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 3nel_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYRTHYSSEI TEELNGQKVK VAGWVWEVKD LGGIKFLWIR DRDGIVQITA DATA SEQUENCE PKKKVDPELF KLIPKLRSED VVAVEGVVNF TPKAKLGFEI LPEKIVVLNR DATA SEQUENCE AETPLPLDPT GKVKAELDTR LDNRFMDLRR PEVMAIFKIR SSVFKAVRDF DATA SEQUENCE FHENGFIEIH TPKIIATATE GGTELFPMKY FEEDAFLAQS PQLYKQIMMA DATA SEQUENCE SGLDRVYEIA PIFRAEEHNT TRHLNEAWSI DSEMAFIEDE EEVMSFLERL DATA SEQUENCE VAHAINYVRE HNAKELDILN FELEEPKLPF PRVSYDKALE ILGDLGKEIP DATA SEQUENCE WGEDIDTEGE RLLGKYMMEN ENAPLYFLYQ YPSEAKPFYI MKYDNKPEIC DATA SEQUENCE RAFDLEYRGV EISSGGQREH RHDILVEQIK EKGLNPESFE FYLKAFRYGM DATA SEQUENCE PPHGGFGLGA ERLIKQMLDL PNIREVILFP RDRRRLTP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.185 176.300 -0.191 0.000 1.140 1 M CA 0.000 55.212 55.300 -0.146 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 2 Y N 0.098 120.369 120.300 -0.047 0.000 2.529 2 Y HA 0.205 4.756 4.550 0.001 0.000 0.290 2 Y C 1.172 177.034 175.900 -0.063 0.000 1.177 2 Y CA 0.570 58.638 58.100 -0.053 0.000 1.305 2 Y CB 0.484 38.905 38.460 -0.064 0.000 1.047 2 Y HN 0.428 nan 8.280 nan 0.000 0.522 3 R N -0.323 120.200 120.500 0.040 0.000 2.673 3 R HA 0.234 4.574 4.340 0.001 0.000 0.281 3 R C 0.153 176.416 176.300 -0.062 0.000 0.991 3 R CA 0.305 56.388 56.100 -0.030 0.000 0.896 3 R CB 1.524 31.743 30.300 -0.135 0.000 1.201 3 R HN 0.111 nan 8.270 nan 0.000 0.457 4 T N -1.358 113.179 114.554 -0.029 0.000 2.978 4 T HA 0.271 4.622 4.350 0.001 0.000 0.248 4 T C -0.019 174.479 174.700 -0.337 0.000 1.018 4 T CA 0.197 62.236 62.100 -0.101 0.000 1.026 4 T CB 0.022 68.927 68.868 0.062 0.000 1.032 4 T HN 0.663 nan 8.240 nan 0.000 0.485 5 H N -0.743 118.303 119.070 -0.040 0.000 2.806 5 H HA 0.598 5.154 4.556 -0.000 0.000 0.367 5 H C -1.598 173.715 175.328 -0.024 0.000 1.136 5 H CA -0.960 55.093 56.048 0.008 0.000 1.178 5 H CB 1.144 30.930 29.762 0.040 0.000 1.718 5 H HN 0.133 nan 8.280 nan 0.000 0.540 6 Y N 0.282 120.694 120.300 0.186 0.000 2.326 6 Y HA 0.059 4.609 4.550 -0.000 0.000 0.324 6 Y C 1.849 177.866 175.900 0.196 0.000 1.291 6 Y CA 0.424 58.622 58.100 0.163 0.000 1.348 6 Y CB 1.264 39.798 38.460 0.124 0.000 1.294 6 Y HN 0.823 nan 8.280 nan 0.000 0.525 7 S N -0.999 114.924 115.700 0.372 0.000 2.402 7 S HA -0.253 4.218 4.470 0.001 0.000 0.233 7 S C 1.744 176.537 174.600 0.322 0.000 1.030 7 S CA 1.606 59.998 58.200 0.320 0.000 1.003 7 S CB -0.825 62.509 63.200 0.224 0.000 0.813 7 S HN 0.707 nan 8.310 nan 0.000 0.477 8 S N 1.113 116.972 115.700 0.266 0.000 2.562 8 S HA 0.145 4.615 4.470 0.001 0.000 0.221 8 S C 1.253 175.977 174.600 0.208 0.000 0.975 8 S CA 0.137 58.461 58.200 0.207 0.000 0.918 8 S CB -0.358 62.921 63.200 0.131 0.000 0.772 8 S HN 0.704 nan 8.310 nan 0.000 0.531 9 E N 0.518 120.869 120.200 0.251 0.000 2.474 9 E HA 0.295 4.645 4.350 0.001 0.000 0.195 9 E C -0.407 176.315 176.600 0.203 0.000 1.039 9 E CA -0.078 56.467 56.400 0.241 0.000 0.881 9 E CB 0.215 30.095 29.700 0.300 0.000 0.970 9 E HN 0.589 nan 8.360 nan 0.000 0.486 10 I N 2.396 123.035 120.570 0.115 0.000 2.297 10 I HA 0.095 4.265 4.170 0.001 0.000 0.291 10 I C 0.460 176.543 176.117 -0.057 0.000 1.033 10 I CA -0.232 60.987 61.300 -0.134 0.000 1.253 10 I CB 0.985 38.688 38.000 -0.494 0.000 1.396 10 I HN -0.040 nan 8.210 nan 0.000 0.476 11 T N 0.777 115.339 114.554 0.013 0.000 2.858 11 T HA 0.345 4.695 4.350 0.001 0.000 0.285 11 T C 0.967 175.567 174.700 -0.167 0.000 1.052 11 T CA -0.792 61.353 62.100 0.076 0.000 1.009 11 T CB 1.683 70.559 68.868 0.014 0.000 1.241 11 T HN 0.412 nan 8.240 nan 0.000 0.542 12 E N 0.780 120.667 120.200 -0.521 0.000 2.108 12 E HA -0.236 4.114 4.350 0.001 0.000 0.203 12 E C 1.765 178.117 176.600 -0.414 0.000 1.022 12 E CA 1.951 57.861 56.400 -0.818 0.000 0.823 12 E CB -0.371 29.024 29.700 -0.509 0.000 0.744 12 E HN 0.756 nan 8.360 nan 0.000 0.456 13 E N 0.347 120.415 120.200 -0.220 0.000 2.331 13 E HA -0.123 4.228 4.350 0.001 0.000 0.199 13 E C 1.774 178.317 176.600 -0.095 0.000 1.008 13 E CA 0.602 56.928 56.400 -0.124 0.000 0.843 13 E CB -0.151 29.507 29.700 -0.069 0.000 0.761 13 E HN 0.280 nan 8.360 nan 0.000 0.507 14 L N 0.307 121.469 121.223 -0.101 0.000 2.640 14 L HA 0.132 4.472 4.340 0.001 0.000 0.230 14 L C 0.664 177.516 176.870 -0.030 0.000 1.123 14 L CA -0.370 54.424 54.840 -0.076 0.000 0.900 14 L CB -0.239 41.736 42.059 -0.140 0.000 1.146 14 L HN 0.094 nan 8.230 nan 0.000 0.484 15 N N 1.204 119.897 118.700 -0.012 0.000 2.411 15 N HA 0.003 4.743 4.740 0.001 0.000 0.261 15 N C 1.164 176.700 175.510 0.042 0.000 1.248 15 N CA 0.994 54.097 53.050 0.089 0.000 0.885 15 N CB 0.546 39.064 38.487 0.052 0.000 1.062 15 N HN 0.344 nan 8.380 nan 0.000 0.471 16 G N 2.007 110.841 108.800 0.057 0.000 2.176 16 G HA2 -0.268 3.693 3.960 0.001 0.000 0.253 16 G HA3 -0.268 3.693 3.960 0.001 0.000 0.253 16 G C -0.080 174.825 174.900 0.009 0.000 0.979 16 G CA -0.002 45.116 45.100 0.031 0.000 0.641 16 G HN 0.642 nan 8.290 nan 0.000 0.530 17 Q N 0.032 119.829 119.800 -0.005 0.000 2.205 17 Q HA 0.567 4.907 4.340 0.001 0.000 0.249 17 Q C 0.035 176.019 176.000 -0.026 0.000 0.948 17 Q CA -0.610 55.182 55.803 -0.018 0.000 0.895 17 Q CB 1.289 30.009 28.738 -0.031 0.000 1.249 17 Q HN 0.279 nan 8.270 nan 0.000 0.458 18 K N 1.103 121.495 120.400 -0.013 0.000 2.249 18 K HA 0.391 4.711 4.320 0.001 0.000 0.280 18 K C -0.383 176.213 176.600 -0.007 0.000 1.033 18 K CA -0.293 55.991 56.287 -0.006 0.000 0.946 18 K CB 0.903 33.407 32.500 0.008 0.000 1.005 18 K HN 0.432 nan 8.250 nan 0.000 0.469 19 V N -1.029 118.883 119.914 -0.003 0.000 3.182 19 V HA 0.578 4.698 4.120 0.001 0.000 0.308 19 V C -1.326 174.808 176.094 0.066 0.000 1.240 19 V CA -1.195 61.126 62.300 0.034 0.000 1.063 19 V CB 2.027 33.795 31.823 -0.092 0.000 1.076 19 V HN 0.631 nan 8.190 nan 0.000 0.446 20 K N 1.019 121.488 120.400 0.114 0.000 2.463 20 K HA 0.780 5.100 4.320 0.001 0.000 0.255 20 K C -0.944 175.702 176.600 0.076 0.000 0.942 20 K CA -0.542 55.792 56.287 0.078 0.000 0.814 20 K CB 2.086 34.623 32.500 0.063 0.000 1.122 20 K HN 1.003 nan 8.250 nan 0.000 0.425 21 V N -0.534 119.415 119.914 0.058 0.000 2.919 21 V HA 1.013 5.133 4.120 0.001 0.000 0.316 21 V C -0.703 175.400 176.094 0.015 0.000 1.077 21 V CA -0.862 61.464 62.300 0.044 0.000 0.977 21 V CB 1.676 33.549 31.823 0.083 0.000 1.039 21 V HN 0.796 nan 8.190 nan 0.000 0.441 22 A N 0.883 123.696 122.820 -0.012 0.000 2.594 22 A HA 1.063 5.383 4.320 0.001 0.000 0.295 22 A C -0.090 177.484 177.584 -0.016 0.000 1.071 22 A CA 0.035 52.045 52.037 -0.045 0.000 0.685 22 A CB 1.487 20.441 19.000 -0.077 0.000 1.285 22 A HN 2.481 nan 8.150 nan 0.000 0.405 23 G N -0.327 108.423 108.800 -0.082 0.000 2.392 23 G HA2 0.423 4.383 3.960 0.001 0.000 0.260 23 G HA3 0.423 4.383 3.960 0.001 0.000 0.260 23 G C -1.710 173.120 174.900 -0.118 0.000 1.226 23 G CA -0.605 44.514 45.100 0.032 0.000 0.913 23 G HN 0.794 nan 8.290 nan 0.000 0.483 24 W N 0.645 122.007 121.300 0.105 0.000 2.496 24 W HA 0.531 5.191 4.660 0.000 0.000 0.327 24 W C 0.024 176.647 176.519 0.173 0.000 1.086 24 W CA -0.656 56.764 57.345 0.125 0.000 1.222 24 W CB 1.904 31.448 29.460 0.140 0.000 1.304 24 W HN 0.268 nan 8.180 nan 0.000 0.547 25 V N 4.161 124.264 119.914 0.316 0.000 2.458 25 V HA -0.194 3.927 4.120 0.001 0.000 0.287 25 V C 0.844 177.164 176.094 0.376 0.000 1.009 25 V CA 0.703 63.173 62.300 0.283 0.000 1.091 25 V CB 0.406 32.328 31.823 0.166 0.000 0.960 25 V HN 0.742 nan 8.190 nan 0.000 0.476 26 W N 4.841 126.260 121.300 0.198 0.000 2.580 26 W HA 0.228 4.889 4.660 0.001 0.000 0.287 26 W C 0.708 177.312 176.519 0.141 0.000 1.175 26 W CA 0.427 57.870 57.345 0.162 0.000 1.409 26 W CB 0.731 30.293 29.460 0.170 0.000 1.101 26 W HN 0.618 nan 8.180 nan 0.000 0.558 27 E N 0.532 120.880 120.200 0.247 0.000 2.375 27 E HA 0.347 4.697 4.350 0.001 0.000 0.280 27 E C -2.012 174.828 176.600 0.400 0.000 0.972 27 E CA -0.427 56.053 56.400 0.133 0.000 0.782 27 E CB 2.437 32.095 29.700 -0.070 0.000 1.229 27 E HN -0.230 nan 8.360 nan 0.000 0.439 28 V N 3.360 123.424 119.914 0.251 0.000 2.588 28 V HA 0.432 4.552 4.120 0.001 0.000 0.304 28 V C -0.677 175.560 176.094 0.239 0.000 1.042 28 V CA -0.785 61.656 62.300 0.234 0.000 0.877 28 V CB 1.900 33.782 31.823 0.098 0.000 0.996 28 V HN 0.583 nan 8.190 nan 0.000 0.425 29 K N 2.716 123.297 120.400 0.301 0.000 2.464 29 K HA 0.363 4.684 4.320 0.001 0.000 0.252 29 K C -0.950 175.744 176.600 0.156 0.000 1.000 29 K CA -0.494 55.965 56.287 0.288 0.000 0.951 29 K CB 0.712 33.514 32.500 0.504 0.000 1.183 29 K HN 0.704 nan 8.250 nan 0.000 0.445 30 D N 5.472 125.913 120.400 0.069 0.000 2.441 30 D HA 0.205 4.846 4.640 0.001 0.000 0.221 30 D C -0.823 175.481 176.300 0.007 0.000 1.156 30 D CA -0.111 53.878 54.000 -0.017 0.000 0.896 30 D CB 0.200 40.979 40.800 -0.036 0.000 1.028 30 D HN 0.424 nan 8.370 nan 0.000 0.509 31 L N 1.977 123.202 121.223 0.003 0.000 2.333 31 L HA 0.521 4.862 4.340 0.001 0.000 0.269 31 L C 1.901 178.802 176.870 0.051 0.000 1.010 31 L CA -1.189 53.682 54.840 0.051 0.000 0.818 31 L CB 1.954 44.083 42.059 0.116 0.000 1.306 31 L HN 0.378 nan 8.230 nan 0.000 0.430 32 G N 0.787 109.638 108.800 0.085 0.000 2.446 32 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 32 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 32 G C 1.134 176.174 174.900 0.233 0.000 1.168 32 G CA 1.006 46.184 45.100 0.131 0.000 0.771 32 G HN 0.841 nan 8.290 nan 0.000 0.551 33 G N -0.977 107.929 108.800 0.178 0.000 3.126 33 G HA2 0.499 4.459 3.960 0.001 0.000 0.224 33 G HA3 0.499 4.459 3.960 0.001 0.000 0.224 33 G C 0.022 175.039 174.900 0.195 0.000 1.142 33 G CA 0.007 45.202 45.100 0.158 0.000 0.759 33 G HN 0.468 nan 8.290 nan 0.000 0.550 34 I N -1.259 119.435 120.570 0.207 0.000 2.882 34 I HA 0.525 4.695 4.170 0.001 0.000 0.298 34 I C -2.006 174.018 176.117 -0.154 0.000 1.462 34 I CA -1.053 60.276 61.300 0.048 0.000 1.000 34 I CB 2.247 40.145 38.000 -0.171 0.000 1.340 34 I HN -0.187 nan 8.210 nan 0.000 0.462 35 K N 5.125 125.322 120.400 -0.339 0.000 2.427 35 K HA 0.595 4.915 4.320 0.001 0.000 0.252 35 K C -1.859 174.414 176.600 -0.544 0.000 0.931 35 K CA -0.355 55.705 56.287 -0.378 0.000 0.793 35 K CB 2.077 34.329 32.500 -0.414 0.000 1.211 35 K HN 0.301 nan 8.250 nan 0.000 0.426 36 F N 2.864 122.710 119.950 -0.174 0.000 2.495 36 F HA 0.507 5.034 4.527 0.000 0.000 0.327 36 F C -0.617 174.921 175.800 -0.437 0.000 1.103 36 F CA -1.090 56.663 58.000 -0.413 0.000 0.949 36 F CB 1.404 40.085 39.000 -0.531 0.000 1.142 36 F HN 0.176 nan 8.300 nan 0.000 0.457 37 L N 4.208 125.198 121.223 -0.389 0.000 2.409 37 L HA 0.550 4.891 4.340 0.001 0.000 0.272 37 L C -1.952 174.753 176.870 -0.275 0.000 0.980 37 L CA -0.841 53.890 54.840 -0.182 0.000 0.826 37 L CB 1.345 43.349 42.059 -0.092 0.000 1.268 37 L HN 0.535 nan 8.230 nan 0.000 0.407 38 W N 7.401 128.801 121.300 0.166 0.000 2.532 38 W HA 0.578 5.239 4.660 0.000 0.000 0.321 38 W C -0.327 176.333 176.519 0.234 0.000 1.037 38 W CA -0.693 56.771 57.345 0.198 0.000 1.220 38 W CB 1.863 31.503 29.460 0.300 0.000 1.361 38 W HN 0.551 nan 8.180 nan 0.000 0.468 39 I N 0.594 121.371 120.570 0.345 0.000 2.603 39 I HA 0.673 4.844 4.170 0.001 0.000 0.300 39 I C -0.521 175.751 176.117 0.259 0.000 1.017 39 I CA -1.234 60.245 61.300 0.300 0.000 1.098 39 I CB 2.547 40.658 38.000 0.186 0.000 1.279 39 I HN 0.301 nan 8.210 nan 0.000 0.437 40 R N 3.610 124.282 120.500 0.286 0.000 2.387 40 R HA 0.403 4.743 4.340 0.001 0.000 0.314 40 R C -1.368 175.115 176.300 0.305 0.000 0.958 40 R CA -0.374 55.830 56.100 0.173 0.000 0.846 40 R CB 1.322 31.652 30.300 0.050 0.000 1.147 40 R HN 0.945 nan 8.270 nan 0.000 0.447 41 D N 2.550 123.099 120.400 0.247 0.000 2.650 41 D HA 0.122 4.762 4.640 0.001 0.000 0.255 41 D C 0.881 177.316 176.300 0.224 0.000 1.135 41 D CA -0.795 53.423 54.000 0.363 0.000 1.099 41 D CB 0.480 41.539 40.800 0.431 0.000 1.273 41 D HN 0.572 nan 8.370 nan 0.000 0.628 42 R N -0.705 119.945 120.500 0.250 0.000 2.193 42 R HA -0.091 4.249 4.340 0.001 0.000 0.229 42 R C -0.079 176.215 176.300 -0.010 0.000 1.110 42 R CA 1.329 57.462 56.100 0.055 0.000 0.988 42 R CB -0.436 29.861 30.300 -0.005 0.000 0.871 42 R HN 0.269 nan 8.270 nan 0.000 0.458 43 D N -0.146 120.271 120.400 0.028 0.000 2.366 43 D HA 0.220 4.861 4.640 0.001 0.000 0.205 43 D C 0.863 177.169 176.300 0.010 0.000 1.022 43 D CA 1.168 55.172 54.000 0.006 0.000 0.868 43 D CB 1.170 41.985 40.800 0.026 0.000 0.953 43 D HN 0.488 nan 8.370 nan 0.000 0.514 44 G N -0.265 108.544 108.800 0.015 0.000 2.398 44 G HA2 0.191 4.151 3.960 0.001 0.000 0.251 44 G HA3 0.191 4.151 3.960 0.001 0.000 0.251 44 G C -1.650 173.218 174.900 -0.053 0.000 1.277 44 G CA -0.790 44.280 45.100 -0.050 0.000 0.927 44 G HN -0.066 nan 8.290 nan 0.000 0.477 45 I N 0.581 121.097 120.570 -0.089 0.000 2.607 45 I HA 0.754 4.924 4.170 0.001 0.000 0.305 45 I C -0.202 175.932 176.117 0.029 0.000 0.995 45 I CA -0.969 60.300 61.300 -0.052 0.000 1.148 45 I CB 1.211 39.123 38.000 -0.146 0.000 1.323 45 I HN 0.566 nan 8.210 nan 0.000 0.461 46 V N 5.553 125.527 119.914 0.099 0.000 2.760 46 V HA 0.382 4.503 4.120 0.001 0.000 0.309 46 V C -0.658 175.457 176.094 0.036 0.000 1.077 46 V CA -0.450 61.864 62.300 0.025 0.000 0.910 46 V CB 2.137 34.009 31.823 0.081 0.000 1.008 46 V HN 0.907 nan 8.190 nan 0.000 0.424 47 Q N 5.528 125.267 119.800 -0.102 0.000 2.256 47 Q HA 0.493 4.833 4.340 0.001 0.000 0.254 47 Q C -1.273 174.583 176.000 -0.239 0.000 0.916 47 Q CA -0.664 54.958 55.803 -0.301 0.000 0.932 47 Q CB 1.369 29.979 28.738 -0.214 0.000 1.207 47 Q HN 0.712 nan 8.270 nan 0.000 0.426 48 I N 3.866 124.249 120.570 -0.311 0.000 2.362 48 I HA 0.268 4.439 4.170 0.001 0.000 0.289 48 I C -0.411 175.576 176.117 -0.216 0.000 0.994 48 I CA -0.387 60.804 61.300 -0.182 0.000 1.158 48 I CB 1.376 39.295 38.000 -0.134 0.000 1.315 48 I HN 0.579 nan 8.210 nan 0.000 0.451 49 T N 5.716 120.185 114.554 -0.143 0.000 2.770 49 T HA 0.626 4.976 4.350 0.001 0.000 0.283 49 T C 0.184 174.769 174.700 -0.190 0.000 0.988 49 T CA -0.493 61.494 62.100 -0.187 0.000 0.957 49 T CB 1.504 70.340 68.868 -0.053 0.000 0.930 49 T HN 0.676 nan 8.240 nan 0.000 0.443 50 A N 5.699 128.354 122.820 -0.274 0.000 2.802 50 A HA 0.653 4.974 4.320 0.001 0.000 0.344 50 A C -2.879 174.669 177.584 -0.061 0.000 1.215 50 A CA -1.710 50.253 52.037 -0.124 0.000 0.821 50 A CB 0.260 19.225 19.000 -0.059 0.000 1.099 50 A HN 0.433 nan 8.150 nan 0.000 0.479 51 P HA 0.150 nan 4.420 nan 0.000 0.275 51 P C 0.834 178.091 177.300 -0.071 0.000 1.227 51 P CA -0.292 62.775 63.100 -0.055 0.000 0.781 51 P CB 1.044 32.702 31.700 -0.069 0.000 0.906 52 K N 2.829 123.123 120.400 -0.176 0.000 2.113 52 K HA -0.208 4.112 4.320 0.001 0.000 0.208 52 K C 1.197 177.554 176.600 -0.404 0.000 1.047 52 K CA 1.707 57.585 56.287 -0.681 0.000 0.928 52 K CB -0.047 31.975 32.500 -0.797 0.000 0.716 52 K HN 0.303 nan 8.250 nan 0.000 0.446 53 K N -0.038 120.228 120.400 -0.222 0.000 2.288 53 K HA -0.076 4.244 4.320 0.001 0.000 0.201 53 K C 1.424 177.956 176.600 -0.113 0.000 1.048 53 K CA 1.006 57.203 56.287 -0.150 0.000 0.956 53 K CB 0.185 32.627 32.500 -0.096 0.000 0.746 53 K HN 0.094 nan 8.250 nan 0.000 0.461 54 K N 0.496 120.835 120.400 -0.102 0.000 2.374 54 K HA 0.082 4.402 4.320 0.001 0.000 0.202 54 K C 0.090 176.658 176.600 -0.053 0.000 1.040 54 K CA -0.007 56.240 56.287 -0.065 0.000 1.085 54 K CB 1.198 33.671 32.500 -0.045 0.000 0.873 54 K HN -0.015 nan 8.250 nan 0.000 0.539 55 V N -1.057 118.820 119.914 -0.063 0.000 2.919 55 V HA 0.357 4.477 4.120 0.001 0.000 0.316 55 V C -0.613 175.464 176.094 -0.028 0.000 1.077 55 V CA -1.338 60.949 62.300 -0.022 0.000 0.977 55 V CB 1.736 33.580 31.823 0.036 0.000 1.039 55 V HN 0.026 nan 8.190 nan 0.000 0.441 56 D N 2.931 123.331 120.400 -0.000 0.000 2.493 56 D HA 0.220 4.860 4.640 0.001 0.000 0.240 56 D C -1.637 174.682 176.300 0.030 0.000 1.142 56 D CA -0.970 53.031 54.000 0.003 0.000 0.872 56 D CB 1.503 42.309 40.800 0.010 0.000 1.173 56 D HN 0.382 nan 8.370 nan 0.000 0.467 57 P HA -0.180 nan 4.420 nan 0.000 0.216 57 P C 0.897 178.259 177.300 0.102 0.000 1.153 57 P CA 1.137 64.264 63.100 0.045 0.000 0.858 57 P CB 0.169 31.873 31.700 0.007 0.000 0.789 58 E N -0.664 119.572 120.200 0.060 0.000 2.110 58 E HA -0.140 4.211 4.350 0.001 0.000 0.193 58 E C 2.077 178.710 176.600 0.055 0.000 0.988 58 E CA 0.782 57.212 56.400 0.050 0.000 0.804 58 E CB -1.061 28.655 29.700 0.027 0.000 0.745 58 E HN 0.295 nan 8.360 nan 0.000 0.458 59 L N -0.104 121.157 121.223 0.063 0.000 2.056 59 L HA -0.130 4.211 4.340 0.001 0.000 0.207 59 L C 2.376 179.290 176.870 0.074 0.000 1.078 59 L CA 0.947 55.818 54.840 0.051 0.000 0.749 59 L CB -0.203 41.882 42.059 0.044 0.000 0.901 59 L HN -0.014 nan 8.230 nan 0.000 0.433 60 F N 0.926 120.849 119.950 -0.044 0.000 2.126 60 F HA -0.255 4.273 4.527 0.000 0.000 0.299 60 F C 2.300 178.077 175.800 -0.039 0.000 1.096 60 F CA 1.872 59.842 58.000 -0.051 0.000 1.255 60 F CB -0.109 38.861 39.000 -0.049 0.000 0.997 60 F HN -0.014 nan 8.300 nan 0.000 0.479 61 K N -0.558 119.883 120.400 0.069 0.000 2.228 61 K HA -0.080 4.240 4.320 0.001 0.000 0.202 61 K C 1.840 178.408 176.600 -0.053 0.000 1.051 61 K CA 0.998 57.277 56.287 -0.012 0.000 0.960 61 K CB -0.326 32.202 32.500 0.047 0.000 0.743 61 K HN 0.254 nan 8.250 nan 0.000 0.458 62 L N 1.707 122.908 121.223 -0.037 0.000 2.027 62 L HA -0.077 4.263 4.340 0.001 0.000 0.206 62 L C 1.860 178.691 176.870 -0.064 0.000 1.074 62 L CA 1.427 56.243 54.840 -0.040 0.000 0.745 62 L CB -0.270 41.775 42.059 -0.023 0.000 0.898 62 L HN 0.091 nan 8.230 nan 0.000 0.433 63 I N 0.951 121.464 120.570 -0.096 0.000 2.113 63 I HA -0.260 3.911 4.170 0.001 0.000 0.242 63 I C -0.374 175.688 176.117 -0.092 0.000 1.064 63 I CA 1.786 63.024 61.300 -0.103 0.000 1.320 63 I CB -1.874 36.037 38.000 -0.148 0.000 1.028 63 I HN 0.323 nan 8.210 nan 0.000 0.406 64 P HA -0.128 nan 4.420 nan 0.000 0.234 64 P C 1.024 178.293 177.300 -0.051 0.000 1.167 64 P CA 1.334 64.381 63.100 -0.088 0.000 0.763 64 P CB -0.102 31.527 31.700 -0.118 0.000 0.835 65 K N -0.691 119.682 120.400 -0.046 0.000 2.361 65 K HA 0.118 4.438 4.320 0.001 0.000 0.196 65 K C 1.020 177.610 176.600 -0.018 0.000 1.039 65 K CA 0.013 56.283 56.287 -0.028 0.000 1.001 65 K CB -0.127 32.357 32.500 -0.026 0.000 0.795 65 K HN 0.202 nan 8.250 nan 0.000 0.495 66 L N 2.178 123.391 121.223 -0.017 0.000 2.456 66 L HA 0.082 4.422 4.340 0.001 0.000 0.272 66 L C 0.623 177.500 176.870 0.011 0.000 1.189 66 L CA -0.044 54.795 54.840 -0.001 0.000 0.846 66 L CB 0.205 42.267 42.059 0.004 0.000 1.111 66 L HN 0.057 nan 8.230 nan 0.000 0.475 67 R N 0.962 121.476 120.500 0.022 0.000 2.919 67 R HA 0.421 4.761 4.340 0.001 0.000 0.260 67 R C -0.656 175.676 176.300 0.052 0.000 1.067 67 R CA -0.981 55.135 56.100 0.028 0.000 1.003 67 R CB 1.713 32.027 30.300 0.022 0.000 1.192 67 R HN 0.509 nan 8.270 nan 0.000 0.488 68 S N 2.492 118.219 115.700 0.045 0.000 2.546 68 S HA -0.001 4.469 4.470 0.001 0.000 0.290 68 S C 0.245 174.923 174.600 0.129 0.000 1.290 68 S CA 0.377 58.619 58.200 0.069 0.000 1.069 68 S CB 0.159 63.367 63.200 0.013 0.000 0.846 68 S HN 0.491 nan 8.310 nan 0.000 0.495 69 E N -0.234 120.097 120.200 0.219 0.000 3.801 69 E HA -0.163 4.187 4.350 0.001 0.000 0.319 69 E C -0.679 176.100 176.600 0.298 0.000 0.784 69 E CA 0.726 57.334 56.400 0.347 0.000 1.183 69 E CB -1.559 28.319 29.700 0.297 0.000 1.601 69 E HN 0.654 nan 8.360 nan 0.000 0.441 70 D N 0.169 120.656 120.400 0.145 0.000 2.372 70 D HA 0.234 4.874 4.640 0.001 0.000 0.243 70 D C 0.299 176.541 176.300 -0.098 0.000 1.121 70 D CA -0.075 53.942 54.000 0.028 0.000 0.898 70 D CB 1.021 41.825 40.800 0.006 0.000 1.202 70 D HN -0.187 nan 8.370 nan 0.000 0.428 71 V N 2.505 122.268 119.914 -0.251 0.000 2.407 71 V HA 0.402 4.522 4.120 0.001 0.000 0.278 71 V C 0.396 176.300 176.094 -0.316 0.000 1.037 71 V CA -0.504 61.502 62.300 -0.489 0.000 0.900 71 V CB 1.202 32.650 31.823 -0.626 0.000 0.983 71 V HN 0.399 nan 8.190 nan 0.000 0.459 72 V N 2.141 121.889 119.914 -0.278 0.000 3.130 72 V HA 1.068 5.188 4.120 0.001 0.000 0.310 72 V C -0.328 175.655 176.094 -0.184 0.000 1.158 72 V CA -0.929 61.254 62.300 -0.194 0.000 1.029 72 V CB 2.000 33.764 31.823 -0.098 0.000 1.057 72 V HN 1.056 nan 8.190 nan 0.000 0.436 73 A N 1.731 124.463 122.820 -0.147 0.000 2.386 73 A HA 0.940 5.261 4.320 0.001 0.000 0.311 73 A C -1.032 176.542 177.584 -0.016 0.000 1.068 73 A CA -0.707 51.285 52.037 -0.075 0.000 0.743 73 A CB 1.978 20.941 19.000 -0.063 0.000 1.258 73 A HN 1.541 nan 8.150 nan 0.000 0.429 74 V N 1.775 121.696 119.914 0.012 0.000 2.623 74 V HA 0.444 4.565 4.120 0.001 0.000 0.304 74 V C -0.303 175.811 176.094 0.033 0.000 1.054 74 V CA -0.526 61.785 62.300 0.018 0.000 0.882 74 V CB 1.713 33.542 31.823 0.010 0.000 1.002 74 V HN 0.993 nan 8.190 nan 0.000 0.424 75 E N 2.628 122.847 120.200 0.031 0.000 2.166 75 E HA 0.751 5.101 4.350 0.001 0.000 0.275 75 E C -0.098 176.515 176.600 0.021 0.000 0.941 75 E CA -0.183 56.236 56.400 0.032 0.000 0.784 75 E CB 1.904 31.622 29.700 0.031 0.000 1.115 75 E HN 0.935 nan 8.360 nan 0.000 0.399 76 G N 1.559 110.371 108.800 0.020 0.000 2.548 76 G HA2 0.355 4.315 3.960 0.001 0.000 0.301 76 G HA3 0.355 4.315 3.960 0.001 0.000 0.301 76 G C -1.461 173.445 174.900 0.009 0.000 1.349 76 G CA -0.601 44.506 45.100 0.013 0.000 0.792 76 G HN 0.410 nan 8.290 nan 0.000 0.481 77 V N 0.441 120.360 119.914 0.009 0.000 2.439 77 V HA 0.432 4.553 4.120 0.001 0.000 0.282 77 V C 0.436 176.538 176.094 0.014 0.000 1.039 77 V CA -0.626 61.678 62.300 0.007 0.000 0.913 77 V CB 1.459 33.288 31.823 0.011 0.000 0.983 77 V HN 0.566 nan 8.190 nan 0.000 0.460 78 V N 5.148 125.061 119.914 -0.001 0.000 2.521 78 V HA 0.179 4.299 4.120 0.001 0.000 0.286 78 V C 0.481 176.611 176.094 0.060 0.000 1.034 78 V CA -0.022 62.275 62.300 -0.005 0.000 1.045 78 V CB 0.759 32.538 31.823 -0.074 0.000 0.974 78 V HN 0.954 nan 8.190 nan 0.000 0.480 79 N N 4.548 123.291 118.700 0.072 0.000 2.576 79 N HA 0.339 5.080 4.740 0.001 0.000 0.269 79 N C -1.198 174.381 175.510 0.116 0.000 1.058 79 N CA -0.480 52.638 53.050 0.114 0.000 0.860 79 N CB 0.835 39.370 38.487 0.080 0.000 1.249 79 N HN 0.450 nan 8.380 nan 0.000 0.525 80 F N 1.700 121.715 119.950 0.108 0.000 2.456 80 F HA 0.233 4.763 4.527 0.005 0.000 0.358 80 F C 1.269 177.135 175.800 0.109 0.000 1.095 80 F CA 0.615 58.701 58.000 0.143 0.000 1.216 80 F CB 1.519 40.574 39.000 0.091 0.000 1.125 80 F HN 0.219 nan 8.300 nan 0.000 0.549 81 T N 4.387 119.063 114.554 0.203 0.000 3.047 81 T HA 0.300 4.651 4.350 0.001 0.000 0.340 81 T C -2.366 172.403 174.700 0.115 0.000 1.421 81 T CA -1.412 60.774 62.100 0.143 0.000 1.090 81 T CB 1.745 70.674 68.868 0.101 0.000 1.292 81 T HN 0.187 nan 8.240 nan 0.000 0.480 82 P HA 0.129 nan 4.420 nan 0.000 0.223 82 P C 0.969 178.304 177.300 0.059 0.000 1.151 82 P CA 0.695 63.843 63.100 0.079 0.000 0.787 82 P CB 0.161 31.902 31.700 0.069 0.000 0.788 83 K N -0.510 119.926 120.400 0.060 0.000 2.362 83 K HA 0.069 4.390 4.320 0.001 0.000 0.200 83 K C 0.852 177.479 176.600 0.044 0.000 1.046 83 K CA 0.380 56.699 56.287 0.053 0.000 0.952 83 K CB -0.181 32.359 32.500 0.068 0.000 0.753 83 K HN 0.074 nan 8.250 nan 0.000 0.466 84 A N 1.107 123.948 122.820 0.035 0.000 2.260 84 A HA 0.142 4.462 4.320 0.001 0.000 0.308 84 A C 0.794 178.376 177.584 -0.003 0.000 1.254 84 A CA -0.480 51.563 52.037 0.010 0.000 0.874 84 A CB 0.768 19.743 19.000 -0.042 0.000 1.153 84 A HN -0.075 nan 8.150 nan 0.000 0.527 85 K N 2.014 122.418 120.400 0.006 0.000 2.218 85 K HA -0.082 4.238 4.320 0.001 0.000 0.205 85 K C 0.859 177.442 176.600 -0.028 0.000 1.046 85 K CA 1.599 57.882 56.287 -0.006 0.000 0.933 85 K CB -0.183 32.313 32.500 -0.007 0.000 0.728 85 K HN 0.808 nan 8.250 nan 0.000 0.454 86 L N -0.908 120.268 121.223 -0.079 0.000 2.653 86 L HA 0.155 4.496 4.340 0.001 0.000 0.231 86 L C 1.275 178.057 176.870 -0.148 0.000 1.153 86 L CA 0.351 55.109 54.840 -0.136 0.000 0.933 86 L CB 0.227 42.144 42.059 -0.237 0.000 1.175 86 L HN 0.332 nan 8.230 nan 0.000 0.473 87 G N 1.182 109.942 108.800 -0.067 0.000 2.299 87 G HA2 -0.328 3.633 3.960 0.001 0.000 0.237 87 G HA3 -0.328 3.633 3.960 0.001 0.000 0.237 87 G C 0.151 175.020 174.900 -0.052 0.000 1.027 87 G CA 0.336 45.467 45.100 0.052 0.000 0.619 87 G HN 0.376 nan 8.290 nan 0.000 0.513 88 F N 0.042 119.788 119.950 -0.341 0.000 2.745 88 F HA 0.845 5.374 4.527 0.003 0.000 0.316 88 F C -0.758 174.889 175.800 -0.255 0.000 1.155 88 F CA -0.715 56.971 58.000 -0.524 0.000 0.937 88 F CB 0.981 39.211 39.000 -1.283 0.000 1.361 88 F HN 0.472 nan 8.300 nan 0.000 0.472 89 E N 1.231 121.444 120.200 0.021 0.000 2.429 89 E HA 0.585 4.936 4.350 0.001 0.000 0.276 89 E C -1.969 174.701 176.600 0.117 0.000 0.953 89 E CA -1.054 55.343 56.400 -0.006 0.000 0.787 89 E CB 2.828 32.520 29.700 -0.015 0.000 1.307 89 E HN 0.573 nan 8.360 nan 0.000 0.458 90 I N 2.183 122.787 120.570 0.057 0.000 2.378 90 I HA 0.268 4.438 4.170 0.001 0.000 0.291 90 I C -0.259 175.862 176.117 0.006 0.000 0.992 90 I CA -0.849 60.484 61.300 0.055 0.000 1.154 90 I CB 1.257 39.293 38.000 0.060 0.000 1.315 90 I HN 0.558 nan 8.210 nan 0.000 0.448 91 L N 8.256 129.484 121.223 0.009 0.000 2.282 91 L HA 0.314 4.654 4.340 0.001 0.000 0.287 91 L C -2.034 174.833 176.870 -0.006 0.000 1.075 91 L CA -1.656 53.180 54.840 -0.006 0.000 0.839 91 L CB 0.531 42.591 42.059 0.002 0.000 1.219 91 L HN 0.285 nan 8.230 nan 0.000 0.434 92 P HA 0.067 nan 4.420 nan 0.000 0.271 92 P C -0.358 176.941 177.300 -0.002 0.000 1.220 92 P CA 0.020 63.115 63.100 -0.008 0.000 0.768 92 P CB 1.457 33.145 31.700 -0.018 0.000 0.848 93 E N 1.762 121.964 120.200 0.003 0.000 2.364 93 E HA 0.142 4.493 4.350 0.001 0.000 0.203 93 E C 0.392 176.997 176.600 0.008 0.000 0.888 93 E CA 0.245 56.648 56.400 0.005 0.000 0.989 93 E CB 0.544 30.248 29.700 0.006 0.000 0.985 93 E HN 0.435 nan 8.360 nan 0.000 0.499 94 K N 0.962 121.368 120.400 0.010 0.000 2.525 94 K HA 0.494 4.815 4.320 0.001 0.000 0.254 94 K C -1.526 175.081 176.600 0.011 0.000 0.934 94 K CA -0.407 55.888 56.287 0.014 0.000 0.802 94 K CB 2.308 34.821 32.500 0.021 0.000 1.295 94 K HN -0.090 nan 8.250 nan 0.000 0.433 95 I N 2.772 123.345 120.570 0.005 0.000 2.499 95 I HA 0.338 4.509 4.170 0.001 0.000 0.288 95 I C -0.812 175.297 176.117 -0.013 0.000 1.048 95 I CA -1.136 60.160 61.300 -0.007 0.000 1.062 95 I CB 2.192 40.182 38.000 -0.017 0.000 1.238 95 I HN 0.143 nan 8.210 nan 0.000 0.426 96 V N 6.629 126.525 119.914 -0.030 0.000 2.495 96 V HA 0.361 4.482 4.120 0.001 0.000 0.298 96 V C -0.100 175.930 176.094 -0.108 0.000 1.031 96 V CA -0.790 61.479 62.300 -0.053 0.000 0.871 96 V CB 2.228 34.028 31.823 -0.040 0.000 0.988 96 V HN 0.378 nan 8.190 nan 0.000 0.432 97 V N 6.460 126.315 119.914 -0.098 0.000 2.353 97 V HA 0.237 4.357 4.120 0.001 0.000 0.264 97 V C 1.014 177.015 176.094 -0.155 0.000 1.049 97 V CA -0.003 62.228 62.300 -0.115 0.000 0.896 97 V CB 0.928 32.706 31.823 -0.074 0.000 1.025 97 V HN 0.761 nan 8.190 nan 0.000 0.475 98 L N 3.035 124.120 121.223 -0.230 0.000 2.131 98 L HA 0.197 4.537 4.340 0.001 0.000 0.206 98 L C 0.874 177.635 176.870 -0.182 0.000 1.087 98 L CA 0.971 55.648 54.840 -0.272 0.000 0.767 98 L CB 0.027 41.838 42.059 -0.414 0.000 0.917 98 L HN 0.655 nan 8.230 nan 0.000 0.441 99 N N -0.795 117.809 118.700 -0.159 0.000 2.555 99 N HA 0.276 5.017 4.740 0.001 0.000 0.265 99 N C -1.375 174.094 175.510 -0.069 0.000 1.135 99 N CA -0.555 52.435 53.050 -0.099 0.000 0.925 99 N CB 1.654 40.086 38.487 -0.091 0.000 1.662 99 N HN -0.105 nan 8.380 nan 0.000 0.489 100 R N 0.956 121.439 120.500 -0.029 0.000 2.474 100 R HA 0.816 5.157 4.340 0.001 0.000 0.295 100 R C -0.335 175.984 176.300 0.032 0.000 0.980 100 R CA -0.827 55.272 56.100 -0.002 0.000 0.934 100 R CB 1.443 31.741 30.300 -0.003 0.000 1.101 100 R HN 0.532 nan 8.270 nan 0.000 0.469 101 A N 2.464 125.320 122.820 0.060 0.000 2.304 101 A HA 0.296 4.616 4.320 0.001 0.000 0.301 101 A C -0.289 177.339 177.584 0.072 0.000 1.132 101 A CA -0.609 51.484 52.037 0.094 0.000 0.819 101 A CB 0.610 19.696 19.000 0.144 0.000 1.094 101 A HN 0.738 nan 8.150 nan 0.000 0.492 102 E N 0.037 120.283 120.200 0.077 0.000 2.312 102 E HA 0.532 4.883 4.350 0.001 0.000 0.259 102 E C -0.226 176.410 176.600 0.060 0.000 1.122 102 E CA -0.313 56.123 56.400 0.059 0.000 0.922 102 E CB 1.242 30.977 29.700 0.057 0.000 1.109 102 E HN 0.748 nan 8.360 nan 0.000 0.442 103 T N -0.997 113.583 114.554 0.043 0.000 2.900 103 T HA 0.536 4.887 4.350 0.001 0.000 0.295 103 T C -2.264 172.453 174.700 0.030 0.000 1.044 103 T CA -1.527 60.595 62.100 0.035 0.000 0.995 103 T CB 1.277 70.158 68.868 0.023 0.000 1.072 103 T HN 0.303 nan 8.240 nan 0.000 0.473 104 P HA 0.492 nan 4.420 nan 0.000 0.278 104 P C -0.593 176.727 177.300 0.035 0.000 1.258 104 P CA -0.794 62.320 63.100 0.023 0.000 0.811 104 P CB 0.884 32.592 31.700 0.013 0.000 1.063 105 L N 1.772 123.012 121.223 0.029 0.000 2.436 105 L HA 0.153 4.494 4.340 0.001 0.000 0.265 105 L C -1.010 175.866 176.870 0.011 0.000 1.168 105 L CA -1.464 53.396 54.840 0.033 0.000 0.815 105 L CB 0.073 42.144 42.059 0.019 0.000 1.109 105 L HN 0.315 nan 8.230 nan 0.000 0.462 106 P HA 0.003 nan 4.420 nan 0.000 0.218 106 P C -0.348 176.918 177.300 -0.057 0.000 1.149 106 P CA 1.120 64.208 63.100 -0.020 0.000 0.817 106 P CB 0.297 31.972 31.700 -0.042 0.000 0.785 107 L N -2.214 118.956 121.223 -0.089 0.000 2.341 107 L HA 0.442 4.782 4.340 0.001 0.000 0.254 107 L C -0.612 176.222 176.870 -0.060 0.000 1.040 107 L CA -1.150 53.639 54.840 -0.084 0.000 0.837 107 L CB 1.762 43.744 42.059 -0.130 0.000 1.425 107 L HN -0.342 nan 8.230 nan 0.000 0.414 108 D N 1.023 121.397 120.400 -0.044 0.000 2.396 108 D HA 0.288 4.929 4.640 0.001 0.000 0.225 108 D C -1.930 174.365 176.300 -0.008 0.000 1.121 108 D CA -1.924 52.060 54.000 -0.026 0.000 0.853 108 D CB 1.638 42.423 40.800 -0.025 0.000 1.043 108 D HN 0.114 nan 8.370 nan 0.000 0.500 109 P HA -0.052 nan 4.420 nan 0.000 0.230 109 P C 1.075 178.492 177.300 0.195 0.000 1.158 109 P CA 0.893 64.042 63.100 0.080 0.000 0.769 109 P CB 0.152 31.924 31.700 0.120 0.000 0.807 110 T N -5.516 109.115 114.554 0.129 0.000 3.081 110 T HA 0.241 4.592 4.350 0.001 0.000 0.255 110 T C 1.700 176.471 174.700 0.119 0.000 1.113 110 T CA 0.691 62.895 62.100 0.172 0.000 1.082 110 T CB -0.879 67.960 68.868 -0.047 0.000 0.939 110 T HN 0.202 nan 8.240 nan 0.000 0.506 111 G N 1.533 110.367 108.800 0.057 0.000 2.179 111 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 111 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 111 G C 0.887 175.791 174.900 0.008 0.000 0.977 111 G CA 0.637 45.753 45.100 0.027 0.000 0.641 111 G HN 0.572 nan 8.290 nan 0.000 0.533 112 K N -0.450 119.950 120.400 -0.000 0.000 1.984 112 K HA 0.151 4.472 4.320 0.001 0.000 0.209 112 K C 1.139 177.729 176.600 -0.017 0.000 1.046 112 K CA 1.460 57.738 56.287 -0.014 0.000 0.934 112 K CB 0.013 32.495 32.500 -0.028 0.000 0.717 112 K HN 0.288 nan 8.250 nan 0.000 0.438 113 V N 3.762 123.665 119.914 -0.019 0.000 2.368 113 V HA 0.071 4.191 4.120 0.001 0.000 0.266 113 V C -0.069 176.014 176.094 -0.018 0.000 1.045 113 V CA -0.597 61.691 62.300 -0.019 0.000 0.899 113 V CB 0.875 32.685 31.823 -0.022 0.000 1.006 113 V HN 0.160 nan 8.190 nan 0.000 0.470 114 K N 3.651 124.041 120.400 -0.017 0.000 2.237 114 K HA 0.693 5.014 4.320 0.001 0.000 0.270 114 K C 0.055 176.644 176.600 -0.019 0.000 1.015 114 K CA 0.028 56.304 56.287 -0.018 0.000 0.949 114 K CB 1.589 34.079 32.500 -0.016 0.000 0.976 114 K HN 0.732 nan 8.250 nan 0.000 0.472 115 A N 2.180 124.986 122.820 -0.022 0.000 2.413 115 A HA 0.424 4.745 4.320 0.001 0.000 0.307 115 A C -0.434 177.139 177.584 -0.019 0.000 1.087 115 A CA -0.753 51.271 52.037 -0.022 0.000 0.750 115 A CB 0.883 19.865 19.000 -0.029 0.000 1.296 115 A HN 0.566 nan 8.150 nan 0.000 0.423 116 E N 0.534 120.726 120.200 -0.013 0.000 2.408 116 E HA 0.062 4.412 4.350 0.001 0.000 0.259 116 E C 1.068 177.662 176.600 -0.010 0.000 1.110 116 E CA -0.405 55.989 56.400 -0.010 0.000 0.929 116 E CB 0.696 30.394 29.700 -0.004 0.000 0.971 116 E HN 0.627 nan 8.360 nan 0.000 0.438 117 L N 2.481 123.699 121.223 -0.008 0.000 2.043 117 L HA -0.240 4.101 4.340 0.001 0.000 0.212 117 L C 1.339 178.210 176.870 0.001 0.000 1.075 117 L CA 2.006 56.842 54.840 -0.006 0.000 0.752 117 L CB -0.442 41.614 42.059 -0.004 0.000 0.891 117 L HN 0.419 nan 8.230 nan 0.000 0.432 118 D N -1.192 119.213 120.400 0.008 0.000 2.123 118 D HA -0.163 4.477 4.640 0.001 0.000 0.196 118 D C 2.056 178.365 176.300 0.016 0.000 0.992 118 D CA 1.867 55.878 54.000 0.018 0.000 0.833 118 D CB -0.214 40.599 40.800 0.023 0.000 0.954 118 D HN 0.417 nan 8.370 nan 0.000 0.455 119 T N 0.593 115.150 114.554 0.004 0.000 2.777 119 T HA -0.068 4.282 4.350 0.001 0.000 0.266 119 T C 2.010 176.697 174.700 -0.021 0.000 1.040 119 T CA 0.779 62.877 62.100 -0.003 0.000 1.141 119 T CB 0.019 68.881 68.868 -0.011 0.000 0.868 119 T HN 0.151 nan 8.240 nan 0.000 0.444 120 R N 0.598 121.079 120.500 -0.031 0.000 2.092 120 R HA 0.105 4.446 4.340 0.001 0.000 0.231 120 R C 2.413 178.681 176.300 -0.052 0.000 1.119 120 R CA 0.939 57.005 56.100 -0.057 0.000 0.970 120 R CB -0.499 29.772 30.300 -0.049 0.000 0.864 120 R HN 0.344 nan 8.270 nan 0.000 0.440 121 L N 0.595 121.806 121.223 -0.019 0.000 2.141 121 L HA -0.149 4.191 4.340 0.001 0.000 0.209 121 L C 1.318 178.218 176.870 0.050 0.000 1.094 121 L CA 0.947 55.786 54.840 -0.002 0.000 0.763 121 L CB -0.309 41.765 42.059 0.026 0.000 0.908 121 L HN 0.124 nan 8.230 nan 0.000 0.437 122 D N -0.070 120.363 120.400 0.054 0.000 2.348 122 D HA -0.056 4.585 4.640 0.001 0.000 0.216 122 D C 0.582 176.950 176.300 0.114 0.000 0.970 122 D CA 0.841 54.898 54.000 0.095 0.000 0.889 122 D CB 0.022 40.864 40.800 0.071 0.000 0.912 122 D HN 0.312 nan 8.370 nan 0.000 0.524 123 N N 0.663 119.378 118.700 0.025 0.000 2.672 123 N HA 0.100 4.841 4.740 0.001 0.000 0.295 123 N C 0.838 176.212 175.510 -0.226 0.000 1.924 123 N CA -0.251 52.744 53.050 -0.091 0.000 0.851 123 N CB 1.130 39.471 38.487 -0.243 0.000 1.281 123 N HN -0.108 nan 8.380 nan 0.000 0.494 124 R N 0.327 120.806 120.500 -0.036 0.000 2.127 124 R HA -0.084 4.257 4.340 0.001 0.000 0.238 124 R C 1.744 177.975 176.300 -0.116 0.000 1.134 124 R CA 1.051 57.071 56.100 -0.135 0.000 0.975 124 R CB -0.545 29.589 30.300 -0.277 0.000 0.865 124 R HN 0.458 nan 8.270 nan 0.000 0.447 125 F N -1.245 118.683 119.950 -0.038 0.000 2.216 125 F HA -0.092 4.435 4.527 0.000 0.000 0.300 125 F C 2.019 177.766 175.800 -0.088 0.000 1.085 125 F CA 0.772 58.743 58.000 -0.048 0.000 1.326 125 F CB -0.489 38.519 39.000 0.013 0.000 1.027 125 F HN -0.205 nan 8.300 nan 0.000 0.497 126 M N 0.854 119.946 119.600 -0.846 0.000 2.193 126 M HA -0.084 4.397 4.480 0.001 0.000 0.265 126 M C 1.764 177.873 176.300 -0.319 0.000 1.071 126 M CA 1.377 56.329 55.300 -0.580 0.000 1.140 126 M CB -1.153 31.033 32.600 -0.690 0.000 1.369 126 M HN 0.227 nan 8.290 nan 0.000 0.423 127 D N 0.609 120.836 120.400 -0.288 0.000 2.123 127 D HA -0.146 4.494 4.640 0.001 0.000 0.196 127 D C 1.758 177.980 176.300 -0.130 0.000 0.992 127 D CA 1.138 55.034 54.000 -0.174 0.000 0.833 127 D CB 0.037 40.750 40.800 -0.146 0.000 0.954 127 D HN 0.157 nan 8.370 nan 0.000 0.455 128 L N 0.169 121.303 121.223 -0.148 0.000 2.551 128 L HA 0.096 4.436 4.340 0.001 0.000 0.228 128 L C 2.120 178.908 176.870 -0.138 0.000 1.153 128 L CA 0.692 55.465 54.840 -0.113 0.000 0.851 128 L CB -0.166 41.811 42.059 -0.137 0.000 0.959 128 L HN -0.022 nan 8.230 nan 0.000 0.451 129 R N -0.649 119.742 120.500 -0.182 0.000 2.280 129 R HA 0.042 4.382 4.340 0.001 0.000 0.207 129 R C 0.428 176.646 176.300 -0.136 0.000 1.043 129 R CA 0.229 56.200 56.100 -0.215 0.000 1.006 129 R CB -0.065 30.082 30.300 -0.255 0.000 0.885 129 R HN 0.271 nan 8.270 nan 0.000 0.467 130 R N 0.970 121.412 120.500 -0.096 0.000 2.265 130 R HA 0.103 4.444 4.340 0.001 0.000 0.314 130 R C -1.895 174.363 176.300 -0.071 0.000 1.053 130 R CA -1.830 54.230 56.100 -0.067 0.000 0.931 130 R CB 0.810 31.084 30.300 -0.043 0.000 1.024 130 R HN -0.120 nan 8.270 nan 0.000 0.457 131 P HA -0.278 nan 4.420 nan 0.000 0.217 131 P C 0.875 178.142 177.300 -0.056 0.000 1.151 131 P CA 1.373 64.426 63.100 -0.078 0.000 0.849 131 P CB 0.237 31.880 31.700 -0.095 0.000 0.787 132 E N -0.692 119.478 120.200 -0.050 0.000 2.150 132 E HA -0.088 4.263 4.350 0.001 0.000 0.193 132 E C 1.881 178.451 176.600 -0.050 0.000 0.985 132 E CA 1.220 57.590 56.400 -0.050 0.000 0.814 132 E CB -1.238 28.435 29.700 -0.045 0.000 0.752 132 E HN 0.158 nan 8.360 nan 0.000 0.466 133 V N 1.343 121.242 119.914 -0.025 0.000 2.379 133 V HA -0.158 3.962 4.120 0.001 0.000 0.243 133 V C 2.479 178.629 176.094 0.094 0.000 1.035 133 V CA 1.538 63.854 62.300 0.026 0.000 1.035 133 V CB -0.481 31.368 31.823 0.043 0.000 0.673 133 V HN 0.169 nan 8.190 nan 0.000 0.457 134 M N 1.584 121.215 119.600 0.051 0.000 2.149 134 M HA -0.104 4.376 4.480 0.001 0.000 0.261 134 M C 1.996 178.322 176.300 0.042 0.000 1.064 134 M CA 2.138 57.477 55.300 0.065 0.000 1.102 134 M CB -0.764 31.829 32.600 -0.012 0.000 1.369 134 M HN 0.254 nan 8.290 nan 0.000 0.408 135 A N 0.180 122.990 122.820 -0.017 0.000 1.908 135 A HA -0.151 4.169 4.320 0.001 0.000 0.218 135 A C 2.197 179.725 177.584 -0.093 0.000 1.181 135 A CA 2.102 54.110 52.037 -0.048 0.000 0.627 135 A CB -1.125 17.840 19.000 -0.060 0.000 0.818 135 A HN 0.629 nan 8.150 nan 0.000 0.445 136 I N -1.865 118.602 120.570 -0.172 0.000 2.179 136 I HA -0.248 3.922 4.170 0.001 0.000 0.242 136 I C 2.179 178.028 176.117 -0.447 0.000 1.088 136 I CA 1.432 62.513 61.300 -0.365 0.000 1.357 136 I CB -0.386 37.273 38.000 -0.568 0.000 1.051 136 I HN 0.329 nan 8.210 nan 0.000 0.409 137 F N 0.909 120.819 119.950 -0.067 0.000 2.325 137 F HA -0.096 4.431 4.527 0.000 0.000 0.299 137 F C 2.425 178.195 175.800 -0.049 0.000 1.090 137 F CA 1.046 59.005 58.000 -0.067 0.000 1.392 137 F CB -0.366 38.580 39.000 -0.090 0.000 1.053 137 F HN -0.127 nan 8.300 nan 0.000 0.521 138 K N 0.381 120.823 120.400 0.070 0.000 2.103 138 K HA -0.085 4.236 4.320 0.001 0.000 0.204 138 K C 2.006 178.631 176.600 0.042 0.000 1.052 138 K CA 1.178 57.492 56.287 0.046 0.000 0.945 138 K CB -0.234 32.277 32.500 0.018 0.000 0.722 138 K HN 0.258 nan 8.250 nan 0.000 0.443 139 I N 0.730 121.302 120.570 0.002 0.000 2.252 139 I HA -0.278 3.892 4.170 0.001 0.000 0.245 139 I C 2.650 178.798 176.117 0.052 0.000 1.102 139 I CA 0.993 62.303 61.300 0.015 0.000 1.385 139 I CB -0.182 37.791 38.000 -0.045 0.000 1.064 139 I HN 0.164 nan 8.210 nan 0.000 0.414 140 R N 0.503 121.011 120.500 0.014 0.000 2.083 140 R HA -0.222 4.119 4.340 0.001 0.000 0.237 140 R C 2.475 178.906 176.300 0.219 0.000 1.137 140 R CA 2.107 58.270 56.100 0.105 0.000 0.951 140 R CB -0.356 29.964 30.300 0.034 0.000 0.851 140 R HN 0.187 nan 8.270 nan 0.000 0.434 141 S N -0.351 115.413 115.700 0.107 0.000 2.382 141 S HA -0.109 4.361 4.470 0.001 0.000 0.228 141 S C 1.895 176.597 174.600 0.171 0.000 1.027 141 S CA 1.732 59.981 58.200 0.081 0.000 0.991 141 S CB -0.179 63.040 63.200 0.033 0.000 0.823 141 S HN 0.498 nan 8.310 nan 0.000 0.469 142 S N 0.580 116.394 115.700 0.190 0.000 2.368 142 S HA -0.049 4.421 4.470 0.001 0.000 0.224 142 S C 1.882 176.594 174.600 0.188 0.000 1.029 142 S CA 1.263 59.630 58.200 0.278 0.000 0.988 142 S CB -0.444 62.979 63.200 0.372 0.000 0.838 142 S HN 0.423 nan 8.310 nan 0.000 0.462 143 V N 1.144 121.171 119.914 0.189 0.000 2.295 143 V HA -0.175 3.946 4.120 0.001 0.000 0.246 143 V C 1.935 178.058 176.094 0.048 0.000 1.049 143 V CA 1.722 64.080 62.300 0.097 0.000 1.024 143 V CB -0.819 31.048 31.823 0.074 0.000 0.648 143 V HN 0.387 nan 8.190 nan 0.000 0.447 144 F N 0.607 120.564 119.950 0.012 0.000 2.134 144 F HA -0.171 4.356 4.527 0.000 0.000 0.299 144 F C 2.451 178.258 175.800 0.013 0.000 1.097 144 F CA 2.204 60.226 58.000 0.036 0.000 1.264 144 F CB -0.492 38.523 39.000 0.024 0.000 1.001 144 F HN 0.060 nan 8.300 nan 0.000 0.479 145 K N 0.462 120.945 120.400 0.138 0.000 2.026 145 K HA -0.162 4.158 4.320 0.001 0.000 0.208 145 K C 2.267 178.771 176.600 -0.160 0.000 1.048 145 K CA 1.304 57.582 56.287 -0.015 0.000 0.929 145 K CB -0.360 32.089 32.500 -0.086 0.000 0.713 145 K HN 0.173 nan 8.250 nan 0.000 0.439 146 A N 0.853 123.476 122.820 -0.330 0.000 1.883 146 A HA -0.127 4.193 4.320 0.001 0.000 0.217 146 A C 2.281 179.842 177.584 -0.037 0.000 1.186 146 A CA 1.797 53.656 52.037 -0.296 0.000 0.624 146 A CB -0.794 18.027 19.000 -0.298 0.000 0.822 146 A HN 0.192 nan 8.150 nan 0.000 0.444 147 V N 0.127 119.998 119.914 -0.071 0.000 2.255 147 V HA -0.310 3.811 4.120 0.001 0.000 0.247 147 V C 2.694 178.755 176.094 -0.055 0.000 1.051 147 V CA 2.401 64.631 62.300 -0.118 0.000 1.018 147 V CB -0.818 30.960 31.823 -0.074 0.000 0.641 147 V HN 0.550 nan 8.190 nan 0.000 0.445 148 R N -0.190 120.357 120.500 0.079 0.000 2.081 148 R HA -0.169 4.171 4.340 0.001 0.000 0.235 148 R C 2.068 178.429 176.300 0.102 0.000 1.131 148 R CA 1.757 57.931 56.100 0.124 0.000 0.960 148 R CB -0.559 29.879 30.300 0.230 0.000 0.856 148 R HN 0.533 nan 8.270 nan 0.000 0.436 149 D N 0.268 120.706 120.400 0.063 0.000 2.117 149 D HA -0.173 4.467 4.640 0.001 0.000 0.197 149 D C 1.581 177.883 176.300 0.004 0.000 0.987 149 D CA 1.026 55.069 54.000 0.072 0.000 0.829 149 D CB -0.283 40.552 40.800 0.058 0.000 0.961 149 D HN 0.081 nan 8.370 nan 0.000 0.460 150 F N 0.295 120.060 119.950 -0.307 0.000 2.134 150 F HA -0.117 4.410 4.527 0.000 0.000 0.299 150 F C 2.089 177.734 175.800 -0.258 0.000 1.097 150 F CA 1.117 58.810 58.000 -0.511 0.000 1.264 150 F CB -0.440 38.091 39.000 -0.782 0.000 1.001 150 F HN -0.126 nan 8.300 nan 0.000 0.479 151 F N -0.732 119.137 119.950 -0.135 0.000 2.095 151 F HA -0.291 4.236 4.527 0.001 0.000 0.298 151 F C 2.899 178.722 175.800 0.038 0.000 1.104 151 F CA 1.856 59.750 58.000 -0.177 0.000 1.232 151 F CB -0.814 37.807 39.000 -0.631 0.000 0.987 151 F HN 0.100 nan 8.300 nan 0.000 0.475 152 H N 0.582 119.754 119.070 0.170 0.000 2.387 152 H HA -0.141 4.415 4.556 0.000 0.000 0.299 152 H C 1.833 177.207 175.328 0.077 0.000 1.090 152 H CA 1.847 57.995 56.048 0.167 0.000 1.332 152 H CB -0.037 29.811 29.762 0.143 0.000 1.386 152 H HN 0.363 nan 8.280 nan 0.000 0.516 153 E N 0.091 120.226 120.200 -0.108 0.000 2.204 153 E HA -0.130 4.220 4.350 0.001 0.000 0.195 153 E C 0.856 177.334 176.600 -0.204 0.000 0.990 153 E CA 0.958 57.236 56.400 -0.204 0.000 0.821 153 E CB 0.050 29.615 29.700 -0.225 0.000 0.750 153 E HN 0.520 nan 8.360 nan 0.000 0.477 154 N N -0.771 117.848 118.700 -0.135 0.000 2.279 154 N HA 0.139 4.879 4.740 0.001 0.000 0.226 154 N C 0.192 175.819 175.510 0.195 0.000 1.126 154 N CA 0.471 53.548 53.050 0.045 0.000 0.846 154 N CB 1.459 40.038 38.487 0.154 0.000 1.050 154 N HN 0.163 nan 8.380 nan 0.000 0.502 155 G N -0.065 108.774 108.800 0.065 0.000 2.143 155 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 155 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 155 G C -0.289 174.609 174.900 -0.004 0.000 0.991 155 G CA -0.280 44.813 45.100 -0.011 0.000 0.689 155 G HN 0.240 nan 8.290 nan 0.000 0.522 156 F N 0.159 120.156 119.950 0.078 0.000 2.396 156 F HA 0.654 5.181 4.527 0.000 0.000 0.343 156 F C 1.064 176.998 175.800 0.222 0.000 1.104 156 F CA -0.934 57.157 58.000 0.152 0.000 1.161 156 F CB 0.983 40.140 39.000 0.262 0.000 1.146 156 F HN -0.019 nan 8.300 nan 0.000 0.522 157 I N 2.363 123.069 120.570 0.227 0.000 2.359 157 I HA 0.202 4.372 4.170 0.001 0.000 0.294 157 I C 0.062 176.156 176.117 -0.039 0.000 0.987 157 I CA -0.732 60.646 61.300 0.130 0.000 1.225 157 I CB 1.499 39.512 38.000 0.021 0.000 1.366 157 I HN 0.564 nan 8.210 nan 0.000 0.466 158 E N 7.077 127.153 120.200 -0.206 0.000 2.338 158 E HA 0.401 4.751 4.350 0.001 0.000 0.272 158 E C -0.943 175.342 176.600 -0.525 0.000 1.029 158 E CA -0.380 55.573 56.400 -0.744 0.000 0.872 158 E CB 1.005 30.295 29.700 -0.684 0.000 1.015 158 E HN 0.543 nan 8.360 nan 0.000 0.417 159 I N 0.803 120.960 120.570 -0.688 0.000 3.002 159 I HA 0.558 4.729 4.170 0.001 0.000 0.310 159 I C -1.320 174.283 176.117 -0.857 0.000 1.087 159 I CA -1.118 59.866 61.300 -0.527 0.000 1.017 159 I CB 2.051 39.891 38.000 -0.266 0.000 1.226 159 I HN 0.481 nan 8.210 nan 0.000 0.443 160 H N 0.948 119.940 119.070 -0.130 0.000 2.840 160 H HA 0.585 5.141 4.556 0.001 0.000 0.340 160 H C -0.778 174.463 175.328 -0.145 0.000 1.004 160 H CA -0.553 55.425 56.048 -0.116 0.000 1.288 160 H CB 1.903 31.613 29.762 -0.086 0.000 1.607 160 H HN 0.828 nan 8.280 nan 0.000 0.522 161 T N 0.506 114.994 114.554 -0.109 0.000 2.908 161 T HA 0.501 4.852 4.350 0.001 0.000 0.290 161 T C -2.790 171.733 174.700 -0.295 0.000 1.034 161 T CA -2.520 59.410 62.100 -0.284 0.000 1.010 161 T CB 1.921 70.596 68.868 -0.321 0.000 1.068 161 T HN 0.252 nan 8.240 nan 0.000 0.481 162 P HA 0.144 nan 4.420 nan 0.000 0.264 162 P C -0.038 177.198 177.300 -0.107 0.000 1.183 162 P CA -0.238 62.691 63.100 -0.285 0.000 0.763 162 P CB 0.647 32.134 31.700 -0.355 0.000 0.807 163 K N 1.854 122.244 120.400 -0.016 0.000 2.354 163 K HA 0.285 4.605 4.320 0.001 0.000 0.194 163 K C 0.776 177.423 176.600 0.078 0.000 1.038 163 K CA 0.103 56.445 56.287 0.092 0.000 1.052 163 K CB 0.384 32.980 32.500 0.160 0.000 0.861 163 K HN 0.498 nan 8.250 nan 0.000 0.535 164 I N 2.750 123.325 120.570 0.008 0.000 2.330 164 I HA 0.264 4.435 4.170 0.001 0.000 0.289 164 I C -0.538 175.559 176.117 -0.033 0.000 1.001 164 I CA -1.150 60.136 61.300 -0.023 0.000 1.193 164 I CB 0.872 38.827 38.000 -0.075 0.000 1.345 164 I HN -0.112 nan 8.210 nan 0.000 0.461 165 I N 3.123 123.722 120.570 0.049 0.000 2.934 165 I HA 0.731 4.902 4.170 0.001 0.000 0.306 165 I C 0.494 176.676 176.117 0.109 0.000 1.110 165 I CA -0.492 60.862 61.300 0.090 0.000 1.019 165 I CB 1.795 39.911 38.000 0.195 0.000 1.227 165 I HN 0.427 nan 8.210 nan 0.000 0.434 166 A N 1.426 124.296 122.820 0.083 0.000 1.956 166 A HA 0.303 4.623 4.320 0.001 0.000 0.212 166 A C 1.013 178.735 177.584 0.230 0.000 1.188 166 A CA 0.910 53.005 52.037 0.097 0.000 0.675 166 A CB -0.487 18.534 19.000 0.034 0.000 0.845 166 A HN 0.751 nan 8.150 nan 0.000 0.455 167 T N 1.505 116.135 114.554 0.127 0.000 2.749 167 T HA 0.547 4.897 4.350 0.001 0.000 0.287 167 T C 0.096 174.790 174.700 -0.010 0.000 0.970 167 T CA 0.098 62.197 62.100 -0.001 0.000 0.980 167 T CB 1.284 70.020 68.868 -0.219 0.000 0.924 167 T HN 0.506 nan 8.240 nan 0.000 0.456 168 A N 3.281 126.010 122.820 -0.151 0.000 2.526 168 A HA 0.228 4.549 4.320 0.001 0.000 0.267 168 A C 1.748 179.307 177.584 -0.041 0.000 1.095 168 A CA -0.016 51.869 52.037 -0.252 0.000 0.775 168 A CB -0.417 18.320 19.000 -0.437 0.000 1.036 168 A HN 0.989 nan 8.150 nan 0.000 0.510 169 T N -0.310 114.242 114.554 -0.004 0.000 3.007 169 T HA -0.025 4.326 4.350 0.001 0.000 0.270 169 T C 0.805 175.531 174.700 0.043 0.000 1.107 169 T CA 1.652 63.768 62.100 0.027 0.000 1.118 169 T CB 0.061 68.940 68.868 0.018 0.000 0.889 169 T HN 0.630 nan 8.240 nan 0.000 0.506 170 E N -0.084 120.135 120.200 0.032 0.000 2.603 170 E HA 0.398 4.748 4.350 0.001 0.000 0.224 170 E C 1.026 177.642 176.600 0.026 0.000 0.896 170 E CA 0.587 57.010 56.400 0.039 0.000 1.224 170 E CB 1.504 31.211 29.700 0.011 0.000 1.206 170 E HN 0.611 nan 8.360 nan 0.000 0.576 171 G N 0.108 108.907 108.800 -0.002 0.000 2.288 171 G HA2 0.192 4.152 3.960 0.001 0.000 0.227 171 G HA3 0.192 4.152 3.960 0.001 0.000 0.227 171 G C -0.458 174.390 174.900 -0.087 0.000 1.339 171 G CA -0.418 44.674 45.100 -0.013 0.000 1.057 171 G HN 0.237 nan 8.290 nan 0.000 0.470 172 G N -0.272 108.489 108.800 -0.066 0.000 2.410 172 G HA2 0.833 4.793 3.960 0.001 0.000 0.330 172 G HA3 0.833 4.793 3.960 0.001 0.000 0.330 172 G C 0.611 175.460 174.900 -0.084 0.000 1.142 172 G CA 1.287 46.339 45.100 -0.080 0.000 0.902 172 G HN 2.604 nan 8.290 nan 0.000 0.491 173 T N -1.450 113.051 114.554 -0.088 0.000 0.541 173 T HA -0.258 4.093 4.350 0.001 0.000 0.774 173 T C 0.335 174.960 174.700 -0.125 0.000 0.992 173 T CA 1.019 63.064 62.100 -0.091 0.000 4.077 173 T CB -1.005 67.824 68.868 -0.066 0.000 2.303 173 T HN 1.631 nan 8.240 nan 0.000 0.398 174 E N -1.046 119.060 120.200 -0.156 0.000 2.360 174 E HA -0.186 4.165 4.350 0.001 0.000 0.238 174 E C -0.545 175.920 176.600 -0.226 0.000 1.186 174 E CA 0.799 57.078 56.400 -0.202 0.000 0.719 174 E CB -1.231 28.383 29.700 -0.144 0.000 1.236 174 E HN 0.692 nan 8.360 nan 0.000 0.386 175 L N -0.078 120.989 121.223 -0.260 0.000 2.401 175 L HA 0.537 4.877 4.340 0.001 0.000 0.266 175 L C -1.120 175.643 176.870 -0.179 0.000 0.991 175 L CA -0.563 54.172 54.840 -0.174 0.000 0.818 175 L CB 1.441 43.394 42.059 -0.177 0.000 1.321 175 L HN 0.047 nan 8.230 nan 0.000 0.413 176 F N 5.367 125.409 119.950 0.153 0.000 2.313 176 F HA 0.457 4.985 4.527 0.001 0.000 0.369 176 F C -1.894 174.032 175.800 0.211 0.000 1.109 176 F CA -1.731 56.353 58.000 0.140 0.000 1.132 176 F CB 1.038 40.081 39.000 0.073 0.000 1.291 176 F HN 0.341 nan 8.300 nan 0.000 0.496 177 P HA 0.184 nan 4.420 nan 0.000 0.276 177 P C -0.601 176.728 177.300 0.049 0.000 1.235 177 P CA -0.118 63.091 63.100 0.181 0.000 0.772 177 P CB 0.916 32.696 31.700 0.134 0.000 0.871 178 M N 2.495 122.046 119.600 -0.082 0.000 2.484 178 M HA 0.431 4.911 4.480 0.001 0.000 0.289 178 M C -1.094 175.141 176.300 -0.108 0.000 1.206 178 M CA -1.140 54.116 55.300 -0.073 0.000 0.892 178 M CB 2.345 34.913 32.600 -0.054 0.000 1.712 178 M HN -0.044 nan 8.290 nan 0.000 0.462 179 K N 2.394 122.742 120.400 -0.087 0.000 2.258 179 K HA 0.204 4.525 4.320 0.001 0.000 0.284 179 K C -1.795 174.772 176.600 -0.055 0.000 1.051 179 K CA 0.129 56.370 56.287 -0.076 0.000 0.923 179 K CB 0.419 32.865 32.500 -0.089 0.000 1.046 179 K HN 0.531 nan 8.250 nan 0.000 0.474 180 Y N 7.150 127.375 120.300 -0.124 0.000 2.919 180 Y HA 0.233 4.783 4.550 0.001 0.000 0.341 180 Y C -0.276 175.652 175.900 0.047 0.000 1.045 180 Y CA -0.525 57.513 58.100 -0.104 0.000 1.218 180 Y CB -0.459 37.997 38.460 -0.007 0.000 1.137 180 Y HN 0.826 nan 8.280 nan 0.000 0.577 181 F N 0.518 120.316 119.950 -0.254 0.000 2.208 181 F HA -0.504 4.023 4.527 0.001 0.000 0.342 181 F C 1.604 177.356 175.800 -0.080 0.000 1.315 181 F CA 1.809 59.691 58.000 -0.195 0.000 1.018 181 F CB -0.696 38.154 39.000 -0.252 0.000 3.928 181 F HN 0.316 nan 8.300 nan 0.000 0.148 182 E N 0.222 120.540 120.200 0.198 0.000 2.170 182 E HA 0.009 4.360 4.350 0.001 0.000 0.191 182 E C 0.333 176.983 176.600 0.084 0.000 0.981 182 E CA 0.958 57.417 56.400 0.100 0.000 0.830 182 E CB -0.070 29.675 29.700 0.075 0.000 0.775 182 E HN 0.220 nan 8.360 nan 0.000 0.470 183 E N 1.530 121.811 120.200 0.136 0.000 2.390 183 E HA 0.081 4.432 4.350 0.001 0.000 0.261 183 E C -0.419 176.205 176.600 0.040 0.000 1.076 183 E CA 0.019 56.480 56.400 0.102 0.000 0.905 183 E CB 0.389 30.182 29.700 0.156 0.000 0.984 183 E HN 0.041 nan 8.360 nan 0.000 0.427 184 D N 0.204 120.582 120.400 -0.038 0.000 2.210 184 D HA 0.533 5.174 4.640 0.001 0.000 0.249 184 D C -0.370 175.775 176.300 -0.259 0.000 1.078 184 D CA -0.170 53.735 54.000 -0.158 0.000 0.875 184 D CB 1.635 42.328 40.800 -0.180 0.000 1.175 184 D HN 0.423 nan 8.370 nan 0.000 0.440 185 A N 1.607 124.190 122.820 -0.396 0.000 2.524 185 A HA 0.858 5.179 4.320 0.001 0.000 0.289 185 A C -1.556 175.610 177.584 -0.696 0.000 1.248 185 A CA -0.665 51.120 52.037 -0.421 0.000 0.712 185 A CB 1.209 20.128 19.000 -0.135 0.000 1.312 185 A HN 0.429 nan 8.150 nan 0.000 0.441 186 F N -1.145 118.821 119.950 0.027 0.000 2.662 186 F HA 0.568 5.095 4.527 0.001 0.000 0.312 186 F C -0.349 175.483 175.800 0.052 0.000 1.113 186 F CA -0.643 57.388 58.000 0.053 0.000 0.951 186 F CB 1.682 40.718 39.000 0.060 0.000 1.344 186 F HN 0.418 nan 8.300 nan 0.000 0.462 187 L N 2.062 123.462 121.223 0.295 0.000 2.350 187 L HA 0.606 4.946 4.340 0.001 0.000 0.275 187 L C 0.278 177.339 176.870 0.317 0.000 1.099 187 L CA -0.913 54.037 54.840 0.184 0.000 0.808 187 L CB 1.195 43.255 42.059 0.003 0.000 1.149 187 L HN 0.785 nan 8.230 nan 0.000 0.442 188 A N 2.733 125.743 122.820 0.317 0.000 2.440 188 A HA 0.175 4.495 4.320 0.001 0.000 0.251 188 A C 0.646 178.384 177.584 0.256 0.000 1.089 188 A CA -0.109 52.085 52.037 0.262 0.000 0.779 188 A CB 0.380 19.509 19.000 0.215 0.000 1.022 188 A HN 0.907 nan 8.150 nan 0.000 0.492 189 Q N 0.687 120.579 119.800 0.154 0.000 2.402 189 Q HA 0.211 4.551 4.340 0.001 0.000 0.206 189 Q C 0.319 176.345 176.000 0.043 0.000 0.919 189 Q CA 0.796 56.658 55.803 0.098 0.000 0.923 189 Q CB 0.461 29.232 28.738 0.055 0.000 1.048 189 Q HN 0.720 nan 8.270 nan 0.000 0.515 190 S N -0.770 114.959 115.700 0.049 0.000 2.586 190 S HA 0.272 4.742 4.470 0.001 0.000 0.277 190 S C -2.765 171.864 174.600 0.048 0.000 1.131 190 S CA -1.090 57.123 58.200 0.021 0.000 0.848 190 S CB 1.101 64.297 63.200 -0.007 0.000 1.091 190 S HN -0.219 nan 8.310 nan 0.000 0.453 191 P HA 0.210 nan 4.420 nan 0.000 0.257 191 P C 1.060 178.391 177.300 0.052 0.000 1.325 191 P CA -0.049 63.118 63.100 0.112 0.000 0.850 191 P CB 0.287 32.016 31.700 0.049 0.000 1.324 192 Q N 1.210 120.969 119.800 -0.068 0.000 2.065 192 Q HA -0.215 4.125 4.340 0.001 0.000 0.213 192 Q C 1.810 177.693 176.000 -0.194 0.000 1.012 192 Q CA 2.066 57.741 55.803 -0.214 0.000 0.876 192 Q CB -1.319 27.171 28.738 -0.413 0.000 0.954 192 Q HN 0.211 nan 8.270 nan 0.000 0.413 193 L N -1.227 119.848 121.223 -0.247 0.000 2.083 193 L HA -0.190 4.150 4.340 0.001 0.000 0.209 193 L C 2.284 179.099 176.870 -0.093 0.000 1.083 193 L CA 1.425 56.117 54.840 -0.246 0.000 0.752 193 L CB -0.635 41.159 42.059 -0.441 0.000 0.899 193 L HN 0.331 nan 8.230 nan 0.000 0.433 194 Y N 0.876 121.212 120.300 0.060 0.000 2.220 194 Y HA -0.210 4.340 4.550 0.001 0.000 0.291 194 Y C 2.730 178.631 175.900 0.002 0.000 1.129 194 Y CA 1.267 59.393 58.100 0.044 0.000 1.161 194 Y CB -0.276 38.186 38.460 0.003 0.000 0.997 194 Y HN 0.187 nan 8.280 nan 0.000 0.522 195 K N 0.343 120.807 120.400 0.105 0.000 2.147 195 K HA -0.194 4.127 4.320 0.001 0.000 0.205 195 K C 1.692 178.267 176.600 -0.042 0.000 1.049 195 K CA 1.664 57.955 56.287 0.007 0.000 0.936 195 K CB -0.377 32.104 32.500 -0.032 0.000 0.722 195 K HN 0.401 nan 8.250 nan 0.000 0.446 196 Q N 0.867 120.672 119.800 0.009 0.000 2.083 196 Q HA -0.006 4.334 4.340 0.001 0.000 0.198 196 Q C 2.255 178.138 176.000 -0.195 0.000 0.969 196 Q CA 1.266 57.041 55.803 -0.048 0.000 0.838 196 Q CB -0.154 28.781 28.738 0.329 0.000 0.900 196 Q HN 0.358 nan 8.270 nan 0.000 0.436 197 I N 0.624 121.187 120.570 -0.011 0.000 2.264 197 I HA -0.291 3.880 4.170 0.001 0.000 0.248 197 I C 1.986 178.036 176.117 -0.112 0.000 1.111 197 I CA 0.861 62.133 61.300 -0.047 0.000 1.382 197 I CB -0.105 37.969 38.000 0.123 0.000 1.060 197 I HN 0.291 nan 8.210 nan 0.000 0.418 198 M N -0.715 118.835 119.600 -0.082 0.000 2.557 198 M HA -0.089 4.392 4.480 0.001 0.000 0.259 198 M C 1.978 178.175 176.300 -0.172 0.000 1.086 198 M CA 1.149 56.391 55.300 -0.097 0.000 1.096 198 M CB -0.793 31.769 32.600 -0.064 0.000 1.424 198 M HN 0.248 nan 8.290 nan 0.000 0.488 199 M N -0.657 118.766 119.600 -0.296 0.000 2.476 199 M HA 0.028 4.508 4.480 0.001 0.000 0.262 199 M C 1.741 177.851 176.300 -0.317 0.000 1.079 199 M CA 0.807 55.880 55.300 -0.379 0.000 1.104 199 M CB -1.151 31.004 32.600 -0.742 0.000 1.409 199 M HN 0.249 nan 8.290 nan 0.000 0.467 200 A N -0.397 122.252 122.820 -0.285 0.000 2.308 200 A HA 0.101 4.421 4.320 0.001 0.000 0.217 200 A C 2.053 179.580 177.584 -0.095 0.000 1.216 200 A CA 0.866 52.786 52.037 -0.195 0.000 0.864 200 A CB -0.388 18.483 19.000 -0.214 0.000 0.902 200 A HN 0.503 nan 8.150 nan 0.000 0.499 201 S N -2.319 113.329 115.700 -0.088 0.000 2.503 201 S HA 0.388 4.859 4.470 0.001 0.000 0.217 201 S C 1.487 176.070 174.600 -0.028 0.000 0.999 201 S CA 1.174 59.346 58.200 -0.047 0.000 0.914 201 S CB 0.062 63.235 63.200 -0.045 0.000 0.782 201 S HN 1.681 nan 8.310 nan 0.000 0.520 202 G N 1.086 109.872 108.800 -0.023 0.000 2.213 202 G HA2 -0.224 3.736 3.960 0.001 0.000 0.226 202 G HA3 -0.224 3.736 3.960 0.001 0.000 0.226 202 G C 0.670 175.560 174.900 -0.016 0.000 0.992 202 G CA 0.210 45.316 45.100 0.009 0.000 0.632 202 G HN 0.439 nan 8.290 nan 0.000 0.511 203 L N -0.232 120.963 121.223 -0.046 0.000 2.079 203 L HA -0.042 4.299 4.340 0.001 0.000 0.210 203 L C 2.162 178.974 176.870 -0.096 0.000 1.081 203 L CA 2.142 56.940 54.840 -0.069 0.000 0.752 203 L CB -0.373 41.638 42.059 -0.079 0.000 0.896 203 L HN 0.388 nan 8.230 nan 0.000 0.433 204 D N -1.030 119.321 120.400 -0.083 0.000 3.737 204 D HA -0.255 4.385 4.640 0.001 0.000 0.202 204 D C 0.473 176.647 176.300 -0.210 0.000 1.425 204 D CA 1.907 55.859 54.000 -0.080 0.000 2.310 204 D CB -0.469 40.315 40.800 -0.026 0.000 1.268 204 D HN 0.349 nan 8.370 nan 0.000 0.410 205 R N 0.215 120.503 120.500 -0.352 0.000 2.412 205 R HA 0.586 4.926 4.340 0.001 0.000 0.304 205 R C -0.408 175.658 176.300 -0.391 0.000 1.066 205 R CA -0.548 55.105 56.100 -0.745 0.000 0.923 205 R CB 2.534 31.982 30.300 -1.420 0.000 1.156 205 R HN 0.135 nan 8.270 nan 0.000 0.513 206 V N -0.033 119.843 119.914 -0.063 0.000 3.074 206 V HA 0.824 4.944 4.120 0.001 0.000 0.314 206 V C -1.097 175.081 176.094 0.140 0.000 1.117 206 V CA -1.083 61.244 62.300 0.045 0.000 1.014 206 V CB 1.761 33.535 31.823 -0.081 0.000 1.057 206 V HN 0.727 nan 8.190 nan 0.000 0.438 207 Y N -0.482 119.683 120.300 -0.226 0.000 2.581 207 Y HA 0.869 5.419 4.550 0.001 0.000 0.337 207 Y C -1.037 174.658 175.900 -0.342 0.000 1.108 207 Y CA -0.833 56.974 58.100 -0.489 0.000 1.033 207 Y CB 1.838 39.498 38.460 -1.334 0.000 1.318 207 Y HN 0.976 nan 8.280 nan 0.000 0.459 208 E N 3.811 123.884 120.200 -0.213 0.000 2.290 208 E HA 0.591 4.941 4.350 0.001 0.000 0.274 208 E C -2.051 174.577 176.600 0.046 0.000 0.889 208 E CA -0.796 55.475 56.400 -0.214 0.000 0.760 208 E CB 1.863 31.445 29.700 -0.197 0.000 1.206 208 E HN 0.806 nan 8.360 nan 0.000 0.419 209 I N 3.688 124.346 120.570 0.146 0.000 2.420 209 I HA 0.694 4.864 4.170 0.001 0.000 0.282 209 I C -0.444 175.885 176.117 0.354 0.000 1.019 209 I CA -0.390 61.118 61.300 0.347 0.000 1.130 209 I CB 1.382 39.694 38.000 0.520 0.000 1.262 209 I HN 0.596 nan 8.210 nan 0.000 0.454 210 A N 8.266 131.167 122.820 0.134 0.000 2.599 210 A HA 0.854 5.175 4.320 0.001 0.000 0.290 210 A C -2.983 174.180 177.584 -0.701 0.000 1.101 210 A CA -1.228 50.626 52.037 -0.305 0.000 0.674 210 A CB 1.781 20.683 19.000 -0.163 0.000 1.277 210 A HN 0.341 nan 8.150 nan 0.000 0.419 211 P HA 0.529 nan 4.420 nan 0.000 0.274 211 P C -0.765 176.031 177.300 -0.839 0.000 1.231 211 P CA 0.206 62.613 63.100 -1.155 0.000 0.790 211 P CB 0.608 31.654 31.700 -1.091 0.000 0.951 212 I N -1.646 118.386 120.570 -0.896 0.000 2.828 212 I HA 0.663 4.833 4.170 0.001 0.000 0.302 212 I C -1.208 174.391 176.117 -0.865 0.000 1.101 212 I CA -1.417 59.501 61.300 -0.637 0.000 1.031 212 I CB 2.113 39.979 38.000 -0.223 0.000 1.231 212 I HN 0.030 nan 8.210 nan 0.000 0.427 213 F N 2.123 122.129 119.950 0.094 0.000 2.539 213 F HA 0.702 5.230 4.527 0.001 0.000 0.318 213 F C -0.212 175.765 175.800 0.295 0.000 1.135 213 F CA -0.531 57.602 58.000 0.222 0.000 0.915 213 F CB 2.103 41.230 39.000 0.212 0.000 1.176 213 F HN 0.328 nan 8.300 nan 0.000 0.440 214 R N 1.606 122.364 120.500 0.431 0.000 2.533 214 R HA 0.696 5.036 4.340 0.001 0.000 0.288 214 R C -0.986 175.300 176.300 -0.023 0.000 1.039 214 R CA -1.074 55.104 56.100 0.131 0.000 0.909 214 R CB 2.197 32.518 30.300 0.036 0.000 1.195 214 R HN 0.726 nan 8.270 nan 0.000 0.438 215 A N 3.771 126.296 122.820 -0.491 0.000 3.015 215 A HA 0.118 4.438 4.320 0.001 0.000 0.293 215 A C 0.229 177.650 177.584 -0.272 0.000 1.572 215 A CA -0.536 51.118 52.037 -0.639 0.000 1.274 215 A CB -0.168 18.091 19.000 -1.234 0.000 1.156 215 A HN 0.654 nan 8.150 nan 0.000 0.562 216 E N 1.375 121.495 120.200 -0.134 0.000 2.354 216 E HA 0.134 4.485 4.350 0.001 0.000 0.269 216 E C -0.453 176.113 176.600 -0.057 0.000 1.036 216 E CA -0.552 55.784 56.400 -0.106 0.000 0.876 216 E CB 1.178 30.771 29.700 -0.178 0.000 1.009 216 E HN 0.446 nan 8.360 nan 0.000 0.416 217 E N 1.524 121.664 120.200 -0.099 0.000 2.274 217 E HA -0.043 4.307 4.350 0.001 0.000 0.194 217 E C -0.119 176.252 176.600 -0.382 0.000 0.996 217 E CA 0.913 57.166 56.400 -0.244 0.000 0.840 217 E CB -0.032 29.463 29.700 -0.343 0.000 0.772 217 E HN 0.519 nan 8.360 nan 0.000 0.491 218 H N -0.237 118.897 119.070 0.107 0.000 2.572 218 H HA 0.281 4.837 4.556 0.001 0.000 0.359 218 H C -0.132 175.304 175.328 0.179 0.000 1.134 218 H CA -0.835 55.286 56.048 0.121 0.000 1.187 218 H CB 0.966 30.785 29.762 0.095 0.000 1.597 218 H HN -0.169 nan 8.280 nan 0.000 0.524 219 N N 1.626 120.454 118.700 0.213 0.000 2.520 219 N HA 0.165 4.906 4.740 0.001 0.000 0.273 219 N C -0.120 175.378 175.510 -0.021 0.000 1.155 219 N CA 0.096 53.200 53.050 0.091 0.000 0.967 219 N CB 1.211 39.738 38.487 0.068 0.000 1.092 219 N HN 0.780 nan 8.380 nan 0.000 0.457 220 T N -3.460 110.950 114.554 -0.241 0.000 2.841 220 T HA 0.332 4.682 4.350 0.001 0.000 0.296 220 T C 0.919 175.472 174.700 -0.246 0.000 1.166 220 T CA -0.720 61.215 62.100 -0.276 0.000 1.007 220 T CB 1.092 69.714 68.868 -0.410 0.000 1.253 220 T HN 0.382 nan 8.240 nan 0.000 0.511 221 T N -1.628 112.836 114.554 -0.151 0.000 3.129 221 T HA 0.206 4.557 4.350 0.001 0.000 0.251 221 T C 1.213 175.860 174.700 -0.088 0.000 1.117 221 T CA -0.092 61.950 62.100 -0.096 0.000 1.034 221 T CB -0.273 68.559 68.868 -0.060 0.000 0.968 221 T HN 0.665 nan 8.240 nan 0.000 0.526 222 R N 0.880 121.306 120.500 -0.123 0.000 2.437 222 R HA 0.267 4.608 4.340 0.001 0.000 0.257 222 R C 0.422 176.756 176.300 0.056 0.000 0.927 222 R CA -0.170 55.911 56.100 -0.031 0.000 1.078 222 R CB 0.264 30.572 30.300 0.013 0.000 1.161 222 R HN 0.736 nan 8.270 nan 0.000 0.529 223 H N -1.553 117.549 119.070 0.052 0.000 3.037 223 H HA 0.498 5.054 4.556 0.001 0.000 0.355 223 H C -1.383 173.994 175.328 0.083 0.000 1.263 223 H CA -0.991 55.097 56.048 0.066 0.000 1.129 223 H CB 1.453 31.253 29.762 0.064 0.000 1.861 223 H HN -0.138 nan 8.280 nan 0.000 0.546 224 L N 0.971 122.392 121.223 0.330 0.000 2.359 224 L HA 0.261 4.602 4.340 0.001 0.000 0.256 224 L C 0.565 177.587 176.870 0.254 0.000 1.026 224 L CA -1.104 53.898 54.840 0.269 0.000 0.828 224 L CB 2.228 44.407 42.059 0.200 0.000 1.406 224 L HN 0.595 nan 8.230 nan 0.000 0.413 225 N N 0.293 119.154 118.700 0.269 0.000 2.459 225 N HA -0.057 4.684 4.740 0.001 0.000 0.181 225 N C -0.135 175.578 175.510 0.338 0.000 1.046 225 N CA 0.693 53.947 53.050 0.340 0.000 0.904 225 N CB 0.325 39.078 38.487 0.444 0.000 0.964 225 N HN 0.532 nan 8.380 nan 0.000 0.444 226 E N -0.152 120.186 120.200 0.231 0.000 2.246 226 E HA 0.631 4.982 4.350 0.001 0.000 0.266 226 E C -1.594 175.058 176.600 0.087 0.000 0.880 226 E CA -0.694 55.782 56.400 0.126 0.000 0.762 226 E CB 1.730 31.554 29.700 0.206 0.000 1.180 226 E HN 0.071 nan 8.360 nan 0.000 0.416 227 A N 3.664 126.452 122.820 -0.053 0.000 2.593 227 A HA 0.639 4.959 4.320 0.001 0.000 0.290 227 A C -2.143 175.432 177.584 -0.015 0.000 1.126 227 A CA -0.796 51.291 52.037 0.083 0.000 0.695 227 A CB 0.893 19.950 19.000 0.096 0.000 1.290 227 A HN 0.620 nan 8.150 nan 0.000 0.414 228 W N 0.794 122.137 121.300 0.070 0.000 2.376 228 W HA 0.637 5.297 4.660 0.001 0.000 0.312 228 W C 0.519 177.101 176.519 0.105 0.000 1.060 228 W CA 0.100 57.517 57.345 0.121 0.000 1.221 228 W CB 2.093 31.729 29.460 0.293 0.000 1.281 228 W HN 0.650 nan 8.180 nan 0.000 0.456 229 S N 4.220 120.022 115.700 0.170 0.000 2.475 229 S HA 0.648 5.118 4.470 0.001 0.000 0.298 229 S C -0.689 174.027 174.600 0.193 0.000 1.119 229 S CA -0.567 57.722 58.200 0.150 0.000 1.085 229 S CB 0.360 63.597 63.200 0.062 0.000 1.028 229 S HN 0.351 nan 8.310 nan 0.000 0.489 230 I N 4.251 124.950 120.570 0.215 0.000 2.307 230 I HA 0.314 4.485 4.170 0.001 0.000 0.287 230 I C -0.636 175.647 176.117 0.277 0.000 1.054 230 I CA -0.377 61.088 61.300 0.274 0.000 1.218 230 I CB 0.940 39.116 38.000 0.293 0.000 1.398 230 I HN 0.591 nan 8.210 nan 0.000 0.475 231 D N 3.820 124.302 120.400 0.136 0.000 2.181 231 D HA 0.622 5.263 4.640 0.001 0.000 0.248 231 D C -0.532 175.662 176.300 -0.177 0.000 1.020 231 D CA -0.134 53.851 54.000 -0.025 0.000 0.891 231 D CB 1.796 42.576 40.800 -0.034 0.000 1.187 231 D HN 0.325 nan 8.370 nan 0.000 0.443 232 S N 0.780 116.224 115.700 -0.426 0.000 2.550 232 S HA 0.587 5.058 4.470 0.001 0.000 0.270 232 S C -1.897 172.546 174.600 -0.261 0.000 1.145 232 S CA -0.666 57.311 58.200 -0.373 0.000 0.852 232 S CB 1.571 64.492 63.200 -0.465 0.000 1.119 232 S HN 0.383 nan 8.310 nan 0.000 0.465 233 E N 2.071 122.248 120.200 -0.038 0.000 2.321 233 E HA 0.632 4.983 4.350 0.001 0.000 0.278 233 E C -1.259 175.378 176.600 0.061 0.000 0.902 233 E CA -0.468 55.940 56.400 0.013 0.000 0.758 233 E CB 1.564 31.249 29.700 -0.025 0.000 1.213 233 E HN 0.750 nan 8.360 nan 0.000 0.426 234 M N 1.936 121.582 119.600 0.076 0.000 2.386 234 M HA 0.915 5.395 4.480 0.001 0.000 0.293 234 M C -1.013 175.304 176.300 0.029 0.000 1.120 234 M CA -1.149 54.158 55.300 0.011 0.000 0.909 234 M CB 1.980 34.614 32.600 0.056 0.000 1.661 234 M HN 0.454 nan 8.290 nan 0.000 0.452 235 A N 1.702 124.516 122.820 -0.010 0.000 2.269 235 A HA 0.908 5.228 4.320 0.001 0.000 0.327 235 A C -0.259 177.374 177.584 0.081 0.000 1.112 235 A CA -0.506 51.502 52.037 -0.048 0.000 0.865 235 A CB 0.145 19.032 19.000 -0.188 0.000 1.227 235 A HN 1.103 nan 8.150 nan 0.000 0.498 236 F N -2.164 117.757 119.950 -0.048 0.000 3.018 236 F HA -0.202 4.326 4.527 0.001 0.000 0.287 236 F C 0.618 176.394 175.800 -0.039 0.000 0.813 236 F CA 0.728 58.697 58.000 -0.053 0.000 1.209 236 F CB -2.194 36.774 39.000 -0.053 0.000 1.321 236 F HN 0.644 nan 8.300 nan 0.000 0.477 237 I N -2.034 118.562 120.570 0.045 0.000 2.886 237 I HA 0.347 4.518 4.170 0.001 0.000 0.299 237 I C 1.164 177.288 176.117 0.011 0.000 1.044 237 I CA -0.403 60.924 61.300 0.045 0.000 1.310 237 I CB 0.985 39.013 38.000 0.047 0.000 1.441 237 I HN 0.124 nan 8.210 nan 0.000 0.578 238 E N 0.901 121.117 120.200 0.026 0.000 2.413 238 E HA 0.072 4.422 4.350 0.001 0.000 0.203 238 E C -0.697 175.909 176.600 0.011 0.000 0.957 238 E CA 0.112 56.522 56.400 0.017 0.000 0.950 238 E CB 0.410 30.130 29.700 0.033 0.000 0.957 238 E HN 0.855 nan 8.360 nan 0.000 0.497 239 D N -0.491 119.921 120.400 0.021 0.000 2.710 239 D HA -0.094 4.546 4.640 0.001 0.000 0.276 239 D C 0.484 176.815 176.300 0.051 0.000 1.267 239 D CA -0.321 53.692 54.000 0.022 0.000 0.772 239 D CB 0.629 41.449 40.800 0.033 0.000 1.299 239 D HN -0.105 nan 8.370 nan 0.000 0.421 240 E N 0.525 120.773 120.200 0.079 0.000 2.333 240 E HA -0.234 4.117 4.350 0.001 0.000 0.198 240 E C 1.077 177.685 176.600 0.014 0.000 1.007 240 E CA 1.265 57.753 56.400 0.147 0.000 0.845 240 E CB -0.029 29.844 29.700 0.289 0.000 0.766 240 E HN 0.498 nan 8.360 nan 0.000 0.507 241 E N 1.760 121.942 120.200 -0.030 0.000 2.204 241 E HA -0.165 4.186 4.350 0.001 0.000 0.194 241 E C 1.728 178.261 176.600 -0.111 0.000 0.989 241 E CA 1.303 57.616 56.400 -0.146 0.000 0.824 241 E CB -0.055 29.595 29.700 -0.085 0.000 0.756 241 E HN 0.450 nan 8.360 nan 0.000 0.477 242 E N -0.367 119.826 120.200 -0.010 0.000 2.150 242 E HA -0.108 4.242 4.350 0.001 0.000 0.193 242 E C 2.027 178.689 176.600 0.102 0.000 0.985 242 E CA 1.255 57.684 56.400 0.047 0.000 0.814 242 E CB 0.140 29.884 29.700 0.073 0.000 0.752 242 E HN 0.205 nan 8.360 nan 0.000 0.466 243 V N 1.145 121.124 119.914 0.109 0.000 2.407 243 V HA -0.215 3.905 4.120 0.001 0.000 0.245 243 V C 2.269 178.408 176.094 0.075 0.000 1.041 243 V CA 1.398 63.846 62.300 0.247 0.000 1.040 243 V CB -0.355 31.712 31.823 0.408 0.000 0.671 243 V HN 0.244 nan 8.190 nan 0.000 0.455 244 M N 0.015 119.382 119.600 -0.388 0.000 2.159 244 M HA -0.169 4.311 4.480 0.001 0.000 0.263 244 M C 2.486 178.568 176.300 -0.362 0.000 1.063 244 M CA 2.019 56.823 55.300 -0.828 0.000 1.110 244 M CB -0.503 31.215 32.600 -1.471 0.000 1.374 244 M HN 0.408 nan 8.290 nan 0.000 0.411 245 S N 0.143 115.723 115.700 -0.200 0.000 2.368 245 S HA -0.166 4.304 4.470 0.001 0.000 0.225 245 S C 1.755 176.354 174.600 -0.002 0.000 1.030 245 S CA 1.194 59.339 58.200 -0.092 0.000 0.999 245 S CB -0.318 62.865 63.200 -0.029 0.000 0.844 245 S HN 0.497 nan 8.310 nan 0.000 0.459 246 F N 1.543 121.492 119.950 -0.002 0.000 2.146 246 F HA 0.068 4.595 4.527 0.001 0.000 0.298 246 F C 1.826 177.619 175.800 -0.013 0.000 1.096 246 F CA 1.243 59.298 58.000 0.091 0.000 1.275 246 F CB -0.469 38.670 39.000 0.231 0.000 1.008 246 F HN 0.301 nan 8.300 nan 0.000 0.480 247 L N 1.262 122.476 121.223 -0.015 0.000 2.046 247 L HA -0.183 4.157 4.340 0.001 0.000 0.208 247 L C 2.430 179.090 176.870 -0.350 0.000 1.077 247 L CA 2.393 57.029 54.840 -0.341 0.000 0.747 247 L CB -1.155 40.710 42.059 -0.323 0.000 0.896 247 L HN 0.459 nan 8.230 nan 0.000 0.432 248 E N -1.121 118.939 120.200 -0.234 0.000 2.107 248 E HA -0.219 4.132 4.350 0.001 0.000 0.191 248 E C 2.157 178.409 176.600 -0.579 0.000 0.982 248 E CA 0.878 57.005 56.400 -0.454 0.000 0.809 248 E CB -0.467 28.809 29.700 -0.707 0.000 0.756 248 E HN 0.487 nan 8.360 nan 0.000 0.459 249 R N 0.246 120.420 120.500 -0.544 0.000 2.115 249 R HA -0.061 4.280 4.340 0.001 0.000 0.230 249 R C 2.481 178.097 176.300 -1.139 0.000 1.111 249 R CA 1.089 56.820 56.100 -0.614 0.000 0.976 249 R CB -0.390 29.716 30.300 -0.323 0.000 0.870 249 R HN 0.216 nan 8.270 nan 0.000 0.445 250 L N 0.665 121.121 121.223 -1.278 0.000 2.005 250 L HA -0.112 4.229 4.340 0.001 0.000 0.207 250 L C 2.070 178.473 176.870 -0.779 0.000 1.072 250 L CA 1.583 55.567 54.840 -1.427 0.000 0.744 250 L CB -0.397 41.047 42.059 -1.025 0.000 0.895 250 L HN -0.143 nan 8.230 nan 0.000 0.433 251 V N 0.339 119.943 119.914 -0.517 0.000 2.407 251 V HA -0.275 3.846 4.120 0.001 0.000 0.248 251 V C 2.825 178.787 176.094 -0.219 0.000 1.055 251 V CA 1.572 63.696 62.300 -0.293 0.000 1.049 251 V CB -1.336 30.367 31.823 -0.200 0.000 0.662 251 V HN 0.629 nan 8.190 nan 0.000 0.455 252 A N -0.574 122.098 122.820 -0.247 0.000 1.902 252 A HA -0.300 4.021 4.320 0.001 0.000 0.217 252 A C 2.092 179.580 177.584 -0.161 0.000 1.181 252 A CA 2.258 54.203 52.037 -0.154 0.000 0.623 252 A CB -0.853 18.028 19.000 -0.198 0.000 0.818 252 A HN 0.721 nan 8.150 nan 0.000 0.443 253 H N -0.188 118.644 119.070 -0.397 0.000 2.353 253 H HA 0.018 4.574 4.556 0.000 0.000 0.300 253 H C 2.174 177.410 175.328 -0.153 0.000 1.090 253 H CA 1.890 57.757 56.048 -0.302 0.000 1.327 253 H CB -0.149 29.285 29.762 -0.547 0.000 1.383 253 H HN 0.413 nan 8.280 nan 0.000 0.508 254 A N 0.350 123.103 122.820 -0.112 0.000 1.898 254 A HA -0.091 4.229 4.320 0.001 0.000 0.216 254 A C 2.495 180.083 177.584 0.008 0.000 1.181 254 A CA 1.543 53.548 52.037 -0.053 0.000 0.620 254 A CB -0.685 18.265 19.000 -0.084 0.000 0.819 254 A HN 0.504 nan 8.150 nan 0.000 0.442 255 I N -0.205 120.356 120.570 -0.015 0.000 2.252 255 I HA -0.268 3.903 4.170 0.001 0.000 0.245 255 I C 2.175 178.308 176.117 0.027 0.000 1.102 255 I CA 1.598 62.917 61.300 0.031 0.000 1.385 255 I CB -0.471 37.545 38.000 0.027 0.000 1.064 255 I HN 0.415 nan 8.210 nan 0.000 0.414 256 N N -0.383 118.307 118.700 -0.017 0.000 2.244 256 N HA -0.231 4.509 4.740 0.001 0.000 0.183 256 N C 1.859 177.377 175.510 0.013 0.000 1.016 256 N CA 0.791 53.827 53.050 -0.023 0.000 0.866 256 N CB -0.121 38.330 38.487 -0.060 0.000 0.980 256 N HN 0.305 nan 8.380 nan 0.000 0.430 257 Y N 1.231 121.462 120.300 -0.114 0.000 2.242 257 Y HA -0.130 4.420 4.550 0.000 0.000 0.291 257 Y C 2.003 177.953 175.900 0.083 0.000 1.137 257 Y CA 0.986 59.075 58.100 -0.020 0.000 1.181 257 Y CB -0.217 38.167 38.460 -0.127 0.000 0.989 257 Y HN -0.172 nan 8.280 nan 0.000 0.527 258 V N 0.701 120.689 119.914 0.124 0.000 2.358 258 V HA -0.280 3.841 4.120 0.001 0.000 0.246 258 V C 2.302 178.394 176.094 -0.003 0.000 1.047 258 V CA 2.206 64.541 62.300 0.059 0.000 1.035 258 V CB -0.565 31.313 31.823 0.091 0.000 0.658 258 V HN 0.330 nan 8.190 nan 0.000 0.452 259 R N -0.101 120.400 120.500 0.002 0.000 2.092 259 R HA -0.171 4.169 4.340 0.001 0.000 0.231 259 R C 2.360 178.612 176.300 -0.080 0.000 1.119 259 R CA 1.678 57.765 56.100 -0.022 0.000 0.970 259 R CB -0.224 30.068 30.300 -0.013 0.000 0.864 259 R HN 0.608 nan 8.270 nan 0.000 0.440 260 E N -0.399 119.732 120.200 -0.116 0.000 2.170 260 E HA -0.125 4.225 4.350 0.001 0.000 0.191 260 E C 0.845 177.156 176.600 -0.481 0.000 0.981 260 E CA 0.932 57.181 56.400 -0.251 0.000 0.830 260 E CB 0.273 29.843 29.700 -0.216 0.000 0.775 260 E HN 0.469 nan 8.360 nan 0.000 0.470 261 H N -1.195 117.674 119.070 -0.335 0.000 2.874 261 H HA 0.284 4.840 4.556 0.000 0.000 0.264 261 H C 0.143 175.344 175.328 -0.212 0.000 1.007 261 H CA 0.001 55.837 56.048 -0.352 0.000 1.207 261 H CB 0.737 30.080 29.762 -0.699 0.000 1.487 261 H HN -0.004 nan 8.280 nan 0.000 0.505 262 N N 0.498 119.155 118.700 -0.072 0.000 2.433 262 N HA 0.201 4.942 4.740 0.001 0.000 0.270 262 N C 0.899 176.391 175.510 -0.030 0.000 1.354 262 N CA 0.385 53.414 53.050 -0.034 0.000 0.889 262 N CB 1.200 39.683 38.487 -0.007 0.000 1.285 262 N HN 0.222 nan 8.380 nan 0.000 0.503 263 A N 1.484 124.274 122.820 -0.050 0.000 1.908 263 A HA -0.218 4.103 4.320 0.001 0.000 0.218 263 A C 2.221 179.792 177.584 -0.022 0.000 1.181 263 A CA 1.444 53.459 52.037 -0.037 0.000 0.627 263 A CB -0.274 18.692 19.000 -0.056 0.000 0.818 263 A HN 0.283 nan 8.150 nan 0.000 0.445 264 K N -0.532 119.854 120.400 -0.024 0.000 2.057 264 K HA -0.224 4.096 4.320 0.001 0.000 0.207 264 K C 1.797 178.387 176.600 -0.016 0.000 1.049 264 K CA 1.843 58.119 56.287 -0.018 0.000 0.931 264 K CB -0.143 32.348 32.500 -0.016 0.000 0.714 264 K HN 0.398 nan 8.250 nan 0.000 0.440 265 E N 0.629 120.819 120.200 -0.016 0.000 2.106 265 E HA -0.130 4.220 4.350 0.001 0.000 0.192 265 E C 1.816 178.411 176.600 -0.008 0.000 0.984 265 E CA 0.654 57.043 56.400 -0.020 0.000 0.806 265 E CB -0.117 29.569 29.700 -0.023 0.000 0.750 265 E HN 0.150 nan 8.360 nan 0.000 0.458 266 L N 1.041 122.272 121.223 0.013 0.000 2.046 266 L HA -0.165 4.176 4.340 0.001 0.000 0.208 266 L C 1.913 178.817 176.870 0.056 0.000 1.077 266 L CA 1.823 56.699 54.840 0.061 0.000 0.747 266 L CB -1.014 41.093 42.059 0.080 0.000 0.896 266 L HN 0.156 nan 8.230 nan 0.000 0.432 267 D N -0.501 119.911 120.400 0.020 0.000 2.117 267 D HA -0.190 4.451 4.640 0.001 0.000 0.197 267 D C 2.278 178.581 176.300 0.005 0.000 0.987 267 D CA 1.125 55.131 54.000 0.009 0.000 0.829 267 D CB -0.011 40.786 40.800 -0.006 0.000 0.961 267 D HN 0.352 nan 8.370 nan 0.000 0.460 268 I N -0.045 120.522 120.570 -0.006 0.000 2.361 268 I HA -0.207 3.964 4.170 0.001 0.000 0.251 268 I C 1.947 178.057 176.117 -0.012 0.000 1.133 268 I CA 0.685 61.974 61.300 -0.017 0.000 1.413 268 I CB -0.076 37.905 38.000 -0.031 0.000 1.073 268 I HN 0.119 nan 8.210 nan 0.000 0.424 269 L N 0.165 121.389 121.223 0.001 0.000 2.554 269 L HA 0.052 4.392 4.340 0.001 0.000 0.226 269 L C 0.209 177.115 176.870 0.060 0.000 1.137 269 L CA 0.076 54.918 54.840 0.005 0.000 0.863 269 L CB -0.433 41.610 42.059 -0.027 0.000 0.985 269 L HN 0.309 nan 8.230 nan 0.000 0.451 270 N N 0.617 119.354 118.700 0.062 0.000 2.696 270 N HA -0.253 4.487 4.740 0.001 0.000 0.256 270 N C -0.764 174.825 175.510 0.131 0.000 1.031 270 N CA 0.951 54.038 53.050 0.061 0.000 0.730 270 N CB -1.111 37.395 38.487 0.031 0.000 0.894 270 N HN 0.227 nan 8.380 nan 0.000 0.544 271 F N 0.195 120.118 119.950 -0.044 0.000 2.569 271 F HA 0.346 4.874 4.527 0.000 0.000 0.312 271 F C -0.419 175.356 175.800 -0.041 0.000 1.109 271 F CA -0.799 57.173 58.000 -0.046 0.000 0.919 271 F CB 1.392 40.359 39.000 -0.055 0.000 1.211 271 F HN -0.131 nan 8.300 nan 0.000 0.446 272 E N 5.983 125.767 120.200 -0.693 0.000 2.055 272 E HA 0.208 4.558 4.350 0.001 0.000 0.274 272 E C -1.340 174.872 176.600 -0.646 0.000 0.949 272 E CA -0.758 55.353 56.400 -0.482 0.000 0.775 272 E CB 1.816 31.306 29.700 -0.350 0.000 1.097 272 E HN 0.520 nan 8.360 nan 0.000 0.404 273 L N 4.019 125.105 121.223 -0.229 0.000 2.260 273 L HA 0.163 4.503 4.340 0.001 0.000 0.289 273 L C -0.222 176.624 176.870 -0.040 0.000 1.057 273 L CA -0.291 54.539 54.840 -0.017 0.000 0.811 273 L CB 0.463 42.644 42.059 0.202 0.000 1.184 273 L HN 0.245 nan 8.230 nan 0.000 0.429 274 E N 3.075 123.251 120.200 -0.040 0.000 2.398 274 E HA 0.081 4.431 4.350 0.001 0.000 0.263 274 E C -0.368 176.229 176.600 -0.005 0.000 1.046 274 E CA 0.090 56.470 56.400 -0.034 0.000 0.908 274 E CB 0.317 29.998 29.700 -0.032 0.000 0.963 274 E HN 0.537 nan 8.360 nan 0.000 0.431 275 E N 3.751 123.942 120.200 -0.015 0.000 2.290 275 E HA 0.078 4.429 4.350 0.001 0.000 0.277 275 E C -1.983 174.622 176.600 0.008 0.000 1.035 275 E CA -2.172 54.225 56.400 -0.006 0.000 0.873 275 E CB 0.466 30.158 29.700 -0.013 0.000 1.029 275 E HN 0.237 nan 8.360 nan 0.000 0.419 276 P HA 0.059 nan 4.420 nan 0.000 0.268 276 P C -1.208 176.146 177.300 0.090 0.000 1.204 276 P CA -0.073 63.075 63.100 0.079 0.000 0.768 276 P CB 0.625 32.383 31.700 0.098 0.000 0.842 277 K N 3.011 123.502 120.400 0.150 0.000 2.449 277 K HA 0.437 4.757 4.320 0.001 0.000 0.257 277 K C -0.251 176.435 176.600 0.145 0.000 0.989 277 K CA -0.193 56.157 56.287 0.105 0.000 0.916 277 K CB 0.608 33.150 32.500 0.070 0.000 1.136 277 K HN 0.394 nan 8.250 nan 0.000 0.439 278 L N 4.388 125.612 121.223 0.003 0.000 2.343 278 L HA 0.575 4.916 4.340 0.001 0.000 0.275 278 L C -1.493 175.343 176.870 -0.057 0.000 1.056 278 L CA -1.913 52.852 54.840 -0.125 0.000 0.804 278 L CB 0.806 42.717 42.059 -0.247 0.000 1.203 278 L HN 0.510 nan 8.230 nan 0.000 0.440 279 P HA 0.300 nan 4.420 nan 0.000 0.281 279 P C -0.794 176.540 177.300 0.056 0.000 1.249 279 P CA -0.438 62.597 63.100 -0.108 0.000 0.810 279 P CB 0.709 32.369 31.700 -0.068 0.000 1.008 280 F N 1.949 121.914 119.950 0.025 0.000 2.496 280 F HA 0.164 4.692 4.527 0.001 0.000 0.344 280 F C -1.193 174.666 175.800 0.099 0.000 1.155 280 F CA -1.989 56.023 58.000 0.020 0.000 1.302 280 F CB 0.156 39.108 39.000 -0.081 0.000 1.159 280 F HN 0.176 nan 8.300 nan 0.000 0.595 281 P HA 0.073 nan 4.420 nan 0.000 0.271 281 P C -1.084 176.406 177.300 0.317 0.000 1.216 281 P CA -0.243 63.000 63.100 0.238 0.000 0.776 281 P CB 0.654 32.455 31.700 0.167 0.000 0.881 282 R N 2.086 122.708 120.500 0.204 0.000 2.295 282 R HA 0.500 4.840 4.340 0.001 0.000 0.324 282 R C -0.733 175.745 176.300 0.298 0.000 0.968 282 R CA -0.939 55.235 56.100 0.123 0.000 0.837 282 R CB 1.023 31.124 30.300 -0.330 0.000 1.133 282 R HN 0.258 nan 8.270 nan 0.000 0.450 283 V N 2.623 122.822 119.914 0.474 0.000 2.407 283 V HA 0.178 4.299 4.120 0.001 0.000 0.291 283 V C 0.580 176.946 176.094 0.454 0.000 1.018 283 V CA -0.816 61.741 62.300 0.429 0.000 0.842 283 V CB 1.652 33.674 31.823 0.331 0.000 0.996 283 V HN 0.916 nan 8.190 nan 0.000 0.426 284 S N 4.063 119.919 115.700 0.259 0.000 2.579 284 S HA 0.099 4.570 4.470 0.001 0.000 0.275 284 S C 0.965 175.537 174.600 -0.047 0.000 1.345 284 S CA 0.072 58.202 58.200 -0.116 0.000 1.031 284 S CB 0.398 63.455 63.200 -0.240 0.000 0.892 284 S HN 0.760 nan 8.310 nan 0.000 0.529 285 Y N 1.758 121.888 120.300 -0.283 0.000 2.207 285 Y HA -0.172 4.378 4.550 0.001 0.000 0.287 285 Y C 1.541 177.355 175.900 -0.144 0.000 1.156 285 Y CA 2.360 60.270 58.100 -0.317 0.000 1.182 285 Y CB -0.549 37.607 38.460 -0.507 0.000 0.979 285 Y HN 0.758 nan 8.280 nan 0.000 0.521 286 D N 0.177 120.592 120.400 0.025 0.000 2.084 286 D HA -0.170 4.470 4.640 0.001 0.000 0.194 286 D C 2.057 178.316 176.300 -0.068 0.000 0.990 286 D CA 1.634 55.664 54.000 0.050 0.000 0.826 286 D CB -0.302 40.584 40.800 0.143 0.000 0.971 286 D HN 0.160 nan 8.370 nan 0.000 0.453 287 K N 0.954 121.321 120.400 -0.055 0.000 2.097 287 K HA 0.003 4.323 4.320 0.001 0.000 0.206 287 K C 1.742 178.271 176.600 -0.118 0.000 1.049 287 K CA 1.380 57.631 56.287 -0.061 0.000 0.933 287 K CB -0.546 31.948 32.500 -0.010 0.000 0.717 287 K HN 0.048 nan 8.250 nan 0.000 0.442 288 A N 0.158 122.895 122.820 -0.139 0.000 1.933 288 A HA -0.088 4.232 4.320 0.001 0.000 0.218 288 A C 2.002 179.449 177.584 -0.228 0.000 1.175 288 A CA 1.384 53.322 52.037 -0.165 0.000 0.628 288 A CB -0.544 18.378 19.000 -0.130 0.000 0.814 288 A HN 0.282 nan 8.150 nan 0.000 0.444 289 L N -0.238 120.802 121.223 -0.305 0.000 2.093 289 L HA -0.101 4.240 4.340 0.001 0.000 0.208 289 L C 2.373 179.147 176.870 -0.160 0.000 1.085 289 L CA 2.079 56.757 54.840 -0.269 0.000 0.755 289 L CB -0.623 41.235 42.059 -0.334 0.000 0.904 289 L HN 0.612 nan 8.230 nan 0.000 0.435 290 E N -0.092 120.026 120.200 -0.137 0.000 2.051 290 E HA -0.221 4.129 4.350 0.001 0.000 0.192 290 E C 2.335 178.851 176.600 -0.142 0.000 0.991 290 E CA 1.329 57.665 56.400 -0.106 0.000 0.799 290 E CB -0.087 29.562 29.700 -0.085 0.000 0.748 290 E HN 0.470 nan 8.360 nan 0.000 0.449 291 I N 1.033 121.479 120.570 -0.207 0.000 2.163 291 I HA -0.312 3.858 4.170 0.001 0.000 0.243 291 I C 2.476 178.450 176.117 -0.239 0.000 1.085 291 I CA 0.976 62.087 61.300 -0.315 0.000 1.347 291 I CB -0.240 37.441 38.000 -0.531 0.000 1.044 291 I HN 0.213 nan 8.210 nan 0.000 0.408 292 L N 0.354 121.465 121.223 -0.186 0.000 2.131 292 L HA -0.123 4.217 4.340 0.001 0.000 0.210 292 L C 2.661 179.477 176.870 -0.090 0.000 1.092 292 L CA 1.336 56.102 54.840 -0.123 0.000 0.759 292 L CB -1.053 40.942 42.059 -0.106 0.000 0.903 292 L HN 0.332 nan 8.230 nan 0.000 0.435 293 G N -0.295 108.451 108.800 -0.090 0.000 2.418 293 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 293 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 293 G C 1.068 175.936 174.900 -0.053 0.000 1.158 293 G CA 0.884 45.948 45.100 -0.060 0.000 0.771 293 G HN 0.289 nan 8.290 nan 0.000 0.545 294 D N 0.443 120.802 120.400 -0.068 0.000 2.123 294 D HA -0.061 4.579 4.640 0.001 0.000 0.196 294 D C 2.302 178.580 176.300 -0.036 0.000 0.992 294 D CA 0.577 54.546 54.000 -0.051 0.000 0.833 294 D CB -0.197 40.562 40.800 -0.067 0.000 0.954 294 D HN 0.304 nan 8.370 nan 0.000 0.455 295 L N -0.894 120.302 121.223 -0.046 0.000 2.627 295 L HA 0.219 4.559 4.340 0.001 0.000 0.233 295 L C 1.467 178.326 176.870 -0.019 0.000 1.144 295 L CA 0.294 55.120 54.840 -0.024 0.000 0.892 295 L CB -0.270 41.775 42.059 -0.024 0.000 1.039 295 L HN 0.161 nan 8.230 nan 0.000 0.442 296 G N -0.050 108.736 108.800 -0.023 0.000 2.162 296 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 296 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 296 G C 0.365 175.255 174.900 -0.016 0.000 0.976 296 G CA -0.146 44.944 45.100 -0.016 0.000 0.655 296 G HN 0.217 nan 8.290 nan 0.000 0.533 297 K N 1.399 121.784 120.400 -0.024 0.000 2.268 297 K HA 0.320 4.640 4.320 0.001 0.000 0.276 297 K C 0.004 176.589 176.600 -0.026 0.000 1.080 297 K CA -0.194 56.080 56.287 -0.021 0.000 0.910 297 K CB 0.466 32.952 32.500 -0.024 0.000 1.163 297 K HN 0.539 nan 8.250 nan 0.000 0.465 298 E N 4.171 124.363 120.200 -0.015 0.000 2.130 298 E HA 0.269 4.620 4.350 0.001 0.000 0.284 298 E C -0.310 176.288 176.600 -0.004 0.000 1.018 298 E CA -0.220 56.174 56.400 -0.010 0.000 0.817 298 E CB 1.134 30.834 29.700 -0.000 0.000 1.078 298 E HN 0.389 nan 8.360 nan 0.000 0.396 299 I N 5.339 125.903 120.570 -0.011 0.000 2.411 299 I HA 0.245 4.415 4.170 0.001 0.000 0.284 299 I C -2.263 173.873 176.117 0.032 0.000 1.012 299 I CA -2.415 58.885 61.300 -0.000 0.000 1.119 299 I CB 1.525 39.503 38.000 -0.035 0.000 1.261 299 I HN 0.220 nan 8.210 nan 0.000 0.448 300 P HA -0.118 nan 4.420 nan 0.000 0.262 300 P C -0.587 176.829 177.300 0.192 0.000 1.182 300 P CA -0.007 63.165 63.100 0.121 0.000 0.761 300 P CB 0.301 32.061 31.700 0.100 0.000 0.795 301 W N 3.588 124.936 121.300 0.081 0.000 2.343 301 W HA 0.242 4.902 4.660 0.001 0.000 0.337 301 W C 1.360 177.982 176.519 0.170 0.000 1.320 301 W CA 2.305 59.751 57.345 0.169 0.000 1.290 301 W CB 0.088 29.622 29.460 0.124 0.000 1.206 301 W HN 0.786 nan 8.180 nan 0.000 0.565 302 G N 2.535 111.196 108.800 -0.232 0.000 2.313 302 G HA2 -0.266 3.694 3.960 0.001 0.000 0.215 302 G HA3 -0.266 3.694 3.960 0.001 0.000 0.215 302 G C 0.278 175.092 174.900 -0.145 0.000 1.023 302 G CA -0.024 44.917 45.100 -0.266 0.000 0.626 302 G HN 0.534 nan 8.290 nan 0.000 0.503 303 E N 1.256 121.462 120.200 0.011 0.000 2.371 303 E HA 0.404 4.754 4.350 0.001 0.000 0.257 303 E C -0.582 176.067 176.600 0.082 0.000 1.134 303 E CA -0.522 55.899 56.400 0.036 0.000 0.919 303 E CB 0.530 30.264 29.700 0.056 0.000 1.025 303 E HN 0.279 nan 8.360 nan 0.000 0.438 304 D N 1.018 121.457 120.400 0.064 0.000 2.341 304 D HA 0.143 4.783 4.640 0.001 0.000 0.245 304 D C -0.114 176.258 176.300 0.120 0.000 1.106 304 D CA 0.051 54.113 54.000 0.104 0.000 0.905 304 D CB 0.686 41.518 40.800 0.053 0.000 1.202 304 D HN 0.246 nan 8.370 nan 0.000 0.426 305 I N 3.052 123.721 120.570 0.164 0.000 2.363 305 I HA -0.024 4.147 4.170 0.001 0.000 0.292 305 I C 0.960 177.131 176.117 0.090 0.000 1.075 305 I CA -0.669 60.696 61.300 0.108 0.000 1.333 305 I CB 0.279 38.355 38.000 0.127 0.000 1.415 305 I HN 0.289 nan 8.210 nan 0.000 0.502 306 D N 3.872 124.308 120.400 0.060 0.000 2.346 306 D HA 0.005 4.646 4.640 0.001 0.000 0.249 306 D C 1.071 177.404 176.300 0.055 0.000 1.308 306 D CA -0.369 53.662 54.000 0.052 0.000 0.987 306 D CB 0.270 41.092 40.800 0.036 0.000 1.114 306 D HN 0.387 nan 8.370 nan 0.000 0.529 307 T N -0.824 113.759 114.554 0.049 0.000 2.684 307 T HA -0.212 4.138 4.350 0.001 0.000 0.267 307 T C 1.496 176.222 174.700 0.043 0.000 1.036 307 T CA 2.048 64.177 62.100 0.048 0.000 1.148 307 T CB -0.318 68.574 68.868 0.039 0.000 0.863 307 T HN 0.583 nan 8.240 nan 0.000 0.436 308 E N 1.056 121.276 120.200 0.033 0.000 2.077 308 E HA -0.057 4.294 4.350 0.001 0.000 0.193 308 E C 2.353 178.972 176.600 0.032 0.000 0.989 308 E CA 1.665 58.081 56.400 0.027 0.000 0.800 308 E CB -0.990 28.720 29.700 0.018 0.000 0.746 308 E HN 0.456 nan 8.360 nan 0.000 0.452 309 G N 0.233 109.053 108.800 0.033 0.000 2.422 309 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 309 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 309 G C 1.504 176.439 174.900 0.058 0.000 1.146 309 G CA 0.811 45.930 45.100 0.032 0.000 0.769 309 G HN 0.347 nan 8.290 nan 0.000 0.547 310 E N -0.312 119.935 120.200 0.078 0.000 2.072 310 E HA -0.080 4.270 4.350 0.001 0.000 0.191 310 E C 2.525 179.190 176.600 0.109 0.000 0.985 310 E CA 0.413 56.879 56.400 0.111 0.000 0.801 310 E CB -0.083 29.678 29.700 0.103 0.000 0.750 310 E HN 0.356 nan 8.360 nan 0.000 0.452 311 R N 0.867 121.412 120.500 0.075 0.000 2.070 311 R HA -0.151 4.190 4.340 0.001 0.000 0.233 311 R C 2.418 178.758 176.300 0.068 0.000 1.137 311 R CA 1.144 57.283 56.100 0.065 0.000 0.945 311 R CB -0.291 30.034 30.300 0.043 0.000 0.845 311 R HN 0.130 nan 8.270 nan 0.000 0.430 312 L N 0.748 122.004 121.223 0.056 0.000 2.042 312 L HA -0.234 4.106 4.340 0.001 0.000 0.210 312 L C 2.535 179.450 176.870 0.075 0.000 1.076 312 L CA 1.292 56.163 54.840 0.053 0.000 0.749 312 L CB -0.401 41.673 42.059 0.027 0.000 0.893 312 L HN 0.286 nan 8.230 nan 0.000 0.432 313 L N -0.762 120.506 121.223 0.075 0.000 2.056 313 L HA -0.107 4.233 4.340 0.001 0.000 0.207 313 L C 2.649 179.575 176.870 0.094 0.000 1.078 313 L CA 1.310 56.197 54.840 0.077 0.000 0.749 313 L CB -0.967 41.166 42.059 0.122 0.000 0.901 313 L HN 0.314 nan 8.230 nan 0.000 0.433 314 G N -0.385 108.513 108.800 0.164 0.000 2.422 314 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 314 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 314 G C 1.673 176.621 174.900 0.080 0.000 1.146 314 G CA 0.718 45.926 45.100 0.181 0.000 0.769 314 G HN 0.250 nan 8.290 nan 0.000 0.547 315 K N -0.684 119.759 120.400 0.072 0.000 2.025 315 K HA -0.123 4.198 4.320 0.001 0.000 0.207 315 K C 2.155 178.768 176.600 0.021 0.000 1.049 315 K CA 1.140 57.451 56.287 0.040 0.000 0.933 315 K CB -0.377 32.150 32.500 0.045 0.000 0.714 315 K HN 0.364 nan 8.250 nan 0.000 0.438 316 Y N 0.771 121.033 120.300 -0.063 0.000 2.145 316 Y HA -0.259 4.292 4.550 0.001 0.000 0.286 316 Y C 2.009 177.835 175.900 -0.123 0.000 1.145 316 Y CA 1.761 59.809 58.100 -0.085 0.000 1.148 316 Y CB -0.031 38.374 38.460 -0.092 0.000 0.981 316 Y HN 0.039 nan 8.280 nan 0.000 0.507 317 M N -0.657 118.898 119.600 -0.075 0.000 2.159 317 M HA -0.196 4.284 4.480 0.001 0.000 0.263 317 M C 2.258 178.439 176.300 -0.198 0.000 1.063 317 M CA 1.650 56.814 55.300 -0.226 0.000 1.110 317 M CB -1.116 31.217 32.600 -0.446 0.000 1.374 317 M HN 0.526 nan 8.290 nan 0.000 0.411 318 M N 0.940 120.468 119.600 -0.121 0.000 2.077 318 M HA -0.139 4.342 4.480 0.001 0.000 0.261 318 M C 1.765 177.991 176.300 -0.124 0.000 1.070 318 M CA 1.916 57.164 55.300 -0.088 0.000 1.125 318 M CB -0.461 32.117 32.600 -0.037 0.000 1.339 318 M HN 0.258 nan 8.290 nan 0.000 0.409 319 E N -0.896 119.214 120.200 -0.150 0.000 2.358 319 E HA -0.057 4.293 4.350 0.001 0.000 0.195 319 E C 1.268 177.730 176.600 -0.231 0.000 1.010 319 E CA 0.876 57.180 56.400 -0.160 0.000 0.856 319 E CB -0.119 29.505 29.700 -0.128 0.000 0.795 319 E HN 0.679 nan 8.360 nan 0.000 0.504 320 N N -0.212 118.265 118.700 -0.371 0.000 2.382 320 N HA 0.018 4.758 4.740 0.001 0.000 0.200 320 N C 0.979 176.306 175.510 -0.305 0.000 1.122 320 N CA 0.238 53.028 53.050 -0.433 0.000 0.870 320 N CB 0.678 38.635 38.487 -0.883 0.000 1.176 320 N HN -0.006 nan 8.380 nan 0.000 0.474 321 E N 0.856 120.897 120.200 -0.265 0.000 2.511 321 E HA 0.068 4.419 4.350 0.001 0.000 0.209 321 E C -0.135 176.405 176.600 -0.100 0.000 0.986 321 E CA -0.109 56.202 56.400 -0.148 0.000 0.974 321 E CB 0.140 29.767 29.700 -0.122 0.000 1.030 321 E HN 0.253 nan 8.360 nan 0.000 0.490 322 N N 0.669 119.302 118.700 -0.112 0.000 2.754 322 N HA -0.212 4.528 4.740 0.001 0.000 0.248 322 N C -0.960 174.511 175.510 -0.064 0.000 1.093 322 N CA 0.525 53.527 53.050 -0.079 0.000 0.699 322 N CB -0.600 37.851 38.487 -0.061 0.000 1.016 322 N HN 0.104 nan 8.380 nan 0.000 0.552 323 A N 0.749 123.524 122.820 -0.075 0.000 2.363 323 A HA 0.517 4.837 4.320 0.001 0.000 0.296 323 A C -1.452 176.093 177.584 -0.065 0.000 1.237 323 A CA -1.092 50.900 52.037 -0.075 0.000 0.773 323 A CB 1.338 20.309 19.000 -0.048 0.000 1.153 323 A HN 0.201 nan 8.150 nan 0.000 0.473 324 P HA 0.083 nan 4.420 nan 0.000 0.236 324 P C -0.119 177.147 177.300 -0.056 0.000 1.177 324 P CA 0.585 63.687 63.100 0.003 0.000 0.773 324 P CB 0.264 32.003 31.700 0.066 0.000 0.878 325 L N 0.433 121.441 121.223 -0.359 0.000 2.385 325 L HA 0.506 4.847 4.340 0.001 0.000 0.273 325 L C -0.573 175.993 176.870 -0.507 0.000 0.990 325 L CA -1.190 53.231 54.840 -0.698 0.000 0.821 325 L CB 1.883 42.994 42.059 -1.580 0.000 1.279 325 L HN -0.015 nan 8.230 nan 0.000 0.412 326 Y N 0.927 120.952 120.300 -0.458 0.000 2.641 326 Y HA 0.665 5.215 4.550 0.001 0.000 0.333 326 Y C -1.856 173.947 175.900 -0.162 0.000 1.174 326 Y CA -1.556 56.417 58.100 -0.212 0.000 1.057 326 Y CB 0.987 39.423 38.460 -0.039 0.000 1.322 326 Y HN 0.241 nan 8.280 nan 0.000 0.457 327 F N 2.510 122.481 119.950 0.034 0.000 2.425 327 F HA 0.648 5.175 4.527 0.001 0.000 0.331 327 F C -0.389 175.504 175.800 0.154 0.000 1.085 327 F CA -0.821 57.180 58.000 0.003 0.000 1.028 327 F CB 1.620 40.619 39.000 -0.001 0.000 1.177 327 F HN 0.353 nan 8.300 nan 0.000 0.487 328 L N 4.213 125.688 121.223 0.420 0.000 2.305 328 L HA 0.467 4.808 4.340 0.001 0.000 0.284 328 L C -0.832 176.370 176.870 0.554 0.000 1.013 328 L CA -0.739 54.348 54.840 0.411 0.000 0.819 328 L CB 1.132 43.367 42.059 0.293 0.000 1.227 328 L HN 0.711 nan 8.230 nan 0.000 0.417 329 Y N 0.537 120.935 120.300 0.163 0.000 2.805 329 Y HA 0.463 5.013 4.550 0.001 0.000 0.323 329 Y C -0.370 175.589 175.900 0.099 0.000 1.279 329 Y CA -1.315 56.926 58.100 0.235 0.000 1.103 329 Y CB 1.162 39.782 38.460 0.267 0.000 1.324 329 Y HN 0.502 nan 8.280 nan 0.000 0.498 330 Q N 0.191 120.008 119.800 0.028 0.000 2.452 330 Q HA -0.247 4.093 4.340 0.001 0.000 0.318 330 Q C -1.542 174.425 176.000 -0.055 0.000 1.386 330 Q CA 0.521 56.277 55.803 -0.078 0.000 0.872 330 Q CB -1.810 26.661 28.738 -0.445 0.000 1.151 330 Q HN 0.582 nan 8.270 nan 0.000 0.417 331 Y N -0.078 120.197 120.300 -0.042 0.000 2.330 331 Y HA 0.175 4.725 4.550 0.001 0.000 0.341 331 Y C -1.639 174.053 175.900 -0.348 0.000 1.278 331 Y CA -1.841 56.087 58.100 -0.286 0.000 1.453 331 Y CB 0.324 38.650 38.460 -0.224 0.000 1.342 331 Y HN 0.081 nan 8.280 nan 0.000 0.590 332 P HA 0.053 nan 4.420 nan 0.000 0.271 332 P C 0.097 177.309 177.300 -0.148 0.000 1.226 332 P CA 0.429 63.286 63.100 -0.405 0.000 0.765 332 P CB 0.915 32.075 31.700 -0.901 0.000 0.835 333 S N 2.616 118.315 115.700 -0.002 0.000 2.402 333 S HA -0.205 4.265 4.470 0.001 0.000 0.233 333 S C 1.473 176.041 174.600 -0.053 0.000 1.030 333 S CA 1.311 59.506 58.200 -0.008 0.000 1.003 333 S CB -0.541 62.684 63.200 0.042 0.000 0.813 333 S HN 0.578 nan 8.310 nan 0.000 0.477 334 E N 1.308 121.484 120.200 -0.040 0.000 2.204 334 E HA -0.044 4.306 4.350 0.001 0.000 0.194 334 E C 1.930 178.473 176.600 -0.095 0.000 0.989 334 E CA 0.987 57.358 56.400 -0.048 0.000 0.824 334 E CB -0.222 29.472 29.700 -0.010 0.000 0.756 334 E HN 0.564 nan 8.360 nan 0.000 0.477 335 A N 0.822 123.554 122.820 -0.147 0.000 2.251 335 A HA 0.016 4.336 4.320 0.001 0.000 0.209 335 A C 0.849 178.309 177.584 -0.207 0.000 1.187 335 A CA 0.266 52.199 52.037 -0.173 0.000 0.823 335 A CB 0.254 19.123 19.000 -0.218 0.000 0.846 335 A HN -0.127 nan 8.150 nan 0.000 0.486 336 K N -0.024 120.251 120.400 -0.209 0.000 2.295 336 K HA 0.518 4.839 4.320 0.001 0.000 0.239 336 K C -3.077 173.333 176.600 -0.317 0.000 0.991 336 K CA -2.435 53.687 56.287 -0.274 0.000 0.845 336 K CB 0.765 33.110 32.500 -0.259 0.000 1.197 336 K HN -0.128 nan 8.250 nan 0.000 0.441 337 P HA 0.025 nan 4.420 nan 0.000 0.270 337 P C 0.659 177.529 177.300 -0.717 0.000 1.223 337 P CA -0.173 62.470 63.100 -0.762 0.000 0.785 337 P CB 0.159 30.975 31.700 -1.473 0.000 0.923 338 F N 0.479 120.143 119.950 -0.476 0.000 2.333 338 F HA -0.157 4.370 4.527 0.001 0.000 0.300 338 F C 1.534 177.191 175.800 -0.237 0.000 1.083 338 F CA 0.738 58.554 58.000 -0.308 0.000 1.395 338 F CB -1.908 36.937 39.000 -0.259 0.000 1.056 338 F HN 0.314 nan 8.300 nan 0.000 0.529 339 Y N -0.053 119.928 120.300 -0.532 0.000 2.529 339 Y HA 0.376 4.926 4.550 0.001 0.000 0.290 339 Y C 0.575 176.403 175.900 -0.119 0.000 1.177 339 Y CA -1.541 56.415 58.100 -0.240 0.000 1.305 339 Y CB -1.031 37.225 38.460 -0.341 0.000 1.047 339 Y HN -0.067 nan 8.280 nan 0.000 0.522 340 I N 2.819 123.279 120.570 -0.182 0.000 2.428 340 I HA 0.119 4.289 4.170 0.001 0.000 0.289 340 I C 0.219 176.314 176.117 -0.038 0.000 1.019 340 I CA -1.043 60.212 61.300 -0.076 0.000 1.351 340 I CB 1.205 39.109 38.000 -0.160 0.000 1.412 340 I HN 0.304 nan 8.210 nan 0.000 0.513 341 M N 6.325 125.917 119.600 -0.012 0.000 2.185 341 M HA 0.192 4.673 4.480 0.001 0.000 0.357 341 M C -0.145 176.133 176.300 -0.036 0.000 1.260 341 M CA -0.132 55.152 55.300 -0.025 0.000 1.124 341 M CB 0.416 32.999 32.600 -0.029 0.000 1.600 341 M HN 0.465 nan 8.290 nan 0.000 0.467 342 K N 3.389 123.780 120.400 -0.015 0.000 2.107 342 K HA 0.211 4.531 4.320 0.001 0.000 0.251 342 K C -1.322 175.288 176.600 0.015 0.000 1.012 342 K CA -0.420 55.892 56.287 0.043 0.000 0.920 342 K CB 0.663 33.197 32.500 0.058 0.000 1.033 342 K HN 0.502 nan 8.250 nan 0.000 0.478 343 Y N 2.071 122.396 120.300 0.042 0.000 2.480 343 Y HA -0.071 4.480 4.550 0.001 0.000 0.341 343 Y C 0.954 176.872 175.900 0.031 0.000 1.031 343 Y CA 0.224 58.350 58.100 0.044 0.000 1.295 343 Y CB 0.441 38.929 38.460 0.046 0.000 1.162 343 Y HN 0.648 nan 8.280 nan 0.000 0.523 344 D N 1.303 121.766 120.400 0.105 0.000 2.123 344 D HA -0.233 4.408 4.640 0.001 0.000 0.196 344 D C 1.617 177.969 176.300 0.087 0.000 0.992 344 D CA 1.631 55.674 54.000 0.072 0.000 0.833 344 D CB -0.083 40.741 40.800 0.040 0.000 0.954 344 D HN 0.662 nan 8.370 nan 0.000 0.455 345 N N 0.043 118.814 118.700 0.119 0.000 2.461 345 N HA -0.112 4.628 4.740 0.001 0.000 0.188 345 N C 0.194 175.750 175.510 0.076 0.000 1.134 345 N CA 0.379 53.482 53.050 0.088 0.000 0.878 345 N CB 0.437 38.976 38.487 0.086 0.000 0.972 345 N HN 0.100 nan 8.380 nan 0.000 0.456 346 K N 0.309 120.774 120.400 0.109 0.000 3.204 346 K HA 0.241 4.562 4.320 0.001 0.000 0.196 346 K C -2.441 174.224 176.600 0.109 0.000 1.229 346 K CA -0.939 55.388 56.287 0.066 0.000 0.820 346 K CB 1.251 33.756 32.500 0.008 0.000 1.130 346 K HN -0.261 nan 8.250 nan 0.000 0.569 347 P HA -0.244 nan 4.420 nan 0.000 0.219 347 P C 0.854 178.216 177.300 0.103 0.000 1.144 347 P CA 1.148 64.304 63.100 0.093 0.000 0.806 347 P CB 0.214 31.946 31.700 0.054 0.000 0.771 348 E N -1.193 119.068 120.200 0.102 0.000 2.482 348 E HA -0.056 4.294 4.350 0.001 0.000 0.196 348 E C 0.504 177.254 176.600 0.249 0.000 1.047 348 E CA 0.733 57.230 56.400 0.161 0.000 0.869 348 E CB -0.138 29.632 29.700 0.117 0.000 0.836 348 E HN 0.191 nan 8.360 nan 0.000 0.520 349 I N 2.084 122.771 120.570 0.196 0.000 2.530 349 I HA 0.213 4.383 4.170 0.001 0.000 0.297 349 I C 0.437 176.731 176.117 0.295 0.000 1.011 349 I CA -1.100 60.316 61.300 0.193 0.000 1.107 349 I CB 1.411 39.441 38.000 0.051 0.000 1.285 349 I HN 0.186 nan 8.210 nan 0.000 0.436 350 C N 4.171 123.641 119.300 0.282 0.000 2.771 350 C HA 0.611 5.072 4.460 0.001 0.000 0.333 350 C C 0.710 175.915 174.990 0.358 0.000 1.267 350 C CA -1.068 58.119 59.018 0.282 0.000 1.721 350 C CB 1.876 29.679 27.740 0.105 0.000 2.222 350 C HN 0.811 nan 8.230 nan 0.000 0.485 351 R N 0.970 121.570 120.500 0.167 0.000 4.263 351 R HA 0.458 4.799 4.340 0.001 0.000 0.248 351 R C 0.337 176.780 176.300 0.238 0.000 1.796 351 R CA 0.178 56.383 56.100 0.176 0.000 1.518 351 R CB -0.360 29.912 30.300 -0.047 0.000 1.342 351 R HN 0.824 nan 8.270 nan 0.000 0.706 352 A N 1.204 124.179 122.820 0.259 0.000 2.320 352 A HA 0.761 5.081 4.320 0.001 0.000 0.334 352 A C -0.427 177.411 177.584 0.423 0.000 1.147 352 A CA -0.651 51.480 52.037 0.157 0.000 0.820 352 A CB 0.666 19.658 19.000 -0.012 0.000 1.218 352 A HN 0.391 nan 8.150 nan 0.000 0.482 353 F N -0.953 119.170 119.950 0.287 0.000 2.662 353 F HA 0.809 5.336 4.527 0.001 0.000 0.312 353 F C -1.546 174.456 175.800 0.338 0.000 1.113 353 F CA -1.148 57.098 58.000 0.410 0.000 0.951 353 F CB 1.529 40.700 39.000 0.285 0.000 1.344 353 F HN 0.351 nan 8.300 nan 0.000 0.462 354 D N 1.834 122.646 120.400 0.686 0.000 2.780 354 D HA 0.468 5.108 4.640 0.001 0.000 0.242 354 D C -1.673 174.871 176.300 0.405 0.000 1.135 354 D CA -0.253 53.998 54.000 0.417 0.000 0.859 354 D CB 2.684 43.661 40.800 0.295 0.000 1.530 354 D HN 0.712 nan 8.370 nan 0.000 0.493 355 L N 1.998 123.355 121.223 0.223 0.000 2.272 355 L HA 0.406 4.747 4.340 0.001 0.000 0.289 355 L C -0.556 176.194 176.870 -0.199 0.000 1.032 355 L CA -0.149 54.610 54.840 -0.136 0.000 0.810 355 L CB 0.871 42.802 42.059 -0.213 0.000 1.205 355 L HN 0.177 nan 8.230 nan 0.000 0.422 356 E N 4.658 124.614 120.200 -0.407 0.000 2.175 356 E HA 0.245 4.595 4.350 0.001 0.000 0.278 356 E C -1.595 174.901 176.600 -0.175 0.000 0.969 356 E CA -0.399 55.823 56.400 -0.297 0.000 0.796 356 E CB 2.010 31.400 29.700 -0.518 0.000 1.104 356 E HN 0.425 nan 8.360 nan 0.000 0.395 357 Y N 2.776 122.982 120.300 -0.158 0.000 2.332 357 Y HA 0.187 4.737 4.550 0.000 0.000 0.326 357 Y C 0.133 176.000 175.900 -0.055 0.000 0.978 357 Y CA -1.467 56.553 58.100 -0.133 0.000 1.205 357 Y CB 0.380 38.761 38.460 -0.132 0.000 1.131 357 Y HN 0.594 nan 8.280 nan 0.000 0.462 358 R N 3.394 124.052 120.500 0.264 0.000 3.422 358 R HA -0.210 4.130 4.340 0.001 0.000 0.267 358 R C 0.936 177.287 176.300 0.085 0.000 1.074 358 R CA 0.965 57.128 56.100 0.105 0.000 0.718 358 R CB -1.829 28.452 30.300 -0.032 0.000 1.157 358 R HN 1.218 nan 8.270 nan 0.000 0.440 359 G N -1.453 107.431 108.800 0.140 0.000 2.153 359 G HA2 -0.312 3.649 3.960 0.001 0.000 0.252 359 G HA3 -0.312 3.649 3.960 0.001 0.000 0.252 359 G C 0.027 174.981 174.900 0.091 0.000 0.994 359 G CA 0.162 45.343 45.100 0.134 0.000 0.698 359 G HN 0.334 nan 8.290 nan 0.000 0.521 360 V N 0.139 120.095 119.914 0.071 0.000 2.638 360 V HA 0.432 4.553 4.120 0.001 0.000 0.306 360 V C 0.391 176.514 176.094 0.050 0.000 1.052 360 V CA -1.069 61.262 62.300 0.053 0.000 0.885 360 V CB 1.991 33.831 31.823 0.028 0.000 0.999 360 V HN 0.409 nan 8.190 nan 0.000 0.424 361 E N 3.753 123.983 120.200 0.050 0.000 2.417 361 E HA 0.117 4.468 4.350 0.001 0.000 0.261 361 E C 0.578 177.211 176.600 0.055 0.000 1.000 361 E CA 0.101 56.528 56.400 0.045 0.000 0.919 361 E CB 0.732 30.466 29.700 0.056 0.000 0.955 361 E HN 0.769 nan 8.360 nan 0.000 0.455 362 I N 0.654 121.256 120.570 0.052 0.000 4.323 362 I HA 0.330 4.500 4.170 0.001 0.000 0.328 362 I C 0.378 176.542 176.117 0.079 0.000 1.310 362 I CA -0.490 60.852 61.300 0.070 0.000 1.186 362 I CB 0.921 38.974 38.000 0.088 0.000 1.130 362 I HN 0.199 nan 8.210 nan 0.000 0.411 363 S N 0.521 116.270 115.700 0.083 0.000 2.567 363 S HA 0.709 5.180 4.470 0.001 0.000 0.270 363 S C -0.985 173.699 174.600 0.140 0.000 1.152 363 S CA 0.025 58.303 58.200 0.130 0.000 0.835 363 S CB 1.836 65.116 63.200 0.134 0.000 1.115 363 S HN 0.511 nan 8.310 nan 0.000 0.459 364 S N 1.352 117.121 115.700 0.116 0.000 2.541 364 S HA 0.962 5.433 4.470 0.001 0.000 0.271 364 S C -0.088 174.420 174.600 -0.152 0.000 1.133 364 S CA -0.140 58.039 58.200 -0.035 0.000 0.876 364 S CB 1.176 64.329 63.200 -0.078 0.000 1.105 364 S HN 1.609 nan 8.310 nan 0.000 0.470 365 G N -0.207 108.189 108.800 -0.672 0.000 2.570 365 G HA2 0.912 4.872 3.960 0.001 0.000 0.310 365 G HA3 0.912 4.872 3.960 0.001 0.000 0.310 365 G C -0.273 174.039 174.900 -0.981 0.000 1.266 365 G CA -0.105 44.605 45.100 -0.651 0.000 0.825 365 G HN 2.005 nan 8.290 nan 0.000 0.483 366 G N -1.595 106.973 108.800 -0.387 0.000 2.337 366 G HA2 0.510 4.471 3.960 0.001 0.000 0.298 366 G HA3 0.510 4.471 3.960 0.001 0.000 0.298 366 G C -1.331 173.673 174.900 0.174 0.000 1.335 366 G CA -0.003 45.110 45.100 0.021 0.000 0.875 366 G HN 0.769 nan 8.290 nan 0.000 0.579 367 Q N 0.189 120.084 119.800 0.159 0.000 2.288 367 Q HA 0.548 4.888 4.340 0.001 0.000 0.254 367 Q C 0.217 176.235 176.000 0.029 0.000 0.932 367 Q CA -0.649 55.200 55.803 0.076 0.000 0.902 367 Q CB 0.634 29.391 28.738 0.032 0.000 1.203 367 Q HN 0.469 nan 8.270 nan 0.000 0.415 368 R N 2.326 122.804 120.500 -0.036 0.000 2.549 368 R HA 0.230 4.570 4.340 0.001 0.000 0.267 368 R C -0.552 175.739 176.300 -0.015 0.000 1.045 368 R CA -0.788 55.305 56.100 -0.012 0.000 1.115 368 R CB 0.243 30.524 30.300 -0.032 0.000 1.121 368 R HN 0.620 nan 8.270 nan 0.000 0.543 369 E N 1.238 121.473 120.200 0.058 0.000 1.941 369 E HA 0.038 4.388 4.350 0.001 0.000 0.275 369 E C 0.468 177.134 176.600 0.111 0.000 1.113 369 E CA 0.003 56.431 56.400 0.045 0.000 0.878 369 E CB -0.210 29.486 29.700 -0.007 0.000 1.070 369 E HN 0.612 nan 8.360 nan 0.000 0.399 370 H N 2.131 121.225 119.070 0.039 0.000 2.548 370 H HA 0.268 4.824 4.556 0.001 0.000 0.265 370 H C 0.034 175.522 175.328 0.266 0.000 0.969 370 H CA -0.195 56.011 56.048 0.264 0.000 1.155 370 H CB 0.246 30.055 29.762 0.080 0.000 1.394 370 H HN 0.103 nan 8.280 nan 0.000 0.570 371 R N 1.921 122.192 120.500 -0.381 0.000 2.248 371 R HA 0.011 4.352 4.340 0.001 0.000 0.337 371 R C 0.841 177.073 176.300 -0.114 0.000 1.085 371 R CA -0.188 55.745 56.100 -0.278 0.000 0.934 371 R CB 0.152 30.254 30.300 -0.330 0.000 1.034 371 R HN 0.455 nan 8.270 nan 0.000 0.465 372 H N 3.483 122.496 119.070 -0.095 0.000 2.260 372 H HA -0.272 4.284 4.556 0.001 0.000 0.288 372 H C 0.491 175.728 175.328 -0.152 0.000 1.094 372 H CA 2.496 58.468 56.048 -0.126 0.000 1.197 372 H CB 0.493 30.210 29.762 -0.075 0.000 1.346 372 H HN 0.579 nan 8.280 nan 0.000 0.486 373 D N 0.401 120.789 120.400 -0.019 0.000 2.123 373 D HA -0.119 4.522 4.640 0.001 0.000 0.196 373 D C 2.605 178.816 176.300 -0.148 0.000 0.992 373 D CA 1.255 55.216 54.000 -0.065 0.000 0.833 373 D CB -0.436 40.372 40.800 0.013 0.000 0.954 373 D HN 0.501 nan 8.370 nan 0.000 0.455 374 I N 0.338 120.829 120.570 -0.132 0.000 2.226 374 I HA -0.226 3.944 4.170 0.001 0.000 0.245 374 I C 2.345 178.367 176.117 -0.158 0.000 1.100 374 I CA 0.419 61.645 61.300 -0.123 0.000 1.374 374 I CB -0.186 37.752 38.000 -0.104 0.000 1.057 374 I HN 0.014 nan 8.210 nan 0.000 0.413 375 L N 0.793 121.881 121.223 -0.225 0.000 2.012 375 L HA -0.165 4.176 4.340 0.001 0.000 0.210 375 L C 2.442 179.137 176.870 -0.292 0.000 1.073 375 L CA 1.824 56.512 54.840 -0.253 0.000 0.748 375 L CB -0.614 41.193 42.059 -0.421 0.000 0.891 375 L HN -0.026 nan 8.230 nan 0.000 0.431 376 V N -0.036 119.651 119.914 -0.378 0.000 2.332 376 V HA -0.266 3.854 4.120 0.001 0.000 0.248 376 V C 2.692 178.646 176.094 -0.233 0.000 1.055 376 V CA 1.879 63.978 62.300 -0.336 0.000 1.038 376 V CB -0.732 30.895 31.823 -0.326 0.000 0.651 376 V HN 0.477 nan 8.190 nan 0.000 0.450 377 E N -0.091 120.002 120.200 -0.177 0.000 2.106 377 E HA -0.210 4.140 4.350 0.001 0.000 0.192 377 E C 2.293 178.823 176.600 -0.117 0.000 0.984 377 E CA 1.147 57.473 56.400 -0.124 0.000 0.806 377 E CB -0.274 29.371 29.700 -0.090 0.000 0.750 377 E HN 0.707 nan 8.360 nan 0.000 0.458 378 Q N -0.079 119.649 119.800 -0.119 0.000 2.230 378 Q HA -0.002 4.339 4.340 0.001 0.000 0.202 378 Q C 2.324 178.253 176.000 -0.119 0.000 0.963 378 Q CA 0.612 56.370 55.803 -0.076 0.000 0.866 378 Q CB 0.012 28.736 28.738 -0.023 0.000 0.931 378 Q HN 0.310 nan 8.270 nan 0.000 0.452 379 I N 0.771 121.169 120.570 -0.286 0.000 2.315 379 I HA -0.263 3.907 4.170 0.001 0.000 0.248 379 I C 2.081 178.029 176.117 -0.281 0.000 1.117 379 I CA 1.178 62.156 61.300 -0.537 0.000 1.404 379 I CB -0.114 37.398 38.000 -0.815 0.000 1.071 379 I HN 0.117 nan 8.210 nan 0.000 0.419 380 K N 0.797 121.083 120.400 -0.190 0.000 2.057 380 K HA -0.172 4.149 4.320 0.001 0.000 0.206 380 K C 1.931 178.484 176.600 -0.078 0.000 1.050 380 K CA 1.342 57.562 56.287 -0.112 0.000 0.935 380 K CB -0.120 32.326 32.500 -0.091 0.000 0.715 380 K HN 0.332 nan 8.250 nan 0.000 0.439 381 E N 0.643 120.799 120.200 -0.073 0.000 2.209 381 E HA -0.144 4.207 4.350 0.001 0.000 0.196 381 E C 1.279 177.858 176.600 -0.035 0.000 0.993 381 E CA 0.798 57.171 56.400 -0.045 0.000 0.819 381 E CB 0.163 29.841 29.700 -0.037 0.000 0.745 381 E HN 0.098 nan 8.360 nan 0.000 0.477 382 K N -0.360 120.015 120.400 -0.042 0.000 2.444 382 K HA 0.062 4.383 4.320 0.001 0.000 0.193 382 K C 0.937 177.527 176.600 -0.017 0.000 1.024 382 K CA 0.640 56.917 56.287 -0.018 0.000 1.077 382 K CB 0.779 33.290 32.500 0.019 0.000 0.833 382 K HN 0.257 nan 8.250 nan 0.000 0.517 383 G N 1.662 110.445 108.800 -0.028 0.000 2.147 383 G HA2 -0.257 3.703 3.960 0.001 0.000 0.244 383 G HA3 -0.257 3.703 3.960 0.001 0.000 0.244 383 G C 0.019 174.913 174.900 -0.010 0.000 1.005 383 G CA 0.164 45.254 45.100 -0.017 0.000 0.713 383 G HN 0.224 nan 8.290 nan 0.000 0.515 384 L N -0.706 120.501 121.223 -0.027 0.000 2.331 384 L HA 0.593 4.933 4.340 0.001 0.000 0.268 384 L C 0.323 177.197 176.870 0.006 0.000 1.015 384 L CA -1.355 53.491 54.840 0.010 0.000 0.807 384 L CB 1.299 43.364 42.059 0.010 0.000 1.293 384 L HN 0.095 nan 8.230 nan 0.000 0.451 385 N N 0.678 119.423 118.700 0.074 0.000 2.437 385 N HA 0.278 5.018 4.740 0.001 0.000 0.259 385 N C -2.123 173.470 175.510 0.138 0.000 0.983 385 N CA -2.118 50.967 53.050 0.059 0.000 0.937 385 N CB 1.774 40.282 38.487 0.034 0.000 1.122 385 N HN 0.164 nan 8.380 nan 0.000 0.499 386 P HA -0.088 nan 4.420 nan 0.000 0.218 386 P C 0.492 177.877 177.300 0.142 0.000 1.148 386 P CA 1.158 64.305 63.100 0.077 0.000 0.822 386 P CB 0.469 32.144 31.700 -0.041 0.000 0.784 387 E N -0.973 119.269 120.200 0.071 0.000 2.204 387 E HA -0.096 4.255 4.350 0.001 0.000 0.195 387 E C 1.816 178.423 176.600 0.012 0.000 0.990 387 E CA 1.110 57.531 56.400 0.034 0.000 0.821 387 E CB -0.575 29.130 29.700 0.008 0.000 0.750 387 E HN 0.173 nan 8.360 nan 0.000 0.477 388 S N -0.234 115.452 115.700 -0.023 0.000 2.507 388 S HA -0.037 4.433 4.470 0.001 0.000 0.235 388 S C 0.418 174.777 174.600 -0.402 0.000 0.988 388 S CA 0.550 58.617 58.200 -0.221 0.000 0.944 388 S CB -0.031 62.953 63.200 -0.360 0.000 0.762 388 S HN 0.208 nan 8.310 nan 0.000 0.526 389 F N 0.795 120.760 119.950 0.026 0.000 2.855 389 F HA 0.369 4.896 4.527 0.001 0.000 0.317 389 F C 1.459 177.341 175.800 0.136 0.000 1.169 389 F CA -0.660 57.400 58.000 0.099 0.000 1.299 389 F CB 0.153 39.201 39.000 0.081 0.000 0.962 389 F HN -0.012 nan 8.300 nan 0.000 0.506 390 E N 1.008 121.289 120.200 0.136 0.000 2.058 390 E HA -0.224 4.126 4.350 0.001 0.000 0.194 390 E C 1.751 178.355 176.600 0.008 0.000 0.997 390 E CA 2.031 58.429 56.400 -0.003 0.000 0.801 390 E CB -0.386 29.181 29.700 -0.222 0.000 0.746 390 E HN 0.450 nan 8.360 nan 0.000 0.450 391 F N -0.813 119.247 119.950 0.183 0.000 2.171 391 F HA -0.132 4.396 4.527 0.001 0.000 0.300 391 F C 2.239 178.197 175.800 0.263 0.000 1.090 391 F CA 1.391 59.503 58.000 0.187 0.000 1.293 391 F CB -0.593 38.494 39.000 0.145 0.000 1.013 391 F HN 0.149 nan 8.300 nan 0.000 0.486 392 Y N 0.809 121.315 120.300 0.344 0.000 2.130 392 Y HA -0.155 4.396 4.550 0.001 0.000 0.287 392 Y C 2.089 178.252 175.900 0.439 0.000 1.124 392 Y CA 1.413 59.722 58.100 0.348 0.000 1.118 392 Y CB -0.753 37.912 38.460 0.343 0.000 0.994 392 Y HN -0.065 nan 8.280 nan 0.000 0.497 393 L N 0.705 122.080 121.223 0.254 0.000 2.081 393 L HA -0.275 4.065 4.340 0.001 0.000 0.212 393 L C 2.597 179.647 176.870 0.300 0.000 1.080 393 L CA 1.951 56.858 54.840 0.111 0.000 0.754 393 L CB -0.618 41.499 42.059 0.095 0.000 0.893 393 L HN 0.234 nan 8.230 nan 0.000 0.433 394 K N 0.333 120.884 120.400 0.252 0.000 2.211 394 K HA -0.183 4.138 4.320 0.001 0.000 0.204 394 K C 2.024 178.784 176.600 0.266 0.000 1.047 394 K CA 1.185 57.613 56.287 0.236 0.000 0.935 394 K CB -0.043 32.584 32.500 0.212 0.000 0.728 394 K HN 0.317 nan 8.250 nan 0.000 0.452 395 A N -0.069 122.895 122.820 0.240 0.000 2.121 395 A HA -0.054 4.266 4.320 0.001 0.000 0.218 395 A C 1.230 178.763 177.584 -0.085 0.000 1.154 395 A CA 0.810 52.888 52.037 0.067 0.000 0.679 395 A CB -0.352 18.604 19.000 -0.072 0.000 0.795 395 A HN 0.310 nan 8.150 nan 0.000 0.458 396 F N -0.695 119.246 119.950 -0.014 0.000 2.732 396 F HA 0.223 4.750 4.527 0.001 0.000 0.303 396 F C 2.017 177.774 175.800 -0.071 0.000 1.110 396 F CA 0.242 58.238 58.000 -0.006 0.000 1.355 396 F CB 0.132 39.138 39.000 0.010 0.000 1.081 396 F HN 0.104 nan 8.300 nan 0.000 0.565 397 R N -1.494 118.958 120.500 -0.081 0.000 2.282 397 R HA 0.120 4.460 4.340 0.001 0.000 0.195 397 R C -0.223 175.628 176.300 -0.749 0.000 0.909 397 R CA 0.439 56.224 56.100 -0.526 0.000 1.039 397 R CB 0.138 29.931 30.300 -0.845 0.000 1.015 397 R HN 0.241 nan 8.270 nan 0.000 0.513 398 Y N 0.219 120.508 120.300 -0.018 0.000 2.617 398 Y HA 0.400 4.950 4.550 0.001 0.000 0.328 398 Y C 0.334 176.223 175.900 -0.018 0.000 0.946 398 Y CA -0.583 57.505 58.100 -0.020 0.000 1.241 398 Y CB 1.374 39.823 38.460 -0.018 0.000 1.226 398 Y HN 0.109 nan 8.280 nan 0.000 0.582 399 G N 1.880 110.706 108.800 0.043 0.000 2.830 399 G HA2 -0.095 3.866 3.960 0.001 0.000 0.298 399 G HA3 -0.095 3.866 3.960 0.001 0.000 0.298 399 G C -1.055 173.843 174.900 -0.004 0.000 1.031 399 G CA -0.637 44.485 45.100 0.036 0.000 1.179 399 G HN 0.214 nan 8.290 nan 0.000 0.527 400 M N 4.971 124.563 119.600 -0.014 0.000 2.134 400 M HA 0.642 5.123 4.480 0.001 0.000 0.310 400 M C -2.176 174.104 176.300 -0.033 0.000 0.966 400 M CA -2.576 52.681 55.300 -0.072 0.000 0.922 400 M CB 1.859 34.399 32.600 -0.100 0.000 1.537 400 M HN 0.283 nan 8.290 nan 0.000 0.424 401 P HA 0.433 nan 4.420 nan 0.000 0.276 401 P C -2.898 174.139 177.300 -0.438 0.000 1.252 401 P CA -1.312 61.505 63.100 -0.471 0.000 0.802 401 P CB -0.370 30.635 31.700 -1.159 0.000 1.035 402 P HA 0.156 nan 4.420 nan 0.000 0.268 402 P C -0.680 176.409 177.300 -0.353 0.000 1.205 402 P CA 0.607 63.193 63.100 -0.858 0.000 0.771 402 P CB 0.021 31.358 31.700 -0.604 0.000 0.858 403 H N -0.427 118.482 119.070 -0.268 0.000 3.014 403 H HA 0.859 5.416 4.556 0.001 0.000 0.337 403 H C -0.838 174.486 175.328 -0.008 0.000 1.320 403 H CA -1.252 54.719 56.048 -0.127 0.000 1.128 403 H CB 0.920 30.600 29.762 -0.137 0.000 1.862 403 H HN 0.619 nan 8.280 nan 0.000 0.536 404 G N -1.249 107.644 108.800 0.155 0.000 2.623 404 G HA2 0.635 4.596 3.960 0.001 0.000 0.290 404 G HA3 0.635 4.596 3.960 0.001 0.000 0.290 404 G C -1.038 173.987 174.900 0.207 0.000 1.437 404 G CA -0.392 44.808 45.100 0.166 0.000 0.798 404 G HN 1.152 nan 8.290 nan 0.000 0.488 405 G N -1.565 107.368 108.800 0.221 0.000 2.570 405 G HA2 0.875 4.836 3.960 0.001 0.000 0.310 405 G HA3 0.875 4.836 3.960 0.001 0.000 0.310 405 G C -1.450 173.616 174.900 0.277 0.000 1.266 405 G CA 0.080 45.283 45.100 0.172 0.000 0.825 405 G HN 1.739 nan 8.290 nan 0.000 0.483 406 F N -2.190 117.888 119.950 0.213 0.000 2.713 406 F HA 0.796 5.323 4.527 0.000 0.000 0.311 406 F C -0.186 175.702 175.800 0.147 0.000 1.141 406 F CA -0.901 57.202 58.000 0.171 0.000 0.939 406 F CB 1.562 40.759 39.000 0.329 0.000 1.325 406 F HN 0.924 nan 8.300 nan 0.000 0.453 407 G N 1.677 110.712 108.800 0.392 0.000 2.574 407 G HA2 0.585 4.545 3.960 0.001 0.000 0.306 407 G HA3 0.585 4.545 3.960 0.001 0.000 0.306 407 G C -2.468 172.646 174.900 0.357 0.000 1.334 407 G CA -0.759 44.508 45.100 0.279 0.000 0.954 407 G HN 0.837 nan 8.290 nan 0.000 0.500 408 L N 3.398 124.858 121.223 0.395 0.000 2.298 408 L HA 0.756 5.096 4.340 0.001 0.000 0.284 408 L C 0.604 177.585 176.870 0.184 0.000 1.013 408 L CA -0.703 54.304 54.840 0.278 0.000 0.824 408 L CB 1.352 43.591 42.059 0.300 0.000 1.221 408 L HN 0.480 nan 8.230 nan 0.000 0.418 409 G N 3.614 112.497 108.800 0.139 0.000 2.354 409 G HA2 0.403 4.364 3.960 0.001 0.000 0.266 409 G HA3 0.403 4.364 3.960 0.001 0.000 0.266 409 G C 0.780 175.745 174.900 0.109 0.000 1.242 409 G CA 0.130 45.306 45.100 0.126 0.000 0.923 409 G HN 1.102 nan 8.290 nan 0.000 0.476 410 A N 2.917 125.815 122.820 0.130 0.000 1.873 410 A HA -0.013 4.307 4.320 0.001 0.000 0.215 410 A C 2.157 179.807 177.584 0.110 0.000 1.186 410 A CA 1.836 53.921 52.037 0.079 0.000 0.616 410 A CB -0.221 18.857 19.000 0.131 0.000 0.823 410 A HN 0.575 nan 8.150 nan 0.000 0.442 411 E N -0.250 120.044 120.200 0.157 0.000 2.072 411 E HA -0.093 4.258 4.350 0.001 0.000 0.191 411 E C 2.215 178.849 176.600 0.056 0.000 0.985 411 E CA 1.116 57.585 56.400 0.114 0.000 0.801 411 E CB -0.222 29.563 29.700 0.142 0.000 0.750 411 E HN 0.547 nan 8.360 nan 0.000 0.452 412 R N -0.110 120.431 120.500 0.068 0.000 2.092 412 R HA -0.088 4.252 4.340 0.001 0.000 0.231 412 R C 2.265 178.578 176.300 0.023 0.000 1.119 412 R CA 0.895 57.020 56.100 0.043 0.000 0.970 412 R CB -0.355 29.985 30.300 0.067 0.000 0.864 412 R HN 0.147 nan 8.270 nan 0.000 0.440 413 L N 0.985 122.237 121.223 0.048 0.000 2.017 413 L HA -0.122 4.218 4.340 0.001 0.000 0.208 413 L C 1.872 178.748 176.870 0.010 0.000 1.073 413 L CA 1.727 56.610 54.840 0.072 0.000 0.745 413 L CB -0.245 41.848 42.059 0.056 0.000 0.894 413 L HN 0.103 nan 8.230 nan 0.000 0.432 414 I N -0.390 120.167 120.570 -0.021 0.000 2.252 414 I HA -0.268 3.903 4.170 0.001 0.000 0.245 414 I C 2.565 178.587 176.117 -0.158 0.000 1.102 414 I CA 1.522 62.778 61.300 -0.074 0.000 1.385 414 I CB -0.474 37.493 38.000 -0.055 0.000 1.064 414 I HN 0.329 nan 8.210 nan 0.000 0.414 415 K N 0.664 120.982 120.400 -0.138 0.000 2.063 415 K HA -0.236 4.084 4.320 0.001 0.000 0.208 415 K C 2.200 178.649 176.600 -0.251 0.000 1.048 415 K CA 1.448 57.630 56.287 -0.175 0.000 0.928 415 K CB 0.022 32.456 32.500 -0.110 0.000 0.713 415 K HN 0.201 nan 8.250 nan 0.000 0.442 416 Q N 0.397 120.027 119.800 -0.284 0.000 2.123 416 Q HA -0.122 4.218 4.340 0.001 0.000 0.199 416 Q C 2.037 177.551 176.000 -0.809 0.000 0.966 416 Q CA 1.385 56.891 55.803 -0.495 0.000 0.845 416 Q CB -0.261 28.185 28.738 -0.486 0.000 0.907 416 Q HN 0.474 nan 8.270 nan 0.000 0.439 417 M N -0.030 119.170 119.600 -0.667 0.000 2.108 417 M HA -0.142 4.338 4.480 0.001 0.000 0.261 417 M C 1.225 177.324 176.300 -0.334 0.000 1.066 417 M CA 1.422 56.471 55.300 -0.418 0.000 1.107 417 M CB 0.113 32.684 32.600 -0.049 0.000 1.356 417 M HN 0.118 nan 8.290 nan 0.000 0.406 418 L N -0.566 120.357 121.223 -0.499 0.000 2.628 418 L HA 0.080 4.420 4.340 0.001 0.000 0.229 418 L C 0.260 176.566 176.870 -0.940 0.000 1.137 418 L CA -0.296 53.974 54.840 -0.949 0.000 0.909 418 L CB -0.363 41.307 42.059 -0.648 0.000 1.137 418 L HN 0.299 nan 8.230 nan 0.000 0.470 419 D N 1.318 121.423 120.400 -0.491 0.000 2.701 419 D HA -0.211 4.430 4.640 0.001 0.000 0.235 419 D C -0.095 176.073 176.300 -0.220 0.000 1.155 419 D CA 0.663 54.516 54.000 -0.245 0.000 0.649 419 D CB -0.901 39.914 40.800 0.025 0.000 1.050 419 D HN 0.198 nan 8.370 nan 0.000 0.425 420 L N 0.120 121.193 121.223 -0.251 0.000 2.397 420 L HA 0.288 4.629 4.340 0.001 0.000 0.271 420 L C -0.488 176.307 176.870 -0.125 0.000 1.148 420 L CA -1.338 53.389 54.840 -0.187 0.000 0.825 420 L CB 0.591 42.529 42.059 -0.202 0.000 1.117 420 L HN -0.026 nan 8.230 nan 0.000 0.456 421 P HA -0.082 nan 4.420 nan 0.000 0.225 421 P C -0.157 177.108 177.300 -0.059 0.000 1.156 421 P CA 0.916 63.977 63.100 -0.065 0.000 0.787 421 P CB 0.383 32.052 31.700 -0.051 0.000 0.802 422 N N -0.384 118.278 118.700 -0.064 0.000 2.336 422 N HA 0.154 4.895 4.740 0.001 0.000 0.290 422 N C 0.400 175.880 175.510 -0.049 0.000 1.058 422 N CA -0.547 52.473 53.050 -0.050 0.000 0.865 422 N CB 1.864 40.329 38.487 -0.037 0.000 1.581 422 N HN -0.221 nan 8.380 nan 0.000 0.480 423 I N 3.053 123.603 120.570 -0.034 0.000 2.567 423 I HA -0.119 4.051 4.170 0.001 0.000 0.257 423 I C 1.698 177.821 176.117 0.010 0.000 1.184 423 I CA 1.014 62.306 61.300 -0.013 0.000 1.451 423 I CB 0.231 38.239 38.000 0.014 0.000 1.089 423 I HN 0.472 nan 8.210 nan 0.000 0.441 424 R N 0.455 120.963 120.500 0.014 0.000 2.285 424 R HA -0.096 4.244 4.340 0.001 0.000 0.213 424 R C 1.616 177.936 176.300 0.033 0.000 1.068 424 R CA 0.649 56.771 56.100 0.037 0.000 1.004 424 R CB -0.122 30.197 30.300 0.033 0.000 0.873 424 R HN 0.418 nan 8.270 nan 0.000 0.467 425 E N 0.271 120.465 120.200 -0.011 0.000 2.371 425 E HA -0.068 4.283 4.350 0.001 0.000 0.194 425 E C 1.517 178.040 176.600 -0.128 0.000 1.012 425 E CA 0.967 57.341 56.400 -0.044 0.000 0.860 425 E CB 0.521 30.165 29.700 -0.094 0.000 0.811 425 E HN 0.296 nan 8.360 nan 0.000 0.502 426 V N -1.588 118.261 119.914 -0.108 0.000 3.483 426 V HA 0.408 4.529 4.120 0.001 0.000 0.301 426 V C 0.651 176.754 176.094 0.015 0.000 1.389 426 V CA -0.264 61.904 62.300 -0.220 0.000 1.101 426 V CB -0.005 31.721 31.823 -0.162 0.000 0.971 426 V HN -0.035 nan 8.190 nan 0.000 0.434 427 I N -0.042 120.660 120.570 0.219 0.000 2.569 427 I HA 0.392 4.563 4.170 0.001 0.000 0.290 427 I C 0.827 177.072 176.117 0.215 0.000 1.088 427 I CA -0.802 60.670 61.300 0.288 0.000 1.047 427 I CB 2.368 40.492 38.000 0.207 0.000 1.237 427 I HN 0.035 nan 8.210 nan 0.000 0.421 428 L N 6.205 127.420 121.223 -0.012 0.000 1.971 428 L HA -0.107 4.234 4.340 0.001 0.000 0.215 428 L C -0.046 176.375 176.870 -0.750 0.000 1.072 428 L CA 1.944 56.425 54.840 -0.600 0.000 0.758 428 L CB -0.309 41.242 42.059 -0.848 0.000 0.889 428 L HN 0.469 nan 8.230 nan 0.000 0.433 429 F N -0.566 119.414 119.950 0.051 0.000 2.451 429 F HA 0.377 4.904 4.527 0.001 0.000 0.367 429 F C -2.164 173.696 175.800 0.101 0.000 1.100 429 F CA -2.325 55.714 58.000 0.066 0.000 1.171 429 F CB 0.081 39.114 39.000 0.054 0.000 1.405 429 F HN -0.218 nan 8.300 nan 0.000 0.482 430 P HA 0.156 nan 4.420 nan 0.000 0.269 430 P C -0.364 177.045 177.300 0.182 0.000 1.209 430 P CA -0.281 62.924 63.100 0.176 0.000 0.776 430 P CB 0.701 32.476 31.700 0.126 0.000 0.876 431 R N 2.757 123.367 120.500 0.183 0.000 2.388 431 R HA 0.365 4.705 4.340 0.001 0.000 0.314 431 R C -0.373 176.039 176.300 0.186 0.000 0.959 431 R CA -0.538 55.667 56.100 0.176 0.000 0.851 431 R CB 0.957 31.367 30.300 0.183 0.000 1.168 431 R HN 0.624 nan 8.270 nan 0.000 0.472 432 D N -0.258 120.240 120.400 0.164 0.000 2.758 432 D HA 0.240 4.880 4.640 0.001 0.000 0.279 432 D C 0.940 177.332 176.300 0.153 0.000 1.111 432 D CA -0.832 53.268 54.000 0.166 0.000 1.109 432 D CB 0.688 41.567 40.800 0.132 0.000 1.428 432 D HN 0.011 nan 8.370 nan 0.000 0.586 433 R N -0.643 119.938 120.500 0.134 0.000 2.117 433 R HA -0.104 4.236 4.340 0.001 0.000 0.243 433 R C 1.535 177.888 176.300 0.089 0.000 1.143 433 R CA 2.204 58.366 56.100 0.104 0.000 0.968 433 R CB -0.233 30.111 30.300 0.074 0.000 0.863 433 R HN 0.589 nan 8.270 nan 0.000 0.444 434 R N -1.415 119.135 120.500 0.083 0.000 2.437 434 R HA 0.279 4.620 4.340 0.001 0.000 0.257 434 R C 0.124 176.468 176.300 0.073 0.000 0.927 434 R CA -0.074 56.069 56.100 0.070 0.000 1.078 434 R CB -0.128 30.207 30.300 0.059 0.000 1.161 434 R HN -0.072 nan 8.270 nan 0.000 0.529 435 R N 0.985 121.538 120.500 0.088 0.000 2.288 435 R HA 0.376 4.716 4.340 0.001 0.000 0.326 435 R C -0.321 176.036 176.300 0.095 0.000 0.959 435 R CA -0.385 55.769 56.100 0.090 0.000 0.834 435 R CB 0.762 31.121 30.300 0.098 0.000 1.157 435 R HN 0.314 nan 8.270 nan 0.000 0.470 436 L N 2.483 123.753 121.223 0.078 0.000 2.766 436 L HA 0.243 4.584 4.340 0.001 0.000 0.241 436 L C -0.131 176.772 176.870 0.054 0.000 1.080 436 L CA 0.526 55.403 54.840 0.062 0.000 0.909 436 L CB 1.006 43.092 42.059 0.043 0.000 1.277 436 L HN 0.754 nan 8.230 nan 0.000 0.510 437 T N -2.366 112.223 114.554 0.059 0.000 2.907 437 T HA 0.621 4.971 4.350 0.001 0.000 0.292 437 T C -2.462 172.291 174.700 0.087 0.000 1.043 437 T CA -1.468 60.663 62.100 0.051 0.000 1.003 437 T CB 1.596 70.482 68.868 0.030 0.000 1.084 437 T HN -0.177 nan 8.240 nan 0.000 0.483 438 P HA 0.000 nan 4.420 nan 0.000 0.216 438 P CA 0.000 63.125 63.100 0.042 0.000 0.800 438 P CB 0.000 31.760 31.700 0.100 0.000 0.726