1.451 6147 I CB -1.814 36.241 38.000 0.092 0.000 1.093 6147 I HN 0.446 nan 8.210 nan 0.000 0.430 6148 G N 1.427 110.251 108.800 0.039 0.000 2.142 6148 G HA2 -0.144 3.824 3.960 0.013 0.000 0.225 6148 G HA3 -0.144 3.824 3.960 0.013 0.000 0.225 6148 G C 0.449 175.343 174.900 -0.011 0.000 1.015 6148 G CA 0.194 45.303 45.100 0.015 0.000 0.716 6148 G HN 0.697 nan 8.290 nan 0.000 0.508 6149 A N -0.048 122.759 122.820 -0.021 0.000 2.351 6149 A HA 0.717 5.045 4.320 0.013 0.000 0.257 6149 A C 0.940 178.441 177.584 -0.138 0.000 1.087 6149 A CA 0.759 52.712 52.037 -0.141 0.000 0.798 6149 A CB 0.360 19.298 19.000 -0.103 0.000 1.033 6149 A HN 0.940 nan 8.150 nan 0.000 0.488 6150 T N 2.876 117.327 114.554 -0.171 0.000 2.761 6150 T HA 0.351 4.709 4.350 0.013 0.000 0.287 6150 T C 0.144 174.713 174.700 -0.219 0.000 0.931 6150 T CA 0.619 62.618 62.100 -0.169 0.000 1.164 6150 T CB -0.413 68.393 68.868 -0.103 0.000 0.876 6150 T HN 0.616 nan 8.240 nan 0.000 0.534 6151 T N 4.621 118.991 114.554 -0.307 0.000 2.829 6151 T HA 0.407 4.765 4.350 0.013 0.000 0.280 6151 T C -0.493 173.926 174.700 -0.468 0.000 0.999 6151 T CA -0.812 61.131 62.100 -0.262 0.000 0.983 6151 T CB 0.943 69.735 68.868 -0.127 0.000 0.968 6151 T HN 0.554 nan 8.240 nan 0.000 0.446 6152 H N 0.992 120.064 119.070 0.003 0.000 2.589 6152 H HA 0.539 5.103 4.556 0.014 0.000 0.351 6152 H C -1.082 174.249 175.328 0.006 0.000 1.074 6152 H CA -0.560 55.499 56.048 0.019 0.000 1.203 6152 H CB 1.833 31.610 29.762 0.025 0.000 1.558 6152 H HN 0.280 nan 8.280 nan 0.000 0.522 6153 V N 2.228 122.208 119.914 0.109 0.000 2.448 6153 V HA 0.742 4.870 4.120 0.013 0.000 0.295 6153 V C 0.541 176.670 176.094 0.058 0.000 1.025 6153 V CA -0.232 62.102 62.300 0.058 0.000 0.859 6153 V CB 1.399 33.238 31.823 0.027 0.000 0.988 6153 V HN 1.101 nan 8.190 nan 0.000 0.431 6154 G N 3.105 111.927 108.800 0.037 0.000 2.399 6154 G HA2 0.393 4.361 3.960 0.013 0.000 0.256 6154 G HA3 0.393 4.361 3.960 0.013 0.000 0.256 6154 G C -1.360 173.542 174.900 0.003 0.000 1.236 6154 G CA -0.340 44.776 45.100 0.026 0.000 0.914 6154 G HN 0.541 nan 8.290 nan 0.000 0.482 6155 V N 0.704 120.612 119.914 -0.011 0.000 2.644 6155 V HA 0.678 4.807 4.120 0.013 0.000 0.295 6155 V C 0.220 176.268 176.094 -0.076 0.000 1.053 6155 V CA -0.087 62.189 62.300 -0.040 0.000 0.987 6155 V CB 1.394 33.193 31.823 -0.040 0.000 1.006 6155 V HN 0.790 nan 8.190 nan 0.000 0.472 6156 T N 3.020 117.515 114.554 -0.099 0.000 2.861 6156 T HA 0.648 5.006 4.350 0.013 0.000 0.287 6156 T C -0.171 174.415 174.700 -0.191 0.000 1.003 6156 T CA -0.304 61.718 62.100 -0.130 0.000 0.977 6156 T CB 1.650 70.471 68.868 -0.078 0.000 0.996 6156 T HN 0.939 nan 8.240 nan 0.000 0.448 6157 A N 2.241 124.899 122.820 -0.271 0.000 2.309 6157 A HA 0.632 4.960 4.320 0.013 0.000 0.290 6157 A C 0.383 177.911 177.584 -0.094 0.000 1.206 6157 A CA -0.452 51.391 52.037 -0.322 0.000 0.850 6157 A CB 0.382 19.033 19.000 -0.581 0.000 1.118 6157 A HN 0.638 nan 8.150 nan 0.000 0.523 6158 S N 2.131 117.780 115.700 -0.085 0.000 2.520 6158 S HA 0.495 4.973 4.470 0.013 0.000 0.324 6158 S C -0.052 174.541 174.600 -0.013 0.000 1.069 6158 S CA -0.331 57.852 58.200 -0.028 0.000 1.121 6158 S CB 0.288 63.469 63.200 -0.031 0.000 0.971 6158 S HN 0.981 nan 8.310 nan 0.000 0.463 6159 S N 3.234 118.920 115.700 -0.023 0.000 2.525 6159 S HA 0.349 4.827 4.470 0.013 0.000 0.290 6159 S C 0.506 175.070 174.600 -0.061 0.000 1.152 6159 S CA -0.581 57.581 58.200 -0.065 0.000 1.072 6159 S CB 1.141 64.219 63.200 -0.202 0.000 1.027 6159 S HN 0.698 nan 8.310 nan 0.000 0.500 6160 D N 1.903 122.280 120.400 -0.039 0.000 2.371 6160 D HA 0.107 4.755 4.640 0.013 0.000 0.221 6160 D C 0.681 176.958 176.300 -0.038 0.000 0.986 6160 D CA 0.794 54.781 54.000 -0.021 0.000 0.899 6160 D CB 0.158 40.967 40.800 0.015 0.000 0.902 6160 D HN 0.722 nan 8.370 nan 0.000 0.530 6161 T N -4.065 110.430 114.554 -0.099 0.000 2.906 6161 T HA 0.278 4.636 4.350 0.013 0.000 0.295 6161 T C 0.530 175.151 174.700 -0.132 0.000 1.061 6161 T CA -0.872 61.181 62.100 -0.078 0.000 1.000 6161 T CB 1.198 70.014 68.868 -0.088 0.000 1.103 6161 T HN -0.145 nan 8.240 nan 0.000 0.486 6162 F N 0.247 120.046 119.950 -0.251 0.000 2.293 6162 F HA 0.167 4.702 4.527 0.013 0.000 0.297 6162 F C 1.058 176.512 175.800 -0.575 0.000 1.089 6162 F CA 0.889 58.621 58.000 -0.447 0.000 1.377 6162 F CB -0.087 38.574 39.000 -0.566 0.000 1.051 6162 F HN 0.680 nan 8.300 nan 0.000 0.511 6163 Y N -0.102 120.147 120.300 -0.085 0.000 2.269 6163 Y HA 0.189 4.746 4.550 0.012 0.000 0.279 6163 Y C -0.558 175.166 175.900 -0.293 0.000 1.118 6163 Y CA 0.315 58.322 58.100 -0.155 0.000 1.145 6163 Y CB -2.021 36.434 38.460 -0.007 0.000 1.081 6163 Y HN -0.172 nan 8.280 nan 0.000 0.501 6164 P HA -0.060 nan 4.420 nan 0.000 0.216 6164 P C 1.588 178.586 177.300 -0.505 0.000 1.153 6164 P CA 2.135 65.101 63.100 -0.224 0.000 0.844 6164 P CB -0.241 31.392 31.700 -0.110 0.000 0.787 6165 G N -0.449 107.916 108.800 -0.725 0.000 2.559 6165 G HA2 -0.200 3.768 3.960 0.013 0.000 0.216 6165 G HA3 -0.200 3.768 3.960 0.013 0.000 0.216 6165 G C 1.190 175.569 174.900 -0.869 0.000 1.126 6165 G CA 0.337 44.664 45.100 -1.288 0.000 0.778 6165 G HN 0.353 nan 8.290 nan 0.000 0.543 6166 Q N -0.607 118.719 119.800 -0.790 0.000 2.172 6166 Q HA 0.205 4.553 4.340 0.013 0.000 0.217 6166 Q C 0.010 175.632 176.000 -0.630 0.000 0.832 6166 Q CA -0.293 54.805 55.803 -1.174 0.000 1.010 6166 Q CB 0.534 28.468 28.738 -1.339 0.000 1.133 6166 Q HN 0.567 nan 8.270 nan 0.000 0.489 6167 E N 1.696 121.669 120.200 -0.379 0.000 2.269 6167 E HA -0.233 4.125 4.350 0.013 0.000 0.223 6167 E C -0.924 175.492 176.600 -0.307 0.000 1.244 6167 E CA 0.160 56.397 56.400 -0.272 0.000 0.713 6167 E CB -0.352 29.344 29.700 -0.008 0.000 1.178 6167 E HN 0.341 nan 8.360 nan 0.000 0.370 6168 R N 0.109 120.423 120.500 -0.311 0.000 2.265 6168 R HA 0.193 4.541 4.340 0.013 0.000 0.314 6168 R C 0.348 176.531 176.300 -0.196 0.000 1.053 6168 R CA -0.145 55.870 56.100 -0.141 0.000 0.931 6168 R CB 0.472 30.761 30.300 -0.019 0.000 1.024 6168 R HN 0.204 nan 8.270 nan 0.000 0.457 6169 Y N -0.376 119.957 120.300 0.056 0.000 2.507 6169 Y HA 0.012 4.571 4.550 0.014 0.000 0.263 6169 Y C 0.873 176.795 175.900 0.038 0.000 1.093 6169 Y CA -0.009 58.116 58.100 0.042 0.000 1.285 6169 Y CB 0.442 38.919 38.460 0.028 0.000 1.115 6169 Y HN 0.508 nan 8.280 nan 0.000 0.533 6170 D N 1.631 122.144 120.400 0.188 0.000 2.671 6170 D HA 0.065 4.713 4.640 0.013 0.000 0.228 6170 D C 0.010 176.353 176.300 0.072 0.000 1.102 6170 D CA 0.254 54.328 54.000 0.124 0.000 1.044 6170 D CB -0.303 40.571 40.800 0.122 0.000 1.113 6170 D HN 0.262 nan 8.370 nan 0.000 0.480 6171 T N -2.112 112.462 114.554 0.034 0.000 2.858 6171 T HA 0.154 4.512 4.350 0.013 0.000 0.285 6171 T C 0.993 175.698 174.700 0.009 0.000 1.052 6171 T CA -0.829 61.246 62.100 -0.042 0.000 1.009 6171 T CB 0.564 69.381 68.868 -0.086 0.000 1.241 6171 T HN 0.076 nan 8.240 nan 0.000 0.542 6172 Y N 1.655 121.890 120.300 -0.109 0.000 2.128 6172 Y HA -0.142 4.415 4.550 0.012 0.000 0.284 6172 Y C 2.696 178.577 175.900 -0.033 0.000 1.154 6172 Y CA 2.686 60.745 58.100 -0.067 0.000 1.149 6172 Y CB -0.600 37.812 38.460 -0.080 0.000 0.976 6172 Y HN 0.737 nan 8.280 nan 0.000 0.505 6173 S N -1.197 114.407 115.700 -0.159 0.000 2.478 6173 S HA 0.188 4.666 4.470 0.013 0.000 0.222 6173 S C 1.853 176.397 174.600 -0.092 0.000 1.008 6173 S CA 0.490 58.566 58.200 -0.208 0.000 0.928 6173 S CB -0.535 62.630 63.200 -0.058 0.000 0.781 6173 S HN 0.990 nan 8.310 nan 0.000 0.518 6174 G N 1.424 110.212 108.800 -0.021 0.000 2.187 6174 G HA2 -0.316 3.652 3.960 0.013 0.000 0.261 6174 G HA3 -0.316 3.652 3.960 0.013 0.000 0.261 6174 G C 0.020 175.012 174.900 0.153 0.000 1.000 6174 G CA 0.570 45.711 45.100 0.069 0.000 0.718 6174 G HN 0.765 nan 8.290 nan 0.000 0.519 6175 R N -0.750 119.803 120.500 0.089 0.000 2.670 6175 R HA 0.677 5.025 4.340 0.013 0.000 0.289 6175 R C -1.021 175.307 176.300 0.047 0.000 0.965 6175 R CA -0.662 55.500 56.100 0.105 0.000 0.899 6175 R CB 1.968 32.301 30.300 0.054 0.000 1.173 6175 R HN 0.100 nan 8.270 nan 0.000 0.456 6176 V N 4.118 124.077 119.914 0.075 0.000 2.588 6176 V HA 0.237 4.365 4.120 0.013 0.000 0.304 6176 V C -0.019 176.134 176.094 0.098 0.000 1.042 6176 V CA -0.873 61.436 62.300 0.015 0.000 0.877 6176 V CB 1.823 33.559 31.823 -0.145 0.000 0.996 6176 V HN 0.609 nan 8.190 nan 0.000 0.425 6177 V N 5.945 125.930 119.914 0.119 0.000 2.763 6177 V HA 0.074 4.202 4.120 0.013 0.000 0.306 6177 V C 1.870 178.025 176.094 0.102 0.000 1.059 6177 V CA 0.690 63.060 62.300 0.117 0.000 1.138 6177 V CB 0.862 32.767 31.823 0.137 0.000 0.940 6177 V HN 0.963 nan 8.190 nan 0.000 0.489 6178 R N 3.693 124.225 120.500 0.053 0.000 2.189 6178 R HA -0.271 4.077 4.340 0.013 0.000 0.252 6178 R C 2.302 178.585 176.300 -0.027 0.000 1.134 6178 R CA 2.800 58.911 56.100 0.018 0.000 0.954 6178 R CB -0.381 29.920 30.300 0.000 0.000 0.890 6178 R HN 0.834 nan 8.270 nan 0.000 0.443 6179 R N -0.833 119.609 120.500 -0.096 0.000 2.105 6179 R HA -0.167 4.181 4.340 0.013 0.000 0.239 6179 R C 1.413 177.491 176.300 -0.371 0.000 1.135 6179 R CA 1.987 57.916 56.100 -0.286 0.000 0.967 6179 R CB -0.146 29.883 30.300 -0.452 0.000 0.861 6179 R HN 0.271 nan 8.270 nan 0.000 0.442 6180 F N 0.230 120.199 119.950 0.033 0.000 2.695 6180 F HA 0.262 4.804 4.527 0.024 0.000 0.303 6180 F C 0.509 176.319 175.800 0.017 0.000 1.091 6180 F CA -0.203 57.818 58.000 0.036 0.000 1.300 6180 F CB 0.234 39.254 39.000 0.034 0.000 1.071 6180 F HN -0.190 nan 8.300 nan 0.000 0.578 6181 K N 0.584 121.075 120.400 0.152 0.000 2.378 6181 K HA 0.371 4.699 4.320 0.013 0.000 0.288 6181 K C 1.183 177.837 176.600 0.090 0.000 1.057 6181 K CA 0.901 57.277 56.287 0.149 0.000 0.971 6181 K CB 0.027 32.603 32.500 0.127 0.000 0.975 6181 K HN 0.342 nan 8.250 nan 0.000 0.475 6182 G N 2.595 111.466 108.800 0.118 0.000 2.148 6182 G HA2 -0.339 3.629 3.960 0.013 0.000 0.254 6182 G HA3 -0.339 3.629 3.960 0.013 0.000 0.254 6182 G C 0.759 175.636 174.900 -0.038 0.000 0.981 6182 G CA 0.770 45.895 45.100 0.042 0.000 0.670 6182 G HN 0.763 nan 8.290 nan 0.000 0.528 6183 S N -0.733 114.959 115.700 -0.014 0.000 2.387 6183 S HA 0.089 4.567 4.470 0.013 0.000 0.226 6183 S C 2.239 176.681 174.600 -0.264 0.000 1.026 6183 S CA 1.485 59.565 58.200 -0.200 0.000 0.972 6183 S CB -0.251 63.001 63.200 0.087 0.000 0.814 6183 S HN 0.616 nan 8.310 nan 0.000 0.477 6184 M N 1.427 121.085 119.600 0.097 0.000 2.159 6184 M HA -0.081 4.407 4.480 0.013 0.000 0.263 6184 M C 2.358 178.697 176.300 0.065 0.000 1.063 6184 M CA 1.836 57.267 55.300 0.219 0.000 1.110 6184 M CB -0.237 32.544 32.600 0.302 0.000 1.374 6184 M HN 0.475 nan 8.290 nan 0.000 0.411 6185 E N 0.074 120.277 120.200 0.007 0.000 2.110 6185 E HA -0.223 4.135 4.350 0.013 0.000 0.193 6185 E C 1.627 178.189 176.600 -0.065 0.000 0.988 6185 E CA 1.483 57.874 56.400 -0.015 0.000 0.804 6185 E CB 0.055 29.747 29.700 -0.014 0.000 0.745 6185 E HN 0.646 nan 8.360 nan 0.000 0.458 6186 E N -0.424 119.663 120.200 -0.188 0.000 2.047 6186 E HA -0.173 4.185 4.350 0.013 0.000 0.191 6186 E C 1.841 178.354 176.600 -0.145 0.000 0.987 6186 E CA 1.226 57.469 56.400 -0.263 0.000 0.799 6186 E CB -0.211 29.189 29.700 -0.501 0.000 0.752 6186 E HN 0.441 nan 8.360 nan 0.000 0.449 6187 W N 1.590 122.894 121.300 0.006 0.000 2.358 6187 W HA -0.179 4.483 4.660 0.003 0.000 0.303 6187 W C 2.600 179.085 176.519 -0.056 0.000 1.208 6187 W CA 0.457 57.781 57.345 -0.036 0.000 1.274 6187 W CB -0.154 29.252 29.460 -0.090 0.000 1.138 6187 W HN 0.160 nan 8.180 nan 0.000 0.515 6188 Q N 0.949 120.835 119.800 0.144 0.000 2.030 6188 Q HA -0.236 4.112 4.340 0.013 0.000 0.204 6188 Q C 2.410 178.445 176.000 0.058 0.000 0.986 6188 Q CA 2.197 58.039 55.803 0.066 0.000 0.843 6188 Q CB -0.470 28.290 28.738 0.037 0.000 0.904 6188 Q HN 0.238 nan 8.270 nan 0.000 0.420 6189 A N 0.481 123.328 122.820 0.044 0.000 1.978 6189 A HA -0.161 4.167 4.320 0.013 0.000 0.220 6189 A C 1.901 179.515 177.584 0.051 0.000 1.170 6189 A CA 1.572 53.629 52.037 0.033 0.000 0.636 6189 A CB -0.464 18.541 19.000 0.009 0.000 0.810 6189 A HN 0.500 nan 8.150 nan 0.000 0.448 6190 M N -1.322 118.329 119.600 0.084 0.000 2.618 6190 M HA 0.156 4.644 4.480 0.013 0.000 0.240 6190 M C 1.330 177.682 176.300 0.086 0.000 1.123 6190 M CA 0.780 56.142 55.300 0.102 0.000 1.060 6190 M CB 0.151 32.858 32.600 0.177 0.000 1.535 6190 M HN 0.634 nan 8.290 nan 0.000 0.507 6191 G N 0.484 109.327 108.800 0.073 0.000 2.157 6191 G HA2 -0.200 3.768 3.960 0.013 0.000 0.248 6191 G HA3 -0.200 3.768 3.960 0.013 0.000 0.248 6191 G C 0.072 174.993 174.900 0.036 0.000 0.979 6191 G CA -0.231 44.902 45.100 0.055 0.000 0.650 6191 G HN 0.303 nan 8.290 nan 0.000 0.529 6192 V N 1.758 121.693 119.914 0.035 0.000 2.655 6192 V HA 0.248 4.376 4.120 0.013 0.000 0.300 6192 V C 1.815 177.865 176.094 -0.073 0.000 1.044 6192 V CA 1.090 63.372 62.300 -0.031 0.000 1.095 6192 V CB 1.257 33.045 31.823 -0.058 0.000 0.952 6192 V HN 0.393 nan 8.190 nan 0.000 0.485 6193 M N 3.091 122.631 119.600 -0.099 0.000 2.248 6193 M HA 0.122 4.610 4.480 0.013 0.000 0.265 6193 M C 0.562 176.756 176.300 -0.177 0.000 1.079 6193 M CA 0.993 56.216 55.300 -0.128 0.000 1.150 6193 M CB 0.029 32.572 32.600 -0.095 0.000 1.366 6193 M HN 0.929 nan 8.290 nan 0.000 0.433 6194 N N -1.610 116.971 118.700 -0.198 0.000 2.823 6194 N HA 0.205 4.953 4.740 0.013 0.000 0.251 6194 N C -1.960 173.407 175.510 -0.239 0.000 1.392 6194 N CA -0.658 52.276 53.050 -0.194 0.000 0.864 6194 N CB 1.142 39.567 38.487 -0.103 0.000 1.481 6194 N HN -0.118 nan 8.380 nan 0.000 0.508 6195 Y N -0.349 119.891 120.300 -0.099 0.000 2.420 6195 Y HA 0.641 5.197 4.550 0.011 0.000 0.334 6195 Y C 0.724 176.556 175.900 -0.113 0.000 1.094 6195 Y CA -0.210 57.815 58.100 -0.126 0.000 1.126 6195 Y CB 1.244 39.611 38.460 -0.155 0.000 1.217 6195 Y HN 0.641 nan 8.280 nan 0.000 0.462 6196 E N 1.557 121.815 120.200 0.098 0.000 2.415 6196 E HA 0.323 4.681 4.350 0.013 0.000 0.271 6196 E C -1.230 175.373 176.600 0.005 0.000 1.094 6196 E CA -0.372 56.044 56.400 0.028 0.000 0.881 6196 E CB 1.514 31.220 29.700 0.011 0.000 1.581 6196 E HN 0.756 nan 8.360 nan 0.000 0.460 6197 M N 0.540 120.142 119.600 0.002 0.000 2.241 6197 M HA 0.175 4.663 4.480 0.013 0.000 0.374 6197 M C 0.147 176.444 176.300 -0.005 0.000 0.922 6197 M CA 0.269 55.565 55.300 -0.006 0.000 1.031 6197 M CB 0.888 33.491 32.600 0.005 0.000 1.864 6197 M HN 0.293 nan 8.290 nan 0.000 0.636 6198 E N -0.735 119.462 120.200 -0.004 0.000 2.536 6198 E HA 0.083 4.441 4.350 0.013 0.000 0.220 6198 E C 1.751 178.341 176.600 -0.016 0.000 0.876 6198 E CA 0.610 57.005 56.400 -0.008 0.000 1.190 6198 E CB 0.388 30.086 29.700 -0.003 0.000 1.191 6198 E HN 0.300 nan 8.360 nan 0.000 0.557 6199 S N 0.869 116.560 115.700 -0.015 0.000 2.382 6199 S HA -0.097 4.381 4.470 0.013 0.000 0.228 6199 S C 2.226 176.814 174.600 -0.020 0.000 1.027 6199 S CA 0.939 59.128 58.200 -0.018 0.000 0.991 6199 S CB -0.293 62.897 63.200 -0.016 0.000 0.823 6199 S HN 0.229 nan 8.310 nan 0.000 0.469 6200 A N 1.998 124.809 122.820 -0.015 0.000 1.877 6200 A HA -0.048 4.280 4.320 0.013 0.000 0.216 6200 A C 2.451 180.035 177.584 0.001 0.000 1.186 6200 A CA 2.188 54.224 52.037 -0.001 0.000 0.620 6200 A CB -1.713 17.290 19.000 0.005 0.000 0.822 6200 A HN 0.591 nan 8.150 nan 0.000 0.443 6201 T N 0.149 114.697 114.554 -0.010 0.000 2.674 6201 T HA -0.140 4.218 4.350 0.013 0.000 0.265 6201 T C 1.899 176.536 174.700 -0.105 0.000 1.039 6201 T CA 1.467 63.555 62.100 -0.021 0.000 1.150 6201 T CB -0.539 68.322 68.868 -0.011 0.000 0.864 6201 T HN 0.368 nan 8.240 nan 0.000 0.427 6202 L N 0.922 122.078 121.223 -0.110 0.000 1.990 6202 L HA -0.094 4.254 4.340 0.013 0.000 0.213 6202 L C 2.266 179.038 176.870 -0.164 0.000 1.072 6202 L CA 1.755 56.492 54.840 -0.171 0.000 0.755 6202 L CB -0.559 41.430 42.059 -0.117 0.000 0.889 6202 L HN 0.235 nan 8.230 nan 0.000 0.432 6203 L N -1.228 119.947 121.223 -0.079 0.000 2.093 6203 L HA -0.167 4.181 4.340 0.013 0.000 0.208 6203 L C 2.376 179.237 176.870 -0.015 0.000 1.085 6203 L CA 1.573 56.394 54.840 -0.032 0.000 0.755 6203 L CB -1.075 40.989 42.059 0.009 0.000 0.904 6203 L HN 0.336 nan 8.230 nan 0.000 0.435 6204 T N -0.435 114.106 114.554 -0.022 0.000 2.737 6204 T HA -0.160 4.198 4.350 0.013 0.000 0.265 6204 T C 1.982 176.570 174.700 -0.187 0.000 1.038 6204 T CA 1.215 63.311 62.100 -0.007 0.000 1.144 6204 T CB -0.176 68.720 68.868 0.047 0.000 0.866 6204 T HN 0.180 nan 8.240 nan 0.000 0.434 6205 M N 0.674 120.042 119.600 -0.386 0.000 2.088 6205 M HA -0.189 4.299 4.480 0.013 0.000 0.256 6205 M C 2.648 178.684 176.300 -0.440 0.000 1.071 6205 M CA 1.670 56.516 55.300 -0.757 0.000 1.097 6205 M CB -0.795 31.296 32.600 -0.849 0.000 1.315 6205 M HN 0.375 nan 8.290 nan 0.000 0.406 6206 C N -0.427 118.703 119.300 -0.283 0.000 2.476 6206 C HA 0.005 4.473 4.460 0.013 0.000 0.278 6206 C C 3.001 177.969 174.990 -0.037 0.000 1.274 6206 C CA 0.765 59.695 59.018 -0.146 0.000 1.713 6206 C CB -1.327 26.357 27.740 -0.092 0.000 2.039 6206 C HN 0.667 nan 8.230 nan 0.000 0.484 6207 A N 1.092 123.922 122.820 0.017 0.000 2.019 6207 A HA -0.128 4.200 4.320 0.013 0.000 0.219 6207 A C 2.132 179.811 177.584 0.158 0.000 1.164 6207 A CA 2.135 54.258 52.037 0.143 0.000 0.644 6207 A CB -0.574 18.589 19.000 0.272 0.000 0.805 6207 A HN 0.719 nan 8.150 nan 0.000 0.449 6208 S N -2.186 113.484 115.700 -0.050 0.000 2.577 6208 S HA 0.221 4.699 4.470 0.013 0.000 0.219 6208 S C 0.908 175.457 174.600 -0.085 0.000 0.962 6208 S CA 0.193 58.273 58.200 -0.200 0.000 0.921 6208 S CB 0.159 63.009 63.200 -0.585 0.000 0.789 6208 S HN 0.618 nan 8.310 nan 0.000 0.497 6209 Q N 0.198 119.972 119.800 -0.044 0.000 2.093 6209 Q HA 0.334 4.682 4.340 0.013 0.000 0.217 6209 Q C 0.584 176.596 176.000 0.019 0.000 0.785 6209 Q CA 0.112 55.906 55.803 -0.016 0.000 1.038 6209 Q CB 1.214 29.922 28.738 -0.049 0.000 1.190 6209 Q HN 0.648 nan 8.270 nan 0.000 0.468 6210 G N 1.579 110.403 108.800 0.039 0.000 2.182 6210 G HA2 -0.253 3.715 3.960 0.013 0.000 0.248 6210 G HA3 -0.253 3.715 3.960 0.013 0.000 0.248 6210 G C -0.241 174.699 174.900 0.067 0.000 1.042 6210 G CA 0.116 45.249 45.100 0.055 0.000 0.775 6210 G HN 0.218 nan 8.290 nan 0.000 0.501 6211 L N -0.900 120.368 121.223 0.075 0.000 2.342 6211 L HA 0.707 5.055 4.340 0.013 0.000 0.271 6211 L C 0.751 177.699 176.870 0.130 0.000 1.008 6211 L CA -1.248 53.668 54.840 0.128 0.000 0.818 6211 L CB 1.634 43.808 42.059 0.192 0.000 1.296 6211 L HN 0.067 nan 8.230 nan 0.000 0.427 6212 R N 1.609 122.197 120.500 0.146 0.000 2.297 6212 R HA 0.750 5.098 4.340 0.013 0.000 0.308 6212 R C -0.638 175.762 176.300 0.167 0.000 1.029 6212 R CA -0.272 55.902 56.100 0.123 0.000 0.929 6212 R CB 1.467 31.817 30.300 0.083 0.000 1.046 6212 R HN 0.724 nan 8.270 nan 0.000 0.461 6213 A N 1.525 124.419 122.820 0.123 0.000 2.449 6213 A HA 0.784 5.112 4.320 0.013 0.000 0.302 6213 A C -0.657 176.971 177.584 0.073 0.000 1.048 6213 A CA -0.674 51.435 52.037 0.121 0.000 0.708 6213 A CB 1.998 21.045 19.000 0.078 0.000 1.274 6213 A HN 0.749 nan 8.150 nan 0.000 0.410 6214 G N -0.036 108.804 108.800 0.067 0.000 2.498 6214 G HA2 0.671 4.639 3.960 0.013 0.000 0.312 6214 G HA3 0.671 4.639 3.960 0.013 0.000 0.312 6214 G C -1.056 173.864 174.900 0.033 0.000 1.230 6214 G CA -0.576 44.544 45.100 0.034 0.000 0.968 6214 G HN 1.031 nan 8.290 nan 0.000 0.481 6215 M N 1.825 121.435 119.600 0.017 0.000 2.267 6215 M HA 0.711 5.199 4.480 0.013 0.000 0.289 6215 M C -1.795 174.510 176.300 0.009 0.000 1.043 6215 M CA -0.858 54.451 55.300 0.014 0.000 0.928 6215 M CB 1.956 34.561 32.600 0.008 0.000 1.613 6215 M HN 0.696 nan 8.290 nan 0.000 0.450 6216 V N 4.003 123.924 119.914 0.012 0.000 2.971 6216 V HA 1.044 5.172 4.120 0.013 0.000 0.309 6216 V C -1.819 174.283 176.094 0.014 0.000 1.130 6216 V CA 0.217 62.524 62.300 0.012 0.000 0.964 6216 V CB 2.059 33.889 31.823 0.011 0.000 1.029 6216 V HN 1.271 nan 8.190 nan 0.000 0.427 6217 A N 3.585 126.415 122.820 0.016 0.000 2.574 6217 A HA 0.906 5.234 4.320 0.013 0.000 0.297 6217 A C -0.366 177.231 177.584 0.022 0.000 1.062 6217 A CA -0.102 51.946 52.037 0.017 0.000 0.686 6217 A CB 1.824 20.831 19.000 0.012 0.000 1.285 6217 A HN 1.683 nan 8.150 nan 0.000 0.403 6218 G N 0.104 108.918 108.800 0.023 0.000 2.356 6218 G HA2 0.545 4.513 3.960 0.013 0.000 0.322 6218 G HA3 0.545 4.513 3.960 0.013 0.000 0.322 6218 G C -0.463 174.449 174.900 0.019 0.000 1.125 6218 G CA -0.418 44.697 45.100 0.026 0.000 0.885 6218 G HN 0.961 nan 8.290 nan 0.000 0.467 6219 V N 2.801 122.723 119.914 0.014 0.000 2.572 6219 V HA 0.134 4.263 4.120 0.013 0.000 0.291 6219 V C 1.266 177.366 176.094 0.010 0.000 1.039 6219 V CA 0.266 62.567 62.300 0.003 0.000 1.055 6219 V CB 0.948 32.763 31.823 -0.015 0.000 0.969 6219 V HN 0.764 nan 8.190 nan 0.000 0.482 6220 I N 2.855 123.433 120.570 0.014 0.000 4.403 6220 I HA 0.566 4.744 4.170 0.013 0.000 0.331 6220 I C 0.121 176.251 176.117 0.022 0.000 1.327 6220 I CA 0.169 61.482 61.300 0.021 0.000 1.175 6220 I CB 1.148 39.166 38.000 0.030 0.000 1.165 6220 I HN 0.408 nan 8.210 nan 0.000 0.413 6221 V N 1.364 121.287 119.914 0.014 0.000 3.098 6221 V HA 0.425 4.553 4.120 0.013 0.000 0.294 6221 V C -1.850 174.242 176.094 -0.003 0.000 1.351 6221 V CA -0.546 61.762 62.300 0.013 0.000 0.999 6221 V CB 2.376 34.215 31.823 0.028 0.000 1.104 6221 V HN 0.331 nan 8.190 nan 0.000 0.438 6222 N N 4.957 123.654 118.700 -0.006 0.000 2.469 6222 N HA 0.366 5.115 4.740 0.013 0.000 0.253 6222 N C 0.685 176.195 175.510 -0.000 0.000 0.970 6222 N CA -0.561 52.478 53.050 -0.019 0.000 0.940 6222 N CB 1.474 39.941 38.487 -0.032 0.000 1.128 6222 N HN 0.608 nan 8.380 nan 0.000 0.503 6223 R N 0.901 121.406 120.500 0.009 0.000 2.285 6223 R HA -0.046 4.302 4.340 0.013 0.000 0.213 6223 R C 1.419 177.744 176.300 0.042 0.000 1.068 6223 R CA 0.801 56.924 56.100 0.038 0.000 1.004 6223 R CB -0.712 29.640 30.300 0.087 0.000 0.873 6223 R HN 0.650 nan 8.270 nan 0.000 0.467 6224 T N -1.709 112.856 114.554 0.019 0.000 3.160 6224 T HA -0.050 4.308 4.350 0.013 0.000 0.257 6224 T C 1.545 176.258 174.700 0.022 0.000 1.147 6224 T CA 0.698 62.811 62.100 0.021 0.000 1.064 6224 T CB 0.147 69.018 68.868 0.005 0.000 0.949 6224 T HN 0.423 nan 8.240 nan 0.000 0.526 6225 Q N 0.226 120.039 119.800 0.021 0.000 2.459 6225 Q HA 0.211 4.559 4.340 0.013 0.000 0.260 6225 Q C 0.573 176.590 176.000 0.029 0.000 0.828 6225 Q CA -0.350 55.467 55.803 0.022 0.000 0.987 6225 Q CB 0.339 29.086 28.738 0.015 0.000 1.216 6225 Q HN 0.732 nan 8.270 nan 0.000 0.558 6226 Q N -0.385 119.435 119.800 0.033 0.000 2.462 6226 Q HA 0.401 4.749 4.340 0.013 0.000 0.285 6226 Q C -0.506 175.520 176.000 0.044 0.000 1.035 6226 Q CA -0.628 55.200 55.803 0.041 0.000 0.799 6226 Q CB 1.568 30.330 28.738 0.039 0.000 1.452 6226 Q HN -0.000 nan 8.270 nan 0.000 0.404 6227 E N 0.529 120.763 120.200 0.056 0.000 2.122 6227 E HA 0.096 4.454 4.350 0.013 0.000 0.190 6227 E C 0.292 176.924 176.600 0.054 0.000 0.977 6227 E CA 0.694 57.122 56.400 0.047 0.000 0.820 6227 E CB 0.450 30.198 29.700 0.080 0.000 0.770 6227 E HN 0.439 nan 8.360 nan 0.000 0.462 6228 I N 1.982 122.604 120.570 0.087 0.000 2.465 6228 I HA 0.298 4.476 4.170 0.013 0.000 0.291 6228 I C -2.468 173.696 176.117 0.079 0.000 1.014 6228 I CA -3.031 58.338 61.300 0.114 0.000 1.093 6228 I CB 1.155 39.241 38.000 0.143 0.000 1.267 6228 I HN -0.234 nan 8.210 nan 0.000 0.431 6229 P HA 0.178 nan 4.420 nan 0.000 0.272 6229 P C -0.654 176.674 177.300 0.046 0.000 1.223 6229 P CA -0.285 62.846 63.100 0.052 0.000 0.784 6229 P CB 0.344 32.072 31.700 0.048 0.000 0.923 6230 N N -0.025 118.695 118.700 0.035 0.000 2.513 6230 N HA 0.322 5.070 4.740 0.013 0.000 0.268 6230 N C 0.127 175.652 175.510 0.024 0.000 1.180 6230 N CA -0.455 52.613 53.050 0.029 0.000 0.948 6230 N CB 0.332 38.833 38.487 0.024 0.000 1.083 6230 N HN 0.448 nan 8.380 nan 0.000 0.455 6231 A N 1.616 124.450 122.820 0.022 0.000 2.425 6231 A HA 0.173 4.501 4.320 0.013 0.000 0.242 6231 A C 0.374 177.965 177.584 0.012 0.000 1.077 6231 A CA 0.117 52.163 52.037 0.015 0.000 0.781 6231 A CB 0.264 19.272 19.000 0.013 0.000 1.020 6231 A HN 0.752 nan 8.150 nan 0.000 0.494 6232 E N -0.026 120.179 120.200 0.008 0.000 2.433 6232 E HA 0.472 4.830 4.350 0.013 0.000 0.273 6232 E C -0.083 176.519 176.600 0.002 0.000 0.950 6232 E CA 0.012 56.416 56.400 0.006 0.000 0.796 6232 E CB 0.753 30.457 29.700 0.006 0.000 1.330 6232 E HN 0.551 nan 8.360 nan 0.000 0.455 6233 T N -2.020 112.535 114.554 0.002 0.000 2.999 6233 T HA 0.220 4.578 4.350 0.013 0.000 0.247 6233 T C 1.005 175.704 174.700 -0.002 0.000 1.012 6233 T CA -0.075 62.024 62.100 -0.000 0.000 1.048 6233 T CB -0.067 68.801 68.868 0.000 0.000 1.020 6233 T HN 0.314 nan 8.240 nan 0.000 0.478 6234 M N 2.654 122.254 119.600 -0.000 0.000 2.238 6234 M HA 0.333 4.821 4.480 0.013 0.000 0.347 6234 M C 0.026 176.325 176.300 -0.003 0.000 1.173 6234 M CA -0.472 54.828 55.300 -0.001 0.000 1.147 6234 M CB 0.439 33.040 32.600 0.000 0.000 1.547 6234 M HN -0.109 nan 8.290 nan 0.000 0.455 6239 S N 0.033 115.760 115.700 0.045 0.000 2.603 6239 S HA -0.024 4.454 4.470 0.013 0.000 0.220 6239 S C 1.644 176.227 174.600 -0.027 0.000 0.967 6239 S CA 0.820 59.013 58.200 -0.012 0.000 0.920 6239 S CB -0.659 62.507 63.200 -0.057 0.000 0.773 6239 S HN 0.590 nan 8.310 nan 0.000 0.529 6240 H N 1.750 120.814 119.070 -0.010 0.000 2.321 6240 H HA 0.005 4.568 4.556 0.013 0.000 0.300 6240 H C 2.553 177.875 175.328 -0.011 0.000 1.087 6240 H CA 1.707 57.749 56.048 -0.010 0.000 1.319 6240 H CB -0.414 29.344 29.762 -0.007 0.000 1.379 6240 H HN 0.622 nan 8.280 nan 0.000 0.501 6241 A N 0.617 123.505 122.820 0.113 0.000 1.972 6241 A HA -0.092 4.236 4.320 0.013 0.000 0.219 6241 A C 2.784 180.382 177.584 0.023 0.000 1.169 6241 A CA 1.259 53.331 52.037 0.057 0.000 0.635 6241 A CB -0.666 18.361 19.000 0.045 0.000 0.810 6241 A HN 0.199 nan 8.150 nan 0.000 0.446 6242 V N 0.214 120.132 119.914 0.007 0.000 2.358 6242 V HA -0.271 3.857 4.120 0.013 0.000 0.246 6242 V C 2.405 178.485 176.094 -0.024 0.000 1.047 6242 V CA 2.325 64.616 62.300 -0.016 0.000 1.035 6242 V CB -0.674 31.130 31.823 -0.032 0.000 0.658 6242 V HN 0.557 nan 8.190 nan 0.000 0.452 6243 K N -0.066 120.314 120.400 -0.033 0.000 2.057 6243 K HA -0.070 4.258 4.320 0.013 0.000 0.206 6243 K C 2.060 178.650 176.600 -0.017 0.000 1.050 6243 K CA 1.515 57.779 56.287 -0.039 0.000 0.935 6243 K CB -0.315 32.143 32.500 -0.071 0.000 0.715 6243 K HN 0.382 nan 8.250 nan 0.000 0.439 6244 I N 0.554 121.125 120.570 0.001 0.000 2.286 6244 I HA -0.240 3.938 4.170 0.013 0.000 0.248 6244 I C 2.347 178.464 176.117 -0.002 0.000 1.115 6244 I CA 0.830 62.134 61.300 0.007 0.000 1.392 6244 I CB -0.169 37.845 38.000 0.023 0.000 1.065 6244 I HN -0.019 nan 8.210 nan 0.000 0.418 6245 V N 0.146 120.059 119.914 -0.001 0.000 2.548 6245 V HA -0.153 3.975 4.120 0.013 0.000 0.249 6245 V C 2.285 178.375 176.094 -0.007 0.000 1.055 6245 V CA 1.346 63.645 62.300 -0.002 0.000 1.065 6245 V CB 0.306 32.130 31.823 0.003 0.000 0.681 6245 V HN 0.191 nan 8.190 nan 0.000 0.462 6246 V N 0.144 120.051 119.914 -0.012 0.000 2.307 6246 V HA -0.183 3.945 4.120 0.013 0.000 0.245 6246 V C 2.511 178.596 176.094 -0.014 0.000 1.045 6246 V CA 2.232 64.523 62.300 -0.015 0.000 1.024 6246 V CB -0.616 31.195 31.823 -0.021 0.000 0.651 6246 V HN 0.670 nan 8.190 nan 0.000 0.449 6247 E N 0.912 121.104 120.200 -0.015 0.000 2.153 6247 E HA -0.169 4.189 4.350 0.013 0.000 0.194 6247 E C 2.045 178.636 176.600 -0.015 0.000 0.988 6247 E CA 1.623 58.014 56.400 -0.014 0.000 0.811 6247 E CB -0.422 29.270 29.700 -0.013 0.000 0.746 6247 E HN 0.511 nan 8.360 nan 0.000 0.466 6248 A N 0.750 123.561 122.820 -0.015 0.000 1.898 6248 A HA 0.009 4.337 4.320 0.013 0.000 0.216 6248 A C 2.454 180.027 177.584 -0.018 0.000 1.181 6248 A CA 1.885 53.911 52.037 -0.019 0.000 0.620 6248 A CB -1.003 17.986 19.000 -0.019 0.000 0.819 6248 A HN 0.393 nan 8.150 nan 0.000 0.442 6249 A N -0.196 122.615 122.820 -0.015 0.000 1.908 6249 A HA -0.198 4.130 4.320 0.013 0.000 0.218 6249 A C 2.243 179.817 177.584 -0.017 0.000 1.181 6249 A CA 1.802 53.829 52.037 -0.016 0.000 0.627 6249 A CB -0.558 18.433 19.000 -0.015 0.000 0.818 6249 A HN 0.555 nan 8.150 nan 0.000 0.445 6250 R N -0.269 120.222 120.500 -0.014 0.000 2.103 6250 R HA -0.175 4.173 4.340 0.013 0.000 0.242 6250 R C 2.188 178.480 176.300 -0.013 0.000 1.142 6250 R CA 1.927 58.020 56.100 -0.013 0.000 0.960 6250 R CB -0.221 30.072 30.300 -0.012 0.000 0.858 6250 R HN 0.542 nan 8.270 nan 0.000 0.439 6251 R N -0.206 120.285 120.500 -0.015 0.000 2.280 6251 R HA 0.005 4.353 4.340 0.013 0.000 0.207 6251 R C 1.907 178.199 176.300 -0.014 0.000 1.043 6251 R CA 0.628 56.719 56.100 -0.015 0.000 1.006 6251 R CB 0.067 30.355 30.300 -0.019 0.000 0.885 6251 R HN 0.285 nan 8.270 nan 0.000 0.467 6252 L N 0.056 121.270 121.223 -0.015 0.000 2.463 6252 L HA 0.155 4.503 4.340 0.013 0.000 0.219 6252 L C 0.728 177.590 176.870 -0.013 0.000 1.088 6252 L CA -0.051 54.780 54.840 -0.014 0.000 0.849 6252 L CB 0.147 42.196 42.059 -0.017 0.000 1.012 6252 L HN 0.056 nan 8.230 nan 0.000 0.468 6253 L N 0.000 121.214 121.223 -0.015 0.000 2.949 6253 L HA 0.000 4.348 4.340 0.013 0.000 0.249 6253 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 6253 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502