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 3oce_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTRREQDSLG ERDIPMDAYF GIQTLRAVEN FSLSDVALNH IPALVRALAM DATA SEQUENCE VKKAAATANY KLRQLPEPKY AAIVAACDDI IDGLLMEQFV VDVFQGGAGT DATA SEQUENCE SSNMNANEVI ANRALEHLGR PRGDYQTIHP NDDVNMSQST NDVYPTAVRL DATA SEQUENCE ALLLSQNQVQ TALHRLIAAF EAKGREFATV IKIGRTQLQD AVPITLGQEF DATA SEQUENCE EAFAATLRED TARLEEVAAL FREVNLGGTA IGTRINASHA YAEQAIVELS DATA SEQUENCE QISGIELKAT GNLVEASWDT GAFVTFSGIL RRIAVKLSKI ANDLRLLSSG DATA SEQUENCE PRSGLGEIRL PAVQPGSSIM PGKVNPVIPE SVNQVCYQVI GNDLTVTMAA DATA SEQUENCE ESGQLQLNAF EPLIVYNILS SMRLLGRAMT NLAERCVDGI EANVERCRAG DATA SEQUENCE AEESISLATA LVPVVGYARA AEIAKQALAS GQTVMEVAIS KGLDASALTI DATA SEQUENCE MLDPLRMAFP 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 0.000 176.272 176.300 -0.047 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 T N -0.585 113.940 114.554 -0.048 0.000 2.883 2 T HA 0.984 5.343 4.350 0.015 0.000 0.296 2 T C -0.382 174.280 174.700 -0.063 0.000 1.117 2 T CA -0.423 61.644 62.100 -0.055 0.000 1.006 2 T CB 1.857 70.703 68.868 -0.037 0.000 1.191 2 T HN 1.924 nan 8.240 nan 0.000 0.508 3 R N 0.062 120.518 120.500 -0.074 0.000 2.832 3 R HA 0.815 5.164 4.340 0.015 0.000 0.271 3 R C -0.877 175.390 176.300 -0.055 0.000 0.996 3 R CA -1.216 54.838 56.100 -0.077 0.000 0.977 3 R CB 1.389 31.622 30.300 -0.112 0.000 1.168 3 R HN 0.572 nan 8.270 nan 0.000 0.482 4 R N 1.463 121.935 120.500 -0.048 0.000 2.246 4 R HA 0.244 4.593 4.340 0.015 0.000 0.332 4 R C -1.058 175.235 176.300 -0.013 0.000 0.974 4 R CA -0.121 55.965 56.100 -0.024 0.000 0.837 4 R CB 0.914 31.202 30.300 -0.020 0.000 1.145 4 R HN 0.772 nan 8.270 nan 0.000 0.467 5 E N 2.137 122.347 120.200 0.015 0.000 2.232 5 E HA 0.290 4.649 4.350 0.015 0.000 0.264 5 E C -0.967 175.671 176.600 0.064 0.000 0.973 5 E CA -1.054 55.382 56.400 0.060 0.000 0.849 5 E CB 2.147 31.920 29.700 0.122 0.000 1.198 5 E HN 0.425 nan 8.360 nan 0.000 0.407 6 Q N 1.873 121.725 119.800 0.087 0.000 2.323 6 Q HA 0.200 4.549 4.340 0.015 0.000 0.271 6 Q C -1.671 174.371 176.000 0.070 0.000 1.048 6 Q CA -0.577 55.266 55.803 0.067 0.000 0.792 6 Q CB 1.614 30.390 28.738 0.063 0.000 1.280 6 Q HN 0.604 nan 8.270 nan 0.000 0.441 7 D N 0.142 120.571 120.400 0.048 0.000 2.654 7 D HA 0.162 4.811 4.640 0.015 0.000 0.255 7 D C 0.768 177.088 176.300 0.033 0.000 1.101 7 D CA -0.426 53.597 54.000 0.039 0.000 1.116 7 D CB 0.357 41.171 40.800 0.024 0.000 1.348 7 D HN 0.368 nan 8.370 nan 0.000 0.609 8 S N -1.022 114.695 115.700 0.029 0.000 2.402 8 S HA -0.168 4.311 4.470 0.015 0.000 0.233 8 S C 1.568 176.178 174.600 0.017 0.000 1.030 8 S CA 1.121 59.335 58.200 0.023 0.000 1.003 8 S CB -0.646 62.566 63.200 0.020 0.000 0.813 8 S HN 0.475 nan 8.310 nan 0.000 0.477 9 L N 0.440 121.671 121.223 0.013 0.000 2.558 9 L HA 0.383 4.732 4.340 0.015 0.000 0.225 9 L C 1.458 178.334 176.870 0.009 0.000 1.128 9 L CA 0.207 55.052 54.840 0.008 0.000 0.868 9 L CB -0.401 41.659 42.059 0.002 0.000 1.006 9 L HN 0.644 nan 8.230 nan 0.000 0.454 10 G N -0.033 108.776 108.800 0.015 0.000 2.280 10 G HA2 -0.090 3.879 3.960 0.015 0.000 0.277 10 G HA3 -0.090 3.879 3.960 0.015 0.000 0.277 10 G C -1.144 173.768 174.900 0.020 0.000 1.288 10 G CA -0.839 44.270 45.100 0.016 0.000 1.075 10 G HN 0.058 nan 8.290 nan 0.000 0.480 11 E N 0.351 120.561 120.200 0.016 0.000 2.248 11 E HA 0.748 5.107 4.350 0.015 0.000 0.272 11 E C -0.236 176.373 176.600 0.015 0.000 1.008 11 E CA -0.735 55.676 56.400 0.018 0.000 0.856 11 E CB 1.418 31.127 29.700 0.014 0.000 1.120 11 E HN 0.417 nan 8.360 nan 0.000 0.397 12 R N 1.381 121.892 120.500 0.019 0.000 2.643 12 R HA 0.273 4.622 4.340 0.015 0.000 0.269 12 R C -1.538 174.771 176.300 0.015 0.000 1.037 12 R CA -0.807 55.304 56.100 0.018 0.000 0.894 12 R CB 1.445 31.760 30.300 0.025 0.000 1.238 12 R HN 0.519 nan 8.270 nan 0.000 0.459 13 D N 2.216 122.622 120.400 0.010 0.000 2.280 13 D HA 0.355 5.004 4.640 0.015 0.000 0.243 13 D C -0.085 176.218 176.300 0.006 0.000 1.129 13 D CA -0.207 53.793 54.000 0.001 0.000 0.848 13 D CB 1.335 42.132 40.800 -0.005 0.000 1.107 13 D HN 0.196 nan 8.370 nan 0.000 0.471 14 I N 4.028 124.591 120.570 -0.012 0.000 2.404 14 I HA 0.232 4.411 4.170 0.015 0.000 0.293 14 I C -2.231 173.840 176.117 -0.076 0.000 0.992 14 I CA -2.326 58.958 61.300 -0.026 0.000 1.149 14 I CB 1.673 39.649 38.000 -0.040 0.000 1.315 14 I HN 0.016 nan 8.210 nan 0.000 0.446 15 P HA 0.044 nan 4.420 nan 0.000 0.262 15 P C 0.889 178.088 177.300 -0.167 0.000 1.182 15 P CA -0.022 63.016 63.100 -0.104 0.000 0.761 15 P CB 0.393 32.042 31.700 -0.085 0.000 0.795 16 M N 3.040 122.558 119.600 -0.136 0.000 2.110 16 M HA -0.215 4.274 4.480 0.015 0.000 0.257 16 M C 1.420 177.588 176.300 -0.220 0.000 1.071 16 M CA 2.201 57.406 55.300 -0.158 0.000 1.096 16 M CB -1.312 31.217 32.600 -0.119 0.000 1.300 16 M HN 0.472 nan 8.290 nan 0.000 0.411 17 D N -0.187 120.095 120.400 -0.197 0.000 2.309 17 D HA -0.032 4.617 4.640 0.015 0.000 0.212 17 D C 0.611 176.715 176.300 -0.327 0.000 0.968 17 D CA 0.636 54.504 54.000 -0.219 0.000 0.882 17 D CB -0.706 40.025 40.800 -0.114 0.000 0.918 17 D HN 0.264 nan 8.370 nan 0.000 0.503 18 A N -0.167 122.412 122.820 -0.403 0.000 2.409 18 A HA 0.234 4.563 4.320 0.015 0.000 0.267 18 A C 0.102 177.340 177.584 -0.577 0.000 1.127 18 A CA -0.474 51.195 52.037 -0.614 0.000 0.795 18 A CB -0.017 18.283 19.000 -1.166 0.000 1.061 18 A HN 0.108 nan 8.150 nan 0.000 0.502 19 Y N 2.072 122.162 120.300 -0.350 0.000 2.457 19 Y HA 0.044 4.602 4.550 0.015 0.000 0.292 19 Y C 0.878 176.699 175.900 -0.132 0.000 1.125 19 Y CA 0.680 58.673 58.100 -0.178 0.000 1.254 19 Y CB -0.302 38.109 38.460 -0.082 0.000 1.012 19 Y HN 0.757 nan 8.280 nan 0.000 0.555 20 F N -0.390 119.589 119.950 0.048 0.000 2.378 20 F HA 0.683 5.220 4.527 0.016 0.000 0.319 20 F C 0.697 176.513 175.800 0.026 0.000 1.155 20 F CA -1.314 56.681 58.000 -0.010 0.000 1.157 20 F CB 0.104 39.065 39.000 -0.064 0.000 1.252 20 F HN -0.136 nan 8.300 nan 0.000 0.550 21 G N 0.732 109.700 108.800 0.281 0.000 2.887 21 G HA2 0.364 4.333 3.960 0.015 0.000 0.277 21 G HA3 0.364 4.333 3.960 0.015 0.000 0.277 21 G C 0.311 175.335 174.900 0.206 0.000 1.346 21 G CA -0.703 44.516 45.100 0.198 0.000 1.058 21 G HN 1.036 nan 8.290 nan 0.000 0.535 22 I N -0.456 120.194 120.570 0.135 0.000 2.315 22 I HA -0.234 3.945 4.170 0.015 0.000 0.251 22 I C 2.575 178.731 176.117 0.066 0.000 1.125 22 I CA 1.560 62.918 61.300 0.097 0.000 1.392 22 I CB 0.022 38.066 38.000 0.074 0.000 1.065 22 I HN 0.557 nan 8.210 nan 0.000 0.424 23 Q N -0.411 119.415 119.800 0.043 0.000 2.083 23 Q HA -0.151 4.197 4.340 0.015 0.000 0.198 23 Q C 2.088 178.103 176.000 0.025 0.000 0.969 23 Q CA 2.036 57.851 55.803 0.020 0.000 0.838 23 Q CB -0.219 28.517 28.738 -0.003 0.000 0.900 23 Q HN 0.480 nan 8.270 nan 0.000 0.436 24 T N 1.889 116.469 114.554 0.044 0.000 2.746 24 T HA -0.133 4.226 4.350 0.015 0.000 0.267 24 T C 1.845 176.509 174.700 -0.059 0.000 1.039 24 T CA 0.901 62.994 62.100 -0.013 0.000 1.142 24 T CB -0.261 68.592 68.868 -0.024 0.000 0.866 24 T HN 0.110 nan 8.240 nan 0.000 0.444 25 L N 1.129 122.383 121.223 0.052 0.000 2.042 25 L HA -0.085 4.264 4.340 0.015 0.000 0.210 25 L C 2.554 179.413 176.870 -0.019 0.000 1.076 25 L CA 1.742 56.612 54.840 0.050 0.000 0.749 25 L CB -0.309 41.850 42.059 0.166 0.000 0.893 25 L HN 0.086 nan 8.230 nan 0.000 0.432 26 R N -0.738 119.750 120.500 -0.020 0.000 2.073 26 R HA -0.126 4.223 4.340 0.015 0.000 0.234 26 R C 2.228 178.445 176.300 -0.138 0.000 1.134 26 R CA 1.344 57.403 56.100 -0.068 0.000 0.952 26 R CB -0.704 29.565 30.300 -0.052 0.000 0.850 26 R HN 0.527 nan 8.270 nan 0.000 0.433 27 A N 0.635 123.399 122.820 -0.093 0.000 2.019 27 A HA -0.087 4.242 4.320 0.015 0.000 0.219 27 A C 2.290 179.832 177.584 -0.069 0.000 1.164 27 A CA 1.125 53.115 52.037 -0.079 0.000 0.644 27 A CB -0.308 18.773 19.000 0.136 0.000 0.805 27 A HN 0.119 nan 8.150 nan 0.000 0.449 28 V N -0.271 119.594 119.914 -0.080 0.000 2.515 28 V HA -0.226 3.902 4.120 0.015 0.000 0.250 28 V C 2.345 178.387 176.094 -0.086 0.000 1.058 28 V CA 2.206 64.461 62.300 -0.075 0.000 1.064 28 V CB -0.619 31.124 31.823 -0.133 0.000 0.675 28 V HN 0.639 nan 8.190 nan 0.000 0.461 29 E N -0.005 120.119 120.200 -0.126 0.000 2.112 29 E HA -0.127 4.231 4.350 0.015 0.000 0.190 29 E C 2.067 178.539 176.600 -0.213 0.000 0.979 29 E CA 0.853 57.175 56.400 -0.130 0.000 0.814 29 E CB -0.082 29.550 29.700 -0.112 0.000 0.762 29 E HN 0.537 nan 8.360 nan 0.000 0.460 30 N N -0.054 118.395 118.700 -0.419 0.000 2.244 30 N HA -0.090 4.659 4.740 0.015 0.000 0.183 30 N C 0.121 175.237 175.510 -0.658 0.000 1.016 30 N CA 0.937 53.561 53.050 -0.711 0.000 0.866 30 N CB 0.157 37.859 38.487 -1.307 0.000 0.980 30 N HN 0.092 nan 8.380 nan 0.000 0.430 31 F N -0.403 119.540 119.950 -0.012 0.000 2.818 31 F HA 0.317 4.854 4.527 0.017 0.000 0.369 31 F C 0.469 176.264 175.800 -0.008 0.000 1.327 31 F CA -1.009 56.989 58.000 -0.003 0.000 1.211 31 F CB -0.057 38.948 39.000 0.007 0.000 1.036 31 F HN -0.324 nan 8.300 nan 0.000 0.510 32 S N 1.480 117.229 115.700 0.082 0.000 2.701 32 S HA 0.478 4.957 4.470 0.015 0.000 0.317 32 S C 0.875 175.491 174.600 0.027 0.000 1.149 32 S CA 0.031 58.257 58.200 0.042 0.000 1.052 32 S CB -0.105 63.096 63.200 0.002 0.000 1.257 32 S HN 0.523 nan 8.310 nan 0.000 0.532 33 L N 3.153 124.389 121.223 0.022 0.000 2.746 33 L HA 0.188 4.537 4.340 0.015 0.000 0.230 33 L C 1.967 178.762 176.870 -0.126 0.000 1.034 33 L CA 0.338 55.149 54.840 -0.049 0.000 0.922 33 L CB -0.102 41.927 42.059 -0.050 0.000 1.496 33 L HN 0.651 nan 8.230 nan 0.000 0.498 34 S N -3.146 112.504 115.700 -0.084 0.000 2.554 34 S HA 0.097 4.575 4.470 0.015 0.000 0.227 34 S C 0.633 175.205 174.600 -0.045 0.000 1.050 34 S CA 0.458 58.595 58.200 -0.104 0.000 0.927 34 S CB 0.768 63.946 63.200 -0.037 0.000 0.859 34 S HN 0.266 nan 8.310 nan 0.000 0.494 35 D N 0.015 120.400 120.400 -0.025 0.000 2.946 35 D HA -0.114 4.535 4.640 0.015 0.000 0.202 35 D C -0.680 175.568 176.300 -0.085 0.000 1.068 35 D CA 1.063 55.046 54.000 -0.028 0.000 1.011 35 D CB -1.569 39.218 40.800 -0.022 0.000 1.105 35 D HN 0.449 nan 8.370 nan 0.000 0.425 36 V N 0.476 120.315 119.914 -0.125 0.000 2.318 36 V HA 0.716 4.844 4.120 0.015 0.000 0.271 36 V C 0.969 176.989 176.094 -0.122 0.000 1.030 36 V CA -0.160 61.955 62.300 -0.308 0.000 0.844 36 V CB 1.107 32.759 31.823 -0.285 0.000 1.015 36 V HN 0.304 nan 8.190 nan 0.000 0.460 37 A N 3.807 126.656 122.820 0.048 0.000 2.272 37 A HA 0.575 4.904 4.320 0.015 0.000 0.275 37 A C 1.160 178.840 177.584 0.160 0.000 1.096 37 A CA -0.471 51.641 52.037 0.125 0.000 0.822 37 A CB 0.321 19.416 19.000 0.158 0.000 1.088 37 A HN 0.722 nan 8.150 nan 0.000 0.495 38 L N 0.846 122.145 121.223 0.125 0.000 2.051 38 L HA -0.274 4.074 4.340 0.015 0.000 0.214 38 L C 2.249 179.201 176.870 0.136 0.000 1.076 38 L CA 2.816 57.734 54.840 0.129 0.000 0.758 38 L CB -0.973 41.190 42.059 0.173 0.000 0.890 38 L HN 0.965 nan 8.230 nan 0.000 0.433 39 N N -2.240 116.559 118.700 0.166 0.000 2.503 39 N HA -0.247 4.502 4.740 0.015 0.000 0.189 39 N C 1.582 177.101 175.510 0.015 0.000 1.048 39 N CA 1.677 54.781 53.050 0.089 0.000 0.905 39 N CB -0.881 37.667 38.487 0.100 0.000 0.951 39 N HN 0.562 nan 8.380 nan 0.000 0.446 40 H N -0.205 118.902 119.070 0.061 0.000 2.535 40 H HA 0.155 4.720 4.556 0.015 0.000 0.273 40 H C 0.417 175.790 175.328 0.075 0.000 0.983 40 H CA 0.834 56.928 56.048 0.076 0.000 1.238 40 H CB 0.499 30.326 29.762 0.109 0.000 1.412 40 H HN 0.445 nan 8.280 nan 0.000 0.562 41 I N -0.801 119.861 120.570 0.152 0.000 2.934 41 I HA 0.250 4.429 4.170 0.015 0.000 0.312 41 I C -2.210 173.904 176.117 -0.004 0.000 1.342 41 I CA -1.998 59.352 61.300 0.083 0.000 0.946 41 I CB 1.260 39.330 38.000 0.117 0.000 2.034 41 I HN -0.252 nan 8.210 nan 0.000 0.604 42 P HA -0.201 nan 4.420 nan 0.000 0.218 42 P C 1.663 178.899 177.300 -0.106 0.000 1.148 42 P CA 1.710 64.758 63.100 -0.086 0.000 0.822 42 P CB 0.366 32.024 31.700 -0.069 0.000 0.784 43 A N -0.235 122.538 122.820 -0.078 0.000 2.019 43 A HA -0.156 4.173 4.320 0.015 0.000 0.219 43 A C 2.145 179.659 177.584 -0.117 0.000 1.164 43 A CA 1.414 53.398 52.037 -0.088 0.000 0.644 43 A CB -1.422 17.536 19.000 -0.069 0.000 0.805 43 A HN 0.223 nan 8.150 nan 0.000 0.449 44 L N -0.630 120.521 121.223 -0.120 0.000 2.209 44 L HA 0.023 4.372 4.340 0.015 0.000 0.207 44 L C 2.228 178.996 176.870 -0.170 0.000 1.094 44 L CA 1.430 56.183 54.840 -0.146 0.000 0.790 44 L CB -0.372 41.612 42.059 -0.125 0.000 0.932 44 L HN 0.099 nan 8.230 nan 0.000 0.447 45 V N 0.336 120.117 119.914 -0.222 0.000 2.261 45 V HA -0.279 3.850 4.120 0.015 0.000 0.246 45 V C 2.732 178.640 176.094 -0.310 0.000 1.047 45 V CA 2.184 64.243 62.300 -0.402 0.000 1.015 45 V CB -0.722 30.723 31.823 -0.631 0.000 0.642 45 V HN 0.446 nan 8.190 nan 0.000 0.446 46 R N 0.241 120.605 120.500 -0.226 0.000 2.096 46 R HA -0.207 4.141 4.340 0.015 0.000 0.240 46 R C 2.442 178.669 176.300 -0.120 0.000 1.139 46 R CA 1.686 57.694 56.100 -0.153 0.000 0.952 46 R CB -0.771 29.460 30.300 -0.114 0.000 0.854 46 R HN 0.552 nan 8.270 nan 0.000 0.436 47 A N 1.307 124.054 122.820 -0.123 0.000 1.902 47 A HA -0.140 4.188 4.320 0.015 0.000 0.217 47 A C 2.238 179.768 177.584 -0.090 0.000 1.181 47 A CA 1.188 53.161 52.037 -0.107 0.000 0.623 47 A CB -0.586 18.335 19.000 -0.132 0.000 0.818 47 A HN 0.199 nan 8.150 nan 0.000 0.443 48 L N -0.877 120.287 121.223 -0.099 0.000 2.079 48 L HA -0.232 4.117 4.340 0.015 0.000 0.210 48 L C 3.045 179.909 176.870 -0.011 0.000 1.081 48 L CA 1.072 55.887 54.840 -0.042 0.000 0.752 48 L CB -0.396 41.655 42.059 -0.014 0.000 0.896 48 L HN 0.472 nan 8.230 nan 0.000 0.433 49 A N -0.525 122.271 122.820 -0.040 0.000 1.897 49 A HA -0.179 4.150 4.320 0.015 0.000 0.215 49 A C 2.287 179.869 177.584 -0.004 0.000 1.181 49 A CA 1.243 53.276 52.037 -0.006 0.000 0.620 49 A CB -0.380 18.603 19.000 -0.029 0.000 0.821 49 A HN 0.306 nan 8.150 nan 0.000 0.443 50 M N -0.463 119.121 119.600 -0.025 0.000 2.144 50 M HA -0.162 4.327 4.480 0.015 0.000 0.260 50 M C 2.044 178.342 176.300 -0.002 0.000 1.067 50 M CA 1.460 56.749 55.300 -0.019 0.000 1.095 50 M CB -0.536 32.044 32.600 -0.034 0.000 1.365 50 M HN 0.273 nan 8.290 nan 0.000 0.406 51 V N 0.004 119.919 119.914 0.001 0.000 2.407 51 V HA -0.182 3.947 4.120 0.015 0.000 0.245 51 V C 2.352 178.477 176.094 0.051 0.000 1.041 51 V CA 1.340 63.651 62.300 0.019 0.000 1.040 51 V CB -0.592 31.241 31.823 0.016 0.000 0.671 51 V HN 0.349 nan 8.190 nan 0.000 0.455 52 K N 0.260 120.694 120.400 0.057 0.000 2.097 52 K HA -0.136 4.193 4.320 0.015 0.000 0.206 52 K C 2.124 178.773 176.600 0.081 0.000 1.049 52 K CA 0.980 57.315 56.287 0.080 0.000 0.933 52 K CB -0.370 32.179 32.500 0.081 0.000 0.717 52 K HN 0.268 nan 8.250 nan 0.000 0.442 53 K N 0.986 121.419 120.400 0.055 0.000 2.026 53 K HA -0.059 4.270 4.320 0.015 0.000 0.208 53 K C 2.030 178.682 176.600 0.086 0.000 1.048 53 K CA 1.339 57.658 56.287 0.054 0.000 0.929 53 K CB -0.087 32.426 32.500 0.021 0.000 0.713 53 K HN 0.084 nan 8.250 nan 0.000 0.439 54 A N 0.959 123.815 122.820 0.060 0.000 1.873 54 A HA -0.065 4.264 4.320 0.015 0.000 0.215 54 A C 2.378 179.997 177.584 0.059 0.000 1.186 54 A CA 2.040 54.104 52.037 0.044 0.000 0.616 54 A CB -0.756 18.244 19.000 0.001 0.000 0.823 54 A HN 0.381 nan 8.150 nan 0.000 0.442 55 A N 0.026 122.903 122.820 0.095 0.000 1.892 55 A HA 0.050 4.379 4.320 0.015 0.000 0.218 55 A C 2.532 180.267 177.584 0.252 0.000 1.188 55 A CA 2.537 54.697 52.037 0.205 0.000 0.631 55 A CB -1.153 18.001 19.000 0.258 0.000 0.822 55 A HN 1.124 nan 8.150 nan 0.000 0.447 56 A N -1.170 121.779 122.820 0.216 0.000 1.877 56 A HA -0.108 4.221 4.320 0.015 0.000 0.216 56 A C 2.329 180.112 177.584 0.332 0.000 1.186 56 A CA 2.409 54.606 52.037 0.266 0.000 0.620 56 A CB -1.409 17.735 19.000 0.241 0.000 0.822 56 A HN 0.451 nan 8.150 nan 0.000 0.443 57 T N 0.354 115.099 114.554 0.319 0.000 2.720 57 T HA -0.065 4.294 4.350 0.015 0.000 0.268 57 T C 2.168 176.931 174.700 0.105 0.000 1.037 57 T CA 1.750 64.009 62.100 0.265 0.000 1.144 57 T CB -0.455 68.557 68.868 0.240 0.000 0.864 57 T HN 0.608 nan 8.240 nan 0.000 0.444 58 A N 1.949 124.821 122.820 0.086 0.000 1.969 58 A HA -0.086 4.243 4.320 0.015 0.000 0.218 58 A C 2.252 179.920 177.584 0.139 0.000 1.169 58 A CA 1.153 53.208 52.037 0.030 0.000 0.635 58 A CB -0.445 18.462 19.000 -0.155 0.000 0.810 58 A HN 0.359 nan 8.150 nan 0.000 0.445 59 N N -1.413 117.426 118.700 0.233 0.000 2.270 59 N HA -0.131 4.618 4.740 0.015 0.000 0.181 59 N C 1.534 177.112 175.510 0.113 0.000 1.016 59 N CA 1.464 54.634 53.050 0.200 0.000 0.870 59 N CB -0.472 38.138 38.487 0.203 0.000 0.979 59 N HN 0.664 nan 8.380 nan 0.000 0.431 60 Y N 2.108 122.369 120.300 -0.064 0.000 2.242 60 Y HA -0.023 4.535 4.550 0.014 0.000 0.291 60 Y C 1.836 177.620 175.900 -0.193 0.000 1.137 60 Y CA 1.454 59.426 58.100 -0.215 0.000 1.181 60 Y CB -0.038 38.019 38.460 -0.672 0.000 0.989 60 Y HN -0.103 nan 8.280 nan 0.000 0.527 61 K N -0.045 120.153 120.400 -0.337 0.000 2.365 61 K HA 0.001 4.330 4.320 0.015 0.000 0.199 61 K C 1.201 177.662 176.600 -0.232 0.000 1.045 61 K CA 0.974 57.048 56.287 -0.355 0.000 0.962 61 K CB -0.037 32.348 32.500 -0.192 0.000 0.759 61 K HN 0.360 nan 8.250 nan 0.000 0.469 62 L N 0.426 121.569 121.223 -0.134 0.000 2.769 62 L HA 0.200 4.549 4.340 0.015 0.000 0.240 62 L C -0.267 176.559 176.870 -0.072 0.000 1.163 62 L CA -0.154 54.643 54.840 -0.072 0.000 0.962 62 L CB 0.059 42.124 42.059 0.010 0.000 1.258 62 L HN 0.086 nan 8.230 nan 0.000 0.513 63 R N -0.627 119.798 120.500 -0.126 0.000 3.641 63 R HA -0.254 4.095 4.340 0.015 0.000 0.286 63 R C 0.978 177.270 176.300 -0.014 0.000 1.153 63 R CA 0.639 56.686 56.100 -0.088 0.000 0.775 63 R CB -2.137 28.110 30.300 -0.088 0.000 1.215 63 R HN 0.475 nan 8.270 nan 0.000 0.474 64 Q N -0.295 119.513 119.800 0.013 0.000 2.376 64 Q HA 0.173 4.522 4.340 0.015 0.000 0.206 64 Q C 0.103 176.141 176.000 0.064 0.000 0.921 64 Q CA 0.441 56.262 55.803 0.030 0.000 0.911 64 Q CB 0.449 29.201 28.738 0.024 0.000 1.032 64 Q HN 0.256 nan 8.270 nan 0.000 0.510 65 L N 1.949 123.237 121.223 0.108 0.000 2.356 65 L HA 0.460 4.808 4.340 0.015 0.000 0.277 65 L C -2.642 174.361 176.870 0.221 0.000 0.996 65 L CA -2.423 52.511 54.840 0.158 0.000 0.822 65 L CB 1.438 43.614 42.059 0.196 0.000 1.256 65 L HN -0.166 nan 8.230 nan 0.000 0.413 66 P HA 0.103 nan 4.420 nan 0.000 0.274 66 P C 0.121 177.549 177.300 0.213 0.000 1.231 66 P CA -0.212 63.004 63.100 0.194 0.000 0.790 66 P CB 0.940 32.713 31.700 0.122 0.000 0.951 67 E N 2.048 122.381 120.200 0.222 0.000 2.049 67 E HA -0.179 4.180 4.350 0.015 0.000 0.198 67 E C -0.924 175.694 176.600 0.031 0.000 1.007 67 E CA 2.294 58.733 56.400 0.066 0.000 0.809 67 E CB -1.798 27.984 29.700 0.136 0.000 0.749 67 E HN 0.335 nan 8.360 nan 0.000 0.450 68 P HA -0.134 nan 4.420 nan 0.000 0.216 68 P C 1.167 178.475 177.300 0.014 0.000 1.150 68 P CA 1.672 64.786 63.100 0.023 0.000 0.837 68 P CB -0.097 31.625 31.700 0.038 0.000 0.786 69 K N -1.487 118.943 120.400 0.051 0.000 2.025 69 K HA -0.181 4.148 4.320 0.015 0.000 0.207 69 K C 2.302 178.925 176.600 0.040 0.000 1.049 69 K CA 1.372 57.693 56.287 0.058 0.000 0.933 69 K CB -0.931 31.625 32.500 0.093 0.000 0.714 69 K HN 0.139 nan 8.250 nan 0.000 0.438 70 Y N 1.947 122.202 120.300 -0.074 0.000 2.114 70 Y HA -0.305 4.253 4.550 0.014 0.000 0.282 70 Y C 2.198 177.998 175.900 -0.165 0.000 1.165 70 Y CA 1.585 59.599 58.100 -0.142 0.000 1.148 70 Y CB -0.559 37.687 38.460 -0.357 0.000 0.972 70 Y HN 0.047 nan 8.280 nan 0.000 0.504 71 A N 0.369 122.928 122.820 -0.436 0.000 1.969 71 A HA 0.001 4.330 4.320 0.015 0.000 0.218 71 A C 2.384 179.756 177.584 -0.353 0.000 1.169 71 A CA 1.734 53.473 52.037 -0.497 0.000 0.635 71 A CB -1.350 17.501 19.000 -0.248 0.000 0.810 71 A HN 0.665 nan 8.150 nan 0.000 0.445 72 A N -0.253 122.442 122.820 -0.209 0.000 1.898 72 A HA 0.104 4.433 4.320 0.015 0.000 0.214 72 A C 2.051 179.558 177.584 -0.129 0.000 1.183 72 A CA 1.139 53.096 52.037 -0.133 0.000 0.622 72 A CB -0.478 18.507 19.000 -0.026 0.000 0.824 72 A HN 0.427 nan 8.150 nan 0.000 0.444 73 I N -0.426 120.080 120.570 -0.107 0.000 2.179 73 I HA -0.217 3.962 4.170 0.015 0.000 0.242 73 I C 2.367 178.412 176.117 -0.119 0.000 1.088 73 I CA 1.090 62.354 61.300 -0.059 0.000 1.357 73 I CB -0.251 37.753 38.000 0.007 0.000 1.051 73 I HN 0.144 nan 8.210 nan 0.000 0.409 74 V N 0.897 120.664 119.914 -0.246 0.000 2.295 74 V HA -0.322 3.807 4.120 0.015 0.000 0.246 74 V C 2.727 178.686 176.094 -0.225 0.000 1.049 74 V CA 2.020 64.166 62.300 -0.256 0.000 1.024 74 V CB -1.032 30.520 31.823 -0.452 0.000 0.648 74 V HN 0.513 nan 8.190 nan 0.000 0.447 75 A N 0.022 122.657 122.820 -0.307 0.000 1.892 75 A HA -0.247 4.081 4.320 0.015 0.000 0.218 75 A C 2.421 179.853 177.584 -0.252 0.000 1.188 75 A CA 2.585 54.390 52.037 -0.386 0.000 0.631 75 A CB -0.904 17.646 19.000 -0.748 0.000 0.822 75 A HN 0.616 nan 8.150 nan 0.000 0.447 76 A N -1.030 121.700 122.820 -0.149 0.000 1.902 76 A HA -0.156 4.173 4.320 0.015 0.000 0.217 76 A C 2.331 179.910 177.584 -0.009 0.000 1.181 76 A CA 1.688 53.715 52.037 -0.016 0.000 0.623 76 A CB -1.325 17.696 19.000 0.036 0.000 0.818 76 A HN 0.657 nan 8.150 nan 0.000 0.443 77 C N -0.288 118.998 119.300 -0.024 0.000 2.413 77 C HA -0.107 4.362 4.460 0.015 0.000 0.276 77 C C 2.341 177.317 174.990 -0.023 0.000 1.248 77 C CA 0.972 59.987 59.018 -0.006 0.000 1.742 77 C CB -1.276 26.459 27.740 -0.008 0.000 2.017 77 C HN 0.591 nan 8.230 nan 0.000 0.481 78 D N 1.097 121.467 120.400 -0.050 0.000 2.123 78 D HA -0.118 4.531 4.640 0.015 0.000 0.196 78 D C 1.644 177.929 176.300 -0.026 0.000 0.992 78 D CA 1.428 55.400 54.000 -0.047 0.000 0.833 78 D CB -0.592 40.165 40.800 -0.071 0.000 0.954 78 D HN 0.482 nan 8.370 nan 0.000 0.455 79 D N 0.141 120.533 120.400 -0.013 0.000 2.123 79 D HA -0.100 4.549 4.640 0.015 0.000 0.196 79 D C 2.290 178.590 176.300 0.001 0.000 0.992 79 D CA 0.444 54.449 54.000 0.008 0.000 0.833 79 D CB -0.283 40.535 40.800 0.031 0.000 0.954 79 D HN 0.302 nan 8.370 nan 0.000 0.455 80 I N 0.594 121.168 120.570 0.007 0.000 2.202 80 I HA -0.203 3.976 4.170 0.015 0.000 0.242 80 I C 2.338 178.434 176.117 -0.034 0.000 1.091 80 I CA 0.727 62.032 61.300 0.007 0.000 1.368 80 I CB -0.160 37.866 38.000 0.044 0.000 1.058 80 I HN -0.054 nan 8.210 nan 0.000 0.410 81 I N 0.699 121.249 120.570 -0.035 0.000 2.361 81 I HA -0.268 3.911 4.170 0.015 0.000 0.251 81 I C 1.203 177.298 176.117 -0.037 0.000 1.133 81 I CA 1.229 62.503 61.300 -0.044 0.000 1.413 81 I CB -0.441 37.537 38.000 -0.037 0.000 1.073 81 I HN 0.215 nan 8.210 nan 0.000 0.424 82 D N 0.719 121.104 120.400 -0.026 0.000 2.324 82 D HA 0.098 4.746 4.640 0.015 0.000 0.235 82 D C 1.615 177.905 176.300 -0.018 0.000 1.095 82 D CA 0.863 54.852 54.000 -0.019 0.000 0.871 82 D CB 0.308 41.101 40.800 -0.011 0.000 0.906 82 D HN 0.451 nan 8.370 nan 0.000 0.522 83 G N 0.054 108.840 108.800 -0.024 0.000 2.176 83 G HA2 -0.292 3.677 3.960 0.015 0.000 0.253 83 G HA3 -0.292 3.677 3.960 0.015 0.000 0.253 83 G C 0.250 175.146 174.900 -0.005 0.000 0.979 83 G CA -0.075 45.013 45.100 -0.020 0.000 0.641 83 G HN 0.271 nan 8.290 nan 0.000 0.530 84 L N 0.200 121.422 121.223 -0.002 0.000 2.464 84 L HA 0.630 4.979 4.340 0.015 0.000 0.264 84 L C 1.901 178.782 176.870 0.018 0.000 1.199 84 L CA 0.763 55.603 54.840 0.001 0.000 0.818 84 L CB 0.676 42.729 42.059 -0.010 0.000 1.102 84 L HN 0.386 nan 8.230 nan 0.000 0.473 85 L N -0.228 120.998 121.223 0.005 0.000 4.696 85 L HA -0.333 4.016 4.340 0.015 0.000 0.425 85 L C 1.533 178.523 176.870 0.200 0.000 1.115 85 L CA 0.204 55.055 54.840 0.019 0.000 0.996 85 L CB -1.251 40.756 42.059 -0.087 0.000 2.077 85 L HN 0.715 nan 8.230 nan 0.000 0.792 86 M N 1.168 120.873 119.600 0.176 0.000 2.149 86 M HA -0.173 4.316 4.480 0.015 0.000 0.261 86 M C 2.268 178.735 176.300 0.278 0.000 1.064 86 M CA 2.595 58.031 55.300 0.226 0.000 1.102 86 M CB -0.276 32.370 32.600 0.075 0.000 1.369 86 M HN 0.446 nan 8.290 nan 0.000 0.408 87 E N -0.904 119.402 120.200 0.177 0.000 2.401 87 E HA -0.225 4.134 4.350 0.015 0.000 0.199 87 E C 1.196 177.909 176.600 0.189 0.000 1.023 87 E CA 0.969 57.464 56.400 0.158 0.000 0.859 87 E CB -0.722 29.050 29.700 0.120 0.000 0.780 87 E HN 0.568 nan 8.360 nan 0.000 0.523 88 Q N -0.148 119.766 119.800 0.189 0.000 2.432 88 Q HA 0.085 4.434 4.340 0.015 0.000 0.205 88 Q C -0.055 175.870 176.000 -0.125 0.000 0.945 88 Q CA 0.301 56.171 55.803 0.112 0.000 0.924 88 Q CB -0.160 28.564 28.738 -0.022 0.000 1.016 88 Q HN 0.303 nan 8.270 nan 0.000 0.503 89 F N 1.098 121.099 119.950 0.085 0.000 2.425 89 F HA 0.110 4.646 4.527 0.014 0.000 0.354 89 F C 1.180 176.983 175.800 0.004 0.000 1.162 89 F CA -0.580 57.443 58.000 0.038 0.000 1.250 89 F CB 0.525 39.550 39.000 0.043 0.000 1.579 89 F HN -0.229 nan 8.300 nan 0.000 0.589 90 V N -1.099 118.815 119.914 -0.001 0.000 3.661 90 V HA 0.201 4.330 4.120 0.015 0.000 0.271 90 V C 0.592 176.659 176.094 -0.045 0.000 1.315 90 V CA -0.182 62.081 62.300 -0.061 0.000 1.072 90 V CB -0.441 31.223 31.823 -0.265 0.000 0.830 90 V HN 0.147 nan 8.190 nan 0.000 0.443 91 V N 2.603 122.504 119.914 -0.022 0.000 2.673 91 V HA 0.070 4.199 4.120 0.015 0.000 0.303 91 V C 0.638 176.760 176.094 0.046 0.000 1.046 91 V CA 0.258 62.572 62.300 0.023 0.000 1.126 91 V CB 0.557 32.409 31.823 0.049 0.000 0.934 91 V HN 0.504 nan 8.190 nan 0.000 0.487 92 D N 2.704 123.144 120.400 0.067 0.000 2.458 92 D HA 0.001 4.650 4.640 0.015 0.000 0.243 92 D C 1.189 177.474 176.300 -0.026 0.000 1.146 92 D CA 0.088 54.118 54.000 0.052 0.000 0.877 92 D CB 1.724 42.600 40.800 0.127 0.000 1.176 92 D HN 0.486 nan 8.370 nan 0.000 0.461 93 V N 2.342 122.170 119.914 -0.144 0.000 2.720 93 V HA -0.166 3.963 4.120 0.015 0.000 0.256 93 V C 1.589 177.416 176.094 -0.446 0.000 1.082 93 V CA 1.056 63.144 62.300 -0.353 0.000 1.101 93 V CB -0.882 30.498 31.823 -0.739 0.000 0.693 93 V HN 0.416 nan 8.190 nan 0.000 0.479 94 F N 2.148 121.956 119.950 -0.238 0.000 2.773 94 F HA 0.242 4.774 4.527 0.009 0.000 0.304 94 F C 1.559 177.209 175.800 -0.250 0.000 1.129 94 F CA -0.549 57.339 58.000 -0.186 0.000 1.378 94 F CB -0.610 38.307 39.000 -0.138 0.000 1.095 94 F HN 0.372 nan 8.300 nan 0.000 0.565 95 Q N 0.790 120.449 119.800 -0.236 0.000 2.431 95 Q HA 0.057 4.406 4.340 0.015 0.000 0.349 95 Q C 0.656 176.149 176.000 -0.846 0.000 1.119 95 Q CA 0.401 55.763 55.803 -0.734 0.000 1.065 95 Q CB 0.195 28.651 28.738 -0.470 0.000 1.149 95 Q HN 0.311 nan 8.270 nan 0.000 0.403 96 G N 0.713 108.590 108.800 -1.539 0.000 2.621 96 G HA2 0.452 4.421 3.960 0.015 0.000 0.271 96 G HA3 0.452 4.421 3.960 0.015 0.000 0.271 96 G C 0.770 175.370 174.900 -0.500 0.000 1.236 96 G CA -0.379 44.307 45.100 -0.689 0.000 0.958 96 G HN 1.398 nan 8.290 nan 0.000 0.512 97 G N -2.052 106.614 108.800 -0.223 0.000 2.163 97 G HA2 0.203 4.172 3.960 0.015 0.000 0.213 97 G HA3 0.203 4.172 3.960 0.015 0.000 0.213 97 G C 1.077 175.845 174.900 -0.220 0.000 0.991 97 G CA 1.065 46.075 45.100 -0.150 0.000 0.653 97 G HN 2.417 nan 8.290 nan 0.000 0.518 98 A N -1.286 121.368 122.820 -0.277 0.000 2.910 98 A HA 0.330 4.659 4.320 0.015 0.000 0.267 98 A C 2.252 179.557 177.584 -0.464 0.000 1.310 98 A CA 2.302 54.158 52.037 -0.302 0.000 0.934 98 A CB -1.371 17.495 19.000 -0.224 0.000 1.057 98 A HN 2.846 nan 8.150 nan 0.000 0.742 99 G N -4.539 103.883 108.800 -0.629 0.000 2.380 99 G HA2 -0.097 3.872 3.960 0.015 0.000 0.197 99 G HA3 -0.097 3.872 3.960 0.015 0.000 0.197 99 G C 1.240 175.829 174.900 -0.519 0.000 1.001 99 G CA 0.973 45.391 45.100 -1.136 0.000 0.668 99 G HN 1.324 nan 8.290 nan 0.000 0.483 100 T N 1.636 116.030 114.554 -0.266 0.000 2.760 100 T HA -0.131 4.227 4.350 0.015 0.000 0.269 100 T C 2.500 177.170 174.700 -0.051 0.000 1.047 100 T CA 2.238 64.277 62.100 -0.103 0.000 1.139 100 T CB -0.264 68.570 68.868 -0.056 0.000 0.855 100 T HN 0.426 nan 8.240 nan 0.000 0.471 101 S N 0.691 116.352 115.700 -0.066 0.000 2.406 101 S HA 0.001 4.480 4.470 0.015 0.000 0.228 101 S C 2.452 177.070 174.600 0.031 0.000 1.020 101 S CA 0.623 58.832 58.200 0.014 0.000 0.965 101 S CB -0.157 63.078 63.200 0.058 0.000 0.798 101 S HN 0.407 nan 8.310 nan 0.000 0.488 102 S N 1.762 117.464 115.700 0.003 0.000 2.377 102 S HA -0.019 4.460 4.470 0.015 0.000 0.223 102 S C 1.835 176.539 174.600 0.173 0.000 1.030 102 S CA 0.723 59.001 58.200 0.131 0.000 0.970 102 S CB -0.406 62.936 63.200 0.236 0.000 0.830 102 S HN 0.500 nan 8.310 nan 0.000 0.473 103 N N 1.605 120.383 118.700 0.129 0.000 2.069 103 N HA -0.072 4.677 4.740 0.015 0.000 0.191 103 N C 1.634 177.207 175.510 0.105 0.000 1.031 103 N CA 1.510 54.643 53.050 0.138 0.000 0.852 103 N CB -0.264 38.286 38.487 0.105 0.000 1.018 103 N HN 0.145 nan 8.380 nan 0.000 0.423 104 M N 0.468 120.107 119.600 0.065 0.000 2.213 104 M HA -0.057 4.432 4.480 0.015 0.000 0.263 104 M C 1.866 178.197 176.300 0.052 0.000 1.062 104 M CA 0.955 56.280 55.300 0.042 0.000 1.105 104 M CB -1.619 30.993 32.600 0.021 0.000 1.385 104 M HN 0.375 nan 8.290 nan 0.000 0.417 105 N N 0.041 118.789 118.700 0.079 0.000 2.166 105 N HA -0.113 4.636 4.740 0.015 0.000 0.186 105 N C 1.614 177.175 175.510 0.085 0.000 1.019 105 N CA 1.142 54.228 53.050 0.060 0.000 0.856 105 N CB 0.216 38.760 38.487 0.094 0.000 0.993 105 N HN 0.318 nan 8.380 nan 0.000 0.426 106 A N 1.126 124.092 122.820 0.242 0.000 1.854 106 A HA -0.104 4.225 4.320 0.015 0.000 0.214 106 A C 1.936 179.617 177.584 0.161 0.000 1.192 106 A CA 1.048 53.277 52.037 0.321 0.000 0.611 106 A CB -0.591 18.592 19.000 0.304 0.000 0.832 106 A HN 0.327 nan 8.150 nan 0.000 0.442 107 N N 0.428 119.191 118.700 0.105 0.000 2.037 107 N HA -0.212 4.537 4.740 0.015 0.000 0.196 107 N C 1.631 177.151 175.510 0.017 0.000 1.034 107 N CA 1.983 55.064 53.050 0.051 0.000 0.861 107 N CB -0.568 37.929 38.487 0.016 0.000 1.039 107 N HN 0.689 nan 8.380 nan 0.000 0.427 108 E N 0.166 120.364 120.200 -0.003 0.000 2.047 108 E HA -0.076 4.283 4.350 0.015 0.000 0.191 108 E C 2.100 178.750 176.600 0.083 0.000 0.987 108 E CA 0.806 57.203 56.400 -0.004 0.000 0.799 108 E CB -0.016 29.690 29.700 0.009 0.000 0.752 108 E HN 0.067 nan 8.360 nan 0.000 0.449 109 V N 1.465 121.411 119.914 0.053 0.000 2.261 109 V HA -0.264 3.865 4.120 0.015 0.000 0.246 109 V C 2.279 178.438 176.094 0.109 0.000 1.047 109 V CA 1.589 63.922 62.300 0.054 0.000 1.015 109 V CB -0.397 31.309 31.823 -0.194 0.000 0.642 109 V HN 0.232 nan 8.190 nan 0.000 0.446 110 I N 0.511 121.147 120.570 0.111 0.000 2.151 110 I HA -0.298 3.881 4.170 0.015 0.000 0.243 110 I C 2.650 178.837 176.117 0.117 0.000 1.080 110 I CA 1.760 63.126 61.300 0.110 0.000 1.339 110 I CB -0.607 37.456 38.000 0.105 0.000 1.039 110 I HN 0.287 nan 8.210 nan 0.000 0.409 111 A N 0.600 123.490 122.820 0.117 0.000 1.902 111 A HA -0.214 4.115 4.320 0.015 0.000 0.217 111 A C 2.075 179.771 177.584 0.188 0.000 1.181 111 A CA 1.965 54.087 52.037 0.142 0.000 0.623 111 A CB -0.647 18.427 19.000 0.123 0.000 0.818 111 A HN 0.437 nan 8.150 nan 0.000 0.443 112 N N -0.960 117.874 118.700 0.224 0.000 2.331 112 N HA -0.096 4.653 4.740 0.015 0.000 0.180 112 N C 1.813 177.497 175.510 0.289 0.000 1.019 112 N CA 1.152 54.334 53.050 0.220 0.000 0.881 112 N CB -0.246 38.352 38.487 0.186 0.000 0.972 112 N HN 0.430 nan 8.380 nan 0.000 0.435 113 R N 1.275 121.958 120.500 0.305 0.000 2.127 113 R HA 0.205 4.554 4.340 0.015 0.000 0.217 113 R C 1.826 178.253 176.300 0.211 0.000 1.074 113 R CA 1.039 57.296 56.100 0.262 0.000 0.991 113 R CB -0.640 29.709 30.300 0.081 0.000 0.895 113 R HN 0.098 nan 8.270 nan 0.000 0.450 114 A N 0.479 123.393 122.820 0.156 0.000 1.930 114 A HA -0.059 4.269 4.320 0.015 0.000 0.217 114 A C 2.166 179.822 177.584 0.120 0.000 1.175 114 A CA 1.241 53.347 52.037 0.116 0.000 0.627 114 A CB -0.568 18.479 19.000 0.078 0.000 0.815 114 A HN 0.336 nan 8.150 nan 0.000 0.443 115 L N -0.893 120.400 121.223 0.116 0.000 2.046 115 L HA -0.200 4.149 4.340 0.015 0.000 0.208 115 L C 2.702 179.613 176.870 0.069 0.000 1.077 115 L CA 1.773 56.660 54.840 0.079 0.000 0.747 115 L CB -0.420 41.670 42.059 0.052 0.000 0.896 115 L HN 0.549 nan 8.230 nan 0.000 0.432 116 E N -0.668 119.587 120.200 0.092 0.000 2.051 116 E HA -0.255 4.103 4.350 0.015 0.000 0.192 116 E C 2.169 178.792 176.600 0.039 0.000 0.991 116 E CA 1.035 57.470 56.400 0.057 0.000 0.799 116 E CB -0.005 29.756 29.700 0.102 0.000 0.748 116 E HN 0.503 nan 8.360 nan 0.000 0.449 117 H N -0.477 118.613 119.070 0.034 0.000 2.489 117 H HA -0.126 4.439 4.556 0.015 0.000 0.295 117 H C 1.654 176.983 175.328 0.003 0.000 1.082 117 H CA 0.933 56.988 56.048 0.012 0.000 1.295 117 H CB 0.313 30.073 29.762 -0.002 0.000 1.380 117 H HN 0.148 nan 8.280 nan 0.000 0.548 118 L N -0.657 120.636 121.223 0.116 0.000 2.667 118 L HA 0.206 4.555 4.340 0.015 0.000 0.232 118 L C 1.555 178.447 176.870 0.036 0.000 1.138 118 L CA 0.926 55.806 54.840 0.066 0.000 0.921 118 L CB 0.361 42.455 42.059 0.058 0.000 1.180 118 L HN 0.413 nan 8.230 nan 0.000 0.487 119 G N -0.619 108.195 108.800 0.023 0.000 2.279 119 G HA2 -0.231 3.738 3.960 0.015 0.000 0.223 119 G HA3 -0.231 3.738 3.960 0.015 0.000 0.223 119 G C 0.595 175.490 174.900 -0.009 0.000 1.015 119 G CA -0.059 45.042 45.100 0.003 0.000 0.621 119 G HN 0.306 nan 8.290 nan 0.000 0.506 120 R N 1.597 122.094 120.500 -0.006 0.000 2.528 120 R HA 0.509 4.857 4.340 0.015 0.000 0.271 120 R C -2.359 173.913 176.300 -0.046 0.000 1.056 120 R CA -1.307 54.779 56.100 -0.024 0.000 1.117 120 R CB 0.775 31.066 30.300 -0.015 0.000 1.085 120 R HN 0.283 nan 8.270 nan 0.000 0.530 121 P HA 0.154 nan 4.420 nan 0.000 0.278 121 P C -0.634 176.573 177.300 -0.155 0.000 1.258 121 P CA -0.593 62.441 63.100 -0.111 0.000 0.811 121 P CB 0.572 32.204 31.700 -0.113 0.000 1.063 122 R N 0.733 121.117 120.500 -0.193 0.000 2.486 122 R HA 0.214 4.562 4.340 0.015 0.000 0.303 122 R C 1.296 177.393 176.300 -0.338 0.000 0.958 122 R CA 1.060 57.015 56.100 -0.242 0.000 1.077 122 R CB -1.543 28.587 30.300 -0.282 0.000 0.921 122 R HN 0.968 nan 8.270 nan 0.000 0.406 123 G N 2.162 110.619 108.800 -0.571 0.000 2.176 123 G HA2 -0.266 3.703 3.960 0.015 0.000 0.232 123 G HA3 -0.266 3.703 3.960 0.015 0.000 0.232 123 G C -0.057 174.259 174.900 -0.973 0.000 0.986 123 G CA 0.153 44.581 45.100 -1.119 0.000 0.643 123 G HN 0.645 nan 8.290 nan 0.000 0.522 124 D N 0.382 120.468 120.400 -0.524 0.000 2.608 124 D HA 0.398 5.047 4.640 0.015 0.000 0.224 124 D C 1.209 177.442 176.300 -0.111 0.000 1.123 124 D CA -0.749 53.102 54.000 -0.249 0.000 1.030 124 D CB -0.407 40.320 40.800 -0.122 0.000 1.093 124 D HN 0.329 nan 8.370 nan 0.000 0.497 125 Y N 0.740 121.050 120.300 0.016 0.000 2.561 125 Y HA 0.005 4.564 4.550 0.016 0.000 0.291 125 Y C 2.698 178.689 175.900 0.152 0.000 1.141 125 Y CA 0.957 59.077 58.100 0.033 0.000 1.303 125 Y CB -1.174 37.239 38.460 -0.077 0.000 1.015 125 Y HN 0.480 nan 8.280 nan 0.000 0.547 126 Q N 0.321 120.254 119.800 0.222 0.000 2.124 126 Q HA -0.152 4.196 4.340 0.015 0.000 0.202 126 Q C 2.102 178.184 176.000 0.136 0.000 0.977 126 Q CA 2.291 58.194 55.803 0.165 0.000 0.850 126 Q CB -1.480 27.313 28.738 0.092 0.000 0.901 126 Q HN 0.538 nan 8.270 nan 0.000 0.429 127 T N 0.345 114.968 114.554 0.115 0.000 2.671 127 T HA 0.162 4.521 4.350 0.015 0.000 0.250 127 T C 0.871 175.650 174.700 0.131 0.000 1.068 127 T CA 0.720 62.880 62.100 0.099 0.000 1.177 127 T CB 0.056 68.963 68.868 0.066 0.000 0.876 127 T HN 0.482 nan 8.240 nan 0.000 0.405 128 I N 2.116 122.777 120.570 0.152 0.000 2.307 128 I HA 0.264 4.442 4.170 0.015 0.000 0.289 128 I C -0.172 176.088 176.117 0.239 0.000 1.021 128 I CA -0.619 60.785 61.300 0.173 0.000 1.224 128 I CB 0.355 38.440 38.000 0.142 0.000 1.376 128 I HN 0.391 nan 8.210 nan 0.000 0.470 129 H N 8.403 127.544 119.070 0.118 0.000 2.517 129 H HA 0.255 4.820 4.556 0.014 0.000 0.317 129 H C -1.875 173.449 175.328 -0.008 0.000 1.080 129 H CA -1.516 54.574 56.048 0.070 0.000 1.301 129 H CB 2.363 32.156 29.762 0.051 0.000 1.425 129 H HN 0.257 nan 8.280 nan 0.000 0.471 130 P HA -0.101 nan 4.420 nan 0.000 0.215 130 P C 0.616 177.884 177.300 -0.053 0.000 1.153 130 P CA 1.471 64.423 63.100 -0.246 0.000 0.853 130 P CB 0.573 31.988 31.700 -0.477 0.000 0.788 131 N N -1.344 117.388 118.700 0.053 0.000 2.197 131 N HA -0.089 4.660 4.740 0.015 0.000 0.184 131 N C 1.214 176.851 175.510 0.210 0.000 1.030 131 N CA 0.999 54.162 53.050 0.187 0.000 0.851 131 N CB -0.293 38.319 38.487 0.209 0.000 1.003 131 N HN -0.002 nan 8.380 nan 0.000 0.430 132 D N 0.059 120.653 120.400 0.323 0.000 2.194 132 D HA -0.053 4.595 4.640 0.015 0.000 0.204 132 D C 0.849 177.201 176.300 0.087 0.000 0.964 132 D CA 0.972 55.011 54.000 0.065 0.000 0.846 132 D CB 0.007 40.710 40.800 -0.161 0.000 0.962 132 D HN 0.266 nan 8.370 nan 0.000 0.490 133 D N -0.518 119.971 120.400 0.148 0.000 2.735 133 D HA 0.025 4.674 4.640 0.015 0.000 0.267 133 D C 2.275 178.641 176.300 0.110 0.000 1.081 133 D CA 0.316 54.389 54.000 0.122 0.000 0.980 133 D CB -0.179 40.705 40.800 0.139 0.000 1.129 133 D HN -0.024 nan 8.370 nan 0.000 0.459 134 V N 1.455 121.431 119.914 0.104 0.000 2.515 134 V HA -0.161 3.967 4.120 0.015 0.000 0.250 134 V C 1.664 177.813 176.094 0.091 0.000 1.058 134 V CA 1.404 63.760 62.300 0.093 0.000 1.064 134 V CB -0.589 31.280 31.823 0.076 0.000 0.675 134 V HN 0.082 nan 8.190 nan 0.000 0.461 135 N N -0.584 118.164 118.700 0.081 0.000 2.322 135 N HA 0.129 4.878 4.740 0.015 0.000 0.194 135 N C 0.617 176.158 175.510 0.052 0.000 1.126 135 N CA -0.074 53.019 53.050 0.071 0.000 0.845 135 N CB -0.196 38.328 38.487 0.061 0.000 0.976 135 N HN 0.430 nan 8.380 nan 0.000 0.475 136 M N 0.788 120.419 119.600 0.052 0.000 2.286 136 M HA -0.131 4.358 4.480 0.015 0.000 0.365 136 M C -0.090 176.164 176.300 -0.077 0.000 1.443 136 M CA 0.893 56.196 55.300 0.005 0.000 0.951 136 M CB 0.013 32.629 32.600 0.028 0.000 1.961 136 M HN 0.333 nan 8.290 nan 0.000 0.468 137 S N 1.440 117.045 115.700 -0.159 0.000 3.490 137 S HA -0.206 4.273 4.470 0.015 0.000 0.301 137 S C -0.452 174.002 174.600 -0.243 0.000 1.233 137 S CA 1.163 59.151 58.200 -0.355 0.000 0.914 137 S CB -1.726 60.951 63.200 -0.872 0.000 1.047 137 S HN 0.907 nan 8.310 nan 0.000 0.602 138 Q N -0.008 119.754 119.800 -0.064 0.000 2.458 138 Q HA 0.803 5.152 4.340 0.015 0.000 0.282 138 Q C -0.453 175.565 176.000 0.031 0.000 1.106 138 Q CA -0.459 55.363 55.803 0.031 0.000 0.814 138 Q CB 2.302 31.089 28.738 0.081 0.000 1.425 138 Q HN 0.278 nan 8.270 nan 0.000 0.437 139 S N -0.982 114.751 115.700 0.055 0.000 2.595 139 S HA 0.311 4.790 4.470 0.015 0.000 0.281 139 S C 0.401 175.041 174.600 0.067 0.000 1.117 139 S CA -0.434 57.795 58.200 0.048 0.000 0.873 139 S CB 1.669 64.892 63.200 0.040 0.000 1.108 139 S HN 0.609 nan 8.310 nan 0.000 0.477 140 T N 3.073 117.660 114.554 0.055 0.000 2.685 140 T HA -0.127 4.232 4.350 0.015 0.000 0.268 140 T C 1.315 176.075 174.700 0.099 0.000 1.034 140 T CA 1.946 64.085 62.100 0.066 0.000 1.149 140 T CB -0.546 68.326 68.868 0.007 0.000 0.860 140 T HN 0.676 nan 8.240 nan 0.000 0.449 141 N N 1.371 120.116 118.700 0.075 0.000 2.515 141 N HA -0.046 4.703 4.740 0.015 0.000 0.185 141 N C 1.300 176.870 175.510 0.099 0.000 1.109 141 N CA 0.966 54.068 53.050 0.087 0.000 0.903 141 N CB -0.063 38.463 38.487 0.064 0.000 0.969 141 N HN 0.698 nan 8.380 nan 0.000 0.450 142 D N -0.892 119.568 120.400 0.099 0.000 2.514 142 D HA 0.021 4.670 4.640 0.015 0.000 0.249 142 D C 1.678 178.037 176.300 0.099 0.000 1.036 142 D CA 0.067 54.124 54.000 0.095 0.000 0.911 142 D CB -0.355 40.499 40.800 0.091 0.000 1.145 142 D HN -0.101 nan 8.370 nan 0.000 0.495 143 V N 0.519 120.501 119.914 0.114 0.000 2.307 143 V HA -0.193 3.936 4.120 0.015 0.000 0.245 143 V C 2.393 178.548 176.094 0.103 0.000 1.045 143 V CA 1.603 63.967 62.300 0.106 0.000 1.024 143 V CB -0.860 31.033 31.823 0.118 0.000 0.651 143 V HN 0.151 nan 8.190 nan 0.000 0.449 144 Y N 2.311 122.626 120.300 0.025 0.000 2.070 144 Y HA -0.148 4.410 4.550 0.013 0.000 0.280 144 Y C 0.088 175.991 175.900 0.005 0.000 1.148 144 Y CA 2.343 60.448 58.100 0.008 0.000 1.125 144 Y CB -1.554 36.906 38.460 0.000 0.000 0.975 144 Y HN 0.289 nan 8.280 nan 0.000 0.492 145 P HA -0.167 nan 4.420 nan 0.000 0.216 145 P C 1.522 178.792 177.300 -0.050 0.000 1.153 145 P CA 2.589 65.705 63.100 0.027 0.000 0.858 145 P CB -0.312 31.468 31.700 0.133 0.000 0.789 146 T N 0.165 114.701 114.554 -0.029 0.000 2.684 146 T HA -0.126 4.233 4.350 0.015 0.000 0.267 146 T C 2.056 176.689 174.700 -0.111 0.000 1.036 146 T CA 1.829 63.900 62.100 -0.048 0.000 1.148 146 T CB -0.952 67.909 68.868 -0.012 0.000 0.863 146 T HN 0.099 nan 8.240 nan 0.000 0.436 147 A N 1.115 123.845 122.820 -0.150 0.000 1.883 147 A HA -0.088 4.241 4.320 0.015 0.000 0.217 147 A C 2.611 180.021 177.584 -0.291 0.000 1.186 147 A CA 1.602 53.516 52.037 -0.205 0.000 0.624 147 A CB -1.203 17.666 19.000 -0.219 0.000 0.822 147 A HN 0.338 nan 8.150 nan 0.000 0.444 148 V N -0.103 119.565 119.914 -0.409 0.000 2.252 148 V HA -0.352 3.777 4.120 0.015 0.000 0.249 148 V C 2.683 178.587 176.094 -0.318 0.000 1.056 148 V CA 2.582 64.648 62.300 -0.391 0.000 1.022 148 V CB -0.827 30.752 31.823 -0.407 0.000 0.641 148 V HN 0.569 nan 8.190 nan 0.000 0.445 149 R N -0.732 119.609 120.500 -0.265 0.000 2.091 149 R HA -0.179 4.170 4.340 0.015 0.000 0.238 149 R C 2.194 178.322 176.300 -0.287 0.000 1.136 149 R CA 1.693 57.568 56.100 -0.376 0.000 0.959 149 R CB -0.554 29.641 30.300 -0.174 0.000 0.856 149 R HN 0.423 nan 8.270 nan 0.000 0.437 150 L N 0.284 121.394 121.223 -0.188 0.000 2.141 150 L HA -0.021 4.327 4.340 0.015 0.000 0.209 150 L C 2.087 178.865 176.870 -0.154 0.000 1.094 150 L CA 1.702 56.459 54.840 -0.137 0.000 0.763 150 L CB -0.361 41.637 42.059 -0.102 0.000 0.908 150 L HN 0.127 nan 8.230 nan 0.000 0.437 151 A N -0.647 122.057 122.820 -0.193 0.000 1.968 151 A HA -0.077 4.252 4.320 0.015 0.000 0.217 151 A C 2.181 179.661 177.584 -0.173 0.000 1.169 151 A CA 1.604 53.539 52.037 -0.171 0.000 0.638 151 A CB -0.686 18.203 19.000 -0.185 0.000 0.812 151 A HN 0.488 nan 8.150 nan 0.000 0.446 152 L N -0.795 120.267 121.223 -0.268 0.000 2.072 152 L HA -0.120 4.229 4.340 0.015 0.000 0.205 152 L C 2.459 179.225 176.870 -0.172 0.000 1.079 152 L CA 0.833 55.501 54.840 -0.288 0.000 0.752 152 L CB -0.593 41.090 42.059 -0.628 0.000 0.906 152 L HN 0.332 nan 8.230 nan 0.000 0.436 153 L N -0.387 120.750 121.223 -0.143 0.000 2.083 153 L HA -0.220 4.129 4.340 0.015 0.000 0.209 153 L C 2.356 179.209 176.870 -0.030 0.000 1.083 153 L CA 1.191 56.004 54.840 -0.046 0.000 0.752 153 L CB -0.340 41.703 42.059 -0.027 0.000 0.899 153 L HN 0.265 nan 8.230 nan 0.000 0.433 154 L N -1.465 119.728 121.223 -0.050 0.000 2.492 154 L HA -0.036 4.313 4.340 0.015 0.000 0.223 154 L C 1.943 178.803 176.870 -0.017 0.000 1.132 154 L CA 0.355 55.175 54.840 -0.034 0.000 0.850 154 L CB -0.077 41.952 42.059 -0.049 0.000 0.966 154 L HN 0.131 nan 8.230 nan 0.000 0.454 155 S N -1.318 114.374 115.700 -0.013 0.000 2.556 155 S HA 0.002 4.480 4.470 0.015 0.000 0.216 155 S C 1.633 176.269 174.600 0.059 0.000 0.970 155 S CA -0.209 58.001 58.200 0.015 0.000 0.912 155 S CB 0.207 63.414 63.200 0.011 0.000 0.790 155 S HN 0.293 nan 8.310 nan 0.000 0.504 156 Q N 2.538 122.379 119.800 0.067 0.000 2.077 156 Q HA -0.097 4.252 4.340 0.015 0.000 0.206 156 Q C 1.553 177.610 176.000 0.094 0.000 0.989 156 Q CA 1.499 57.368 55.803 0.110 0.000 0.853 156 Q CB -0.656 28.140 28.738 0.096 0.000 0.907 156 Q HN 0.411 nan 8.270 nan 0.000 0.418 157 N N 0.624 119.361 118.700 0.061 0.000 2.244 157 N HA -0.146 4.602 4.740 0.015 0.000 0.183 157 N C 1.669 177.211 175.510 0.053 0.000 1.016 157 N CA 1.218 54.300 53.050 0.052 0.000 0.866 157 N CB -0.289 38.214 38.487 0.027 0.000 0.980 157 N HN 0.496 nan 8.380 nan 0.000 0.430 158 Q N 0.754 120.581 119.800 0.046 0.000 2.135 158 Q HA -0.110 4.239 4.340 0.015 0.000 0.204 158 Q C 1.849 177.881 176.000 0.053 0.000 0.981 158 Q CA 1.589 57.417 55.803 0.041 0.000 0.856 158 Q CB -0.352 28.404 28.738 0.030 0.000 0.902 158 Q HN 0.267 nan 8.270 nan 0.000 0.425 159 V N 0.191 120.147 119.914 0.071 0.000 2.446 159 V HA -0.141 3.987 4.120 0.015 0.000 0.244 159 V C 2.194 178.338 176.094 0.082 0.000 1.039 159 V CA 1.331 63.672 62.300 0.069 0.000 1.045 159 V CB -0.069 31.796 31.823 0.070 0.000 0.681 159 V HN 0.300 nan 8.190 nan 0.000 0.459 160 Q N 0.281 120.149 119.800 0.113 0.000 2.181 160 Q HA -0.163 4.186 4.340 0.015 0.000 0.205 160 Q C 2.271 178.423 176.000 0.254 0.000 0.980 160 Q CA 2.361 58.271 55.803 0.178 0.000 0.862 160 Q CB -0.762 28.087 28.738 0.185 0.000 0.905 160 Q HN 0.690 nan 8.270 nan 0.000 0.429 161 T N 0.797 115.438 114.554 0.145 0.000 2.857 161 T HA -0.005 4.354 4.350 0.015 0.000 0.266 161 T C 1.801 176.568 174.700 0.112 0.000 1.048 161 T CA 1.118 63.288 62.100 0.117 0.000 1.139 161 T CB -0.055 68.845 68.868 0.053 0.000 0.874 161 T HN 0.385 nan 8.240 nan 0.000 0.455 162 A N 1.047 123.914 122.820 0.078 0.000 1.897 162 A HA 0.137 4.466 4.320 0.015 0.000 0.215 162 A C 2.257 179.866 177.584 0.042 0.000 1.181 162 A CA 0.866 52.931 52.037 0.046 0.000 0.620 162 A CB -0.763 18.253 19.000 0.027 0.000 0.821 162 A HN 0.432 nan 8.150 nan 0.000 0.443 163 L N -1.330 119.917 121.223 0.040 0.000 2.042 163 L HA -0.257 4.092 4.340 0.015 0.000 0.210 163 L C 2.573 179.424 176.870 -0.032 0.000 1.076 163 L CA 1.844 56.678 54.840 -0.010 0.000 0.749 163 L CB -0.617 41.407 42.059 -0.058 0.000 0.893 163 L HN 0.506 nan 8.230 nan 0.000 0.432 164 H N -1.566 117.522 119.070 0.031 0.000 2.423 164 H HA -0.151 4.414 4.556 0.015 0.000 0.297 164 H C 2.303 177.645 175.328 0.024 0.000 1.075 164 H CA 1.275 57.342 56.048 0.032 0.000 1.342 164 H CB 0.097 29.873 29.762 0.025 0.000 1.395 164 H HN 0.097 nan 8.280 nan 0.000 0.530 165 R N 0.499 121.072 120.500 0.121 0.000 2.062 165 R HA -0.092 4.257 4.340 0.015 0.000 0.231 165 R C 2.002 178.307 176.300 0.009 0.000 1.136 165 R CA 0.997 57.128 56.100 0.052 0.000 0.948 165 R CB -0.728 29.589 30.300 0.028 0.000 0.845 165 R HN 0.272 nan 8.270 nan 0.000 0.430 166 L N 0.578 121.799 121.223 -0.004 0.000 2.083 166 L HA -0.036 4.313 4.340 0.015 0.000 0.209 166 L C 2.014 178.901 176.870 0.027 0.000 1.083 166 L CA 1.651 56.458 54.840 -0.055 0.000 0.752 166 L CB -0.478 41.573 42.059 -0.012 0.000 0.899 166 L HN 0.338 nan 8.230 nan 0.000 0.433 167 I N -0.611 120.022 120.570 0.105 0.000 2.208 167 I HA -0.350 3.829 4.170 0.015 0.000 0.245 167 I C 2.496 178.706 176.117 0.156 0.000 1.097 167 I CA 1.346 62.745 61.300 0.166 0.000 1.363 167 I CB -0.577 37.463 38.000 0.066 0.000 1.051 167 I HN 0.359 nan 8.210 nan 0.000 0.413 168 A N 0.450 123.325 122.820 0.090 0.000 1.929 168 A HA -0.047 4.282 4.320 0.015 0.000 0.216 168 A C 2.536 180.144 177.584 0.040 0.000 1.176 168 A CA 1.480 53.559 52.037 0.069 0.000 0.628 168 A CB -0.677 18.356 19.000 0.054 0.000 0.816 168 A HN 0.418 nan 8.150 nan 0.000 0.444 169 A N -0.743 122.064 122.820 -0.021 0.000 1.877 169 A HA -0.017 4.312 4.320 0.015 0.000 0.216 169 A C 1.917 179.501 177.584 0.000 0.000 1.186 169 A CA 1.638 53.621 52.037 -0.091 0.000 0.620 169 A CB -0.768 18.087 19.000 -0.241 0.000 0.822 169 A HN 0.428 nan 8.150 nan 0.000 0.443 170 F N 0.046 120.088 119.950 0.153 0.000 2.146 170 F HA -0.079 4.457 4.527 0.014 0.000 0.298 170 F C 2.387 178.305 175.800 0.197 0.000 1.096 170 F CA 1.484 59.641 58.000 0.262 0.000 1.275 170 F CB -0.759 38.391 39.000 0.250 0.000 1.008 170 F HN 0.317 nan 8.300 nan 0.000 0.480 171 E N -0.153 120.225 120.200 0.296 0.000 2.085 171 E HA -0.235 4.123 4.350 0.015 0.000 0.194 171 E C 2.365 179.017 176.600 0.088 0.000 0.994 171 E CA 1.216 57.717 56.400 0.168 0.000 0.801 171 E CB -0.283 29.486 29.700 0.116 0.000 0.743 171 E HN 0.357 nan 8.360 nan 0.000 0.453 172 A N 1.003 123.850 122.820 0.046 0.000 1.897 172 A HA -0.135 4.194 4.320 0.015 0.000 0.215 172 A C 1.915 179.407 177.584 -0.153 0.000 1.181 172 A CA 1.029 53.041 52.037 -0.043 0.000 0.620 172 A CB -0.102 18.869 19.000 -0.049 0.000 0.821 172 A HN -0.041 nan 8.150 nan 0.000 0.443 173 K N -0.140 120.164 120.400 -0.161 0.000 2.217 173 K HA -0.051 4.278 4.320 0.015 0.000 0.202 173 K C 2.028 178.361 176.600 -0.445 0.000 1.051 173 K CA 0.993 56.977 56.287 -0.507 0.000 0.952 173 K CB -0.851 31.429 32.500 -0.368 0.000 0.736 173 K HN 0.467 nan 8.250 nan 0.000 0.453 174 G N 1.377 110.169 108.800 -0.013 0.000 2.446 174 G HA2 -0.278 3.691 3.960 0.015 0.000 0.217 174 G HA3 -0.278 3.691 3.960 0.015 0.000 0.217 174 G C 1.734 176.632 174.900 -0.003 0.000 1.168 174 G CA 0.538 45.689 45.100 0.085 0.000 0.771 174 G HN 0.281 nan 8.290 nan 0.000 0.551 175 R N -0.073 120.394 120.500 -0.054 0.000 2.090 175 R HA 0.048 4.397 4.340 0.015 0.000 0.228 175 R C 2.491 178.727 176.300 -0.105 0.000 1.110 175 R CA 1.081 57.151 56.100 -0.051 0.000 0.973 175 R CB -0.264 30.009 30.300 -0.046 0.000 0.869 175 R HN 0.497 nan 8.270 nan 0.000 0.440 176 E N -0.043 119.996 120.200 -0.268 0.000 2.153 176 E HA -0.165 4.194 4.350 0.015 0.000 0.194 176 E C 0.227 176.714 176.600 -0.189 0.000 0.988 176 E CA 0.986 57.177 56.400 -0.348 0.000 0.811 176 E CB 0.174 29.494 29.700 -0.634 0.000 0.746 176 E HN 0.199 nan 8.360 nan 0.000 0.466 177 F N -0.522 119.400 119.950 -0.047 0.000 2.647 177 F HA 0.412 4.948 4.527 0.014 0.000 0.300 177 F C 1.534 177.347 175.800 0.021 0.000 1.106 177 F CA -0.157 57.819 58.000 -0.040 0.000 1.313 177 F CB -0.361 38.573 39.000 -0.109 0.000 1.007 177 F HN 0.003 nan 8.300 nan 0.000 0.536 178 A N 0.318 123.244 122.820 0.177 0.000 1.986 178 A HA -0.235 4.094 4.320 0.015 0.000 0.220 178 A C 2.171 179.887 177.584 0.222 0.000 1.171 178 A CA 2.528 54.673 52.037 0.180 0.000 0.640 178 A CB -1.022 18.041 19.000 0.103 0.000 0.811 178 A HN 0.374 nan 8.150 nan 0.000 0.451 179 T N -3.690 110.967 114.554 0.172 0.000 3.129 179 T HA 0.379 4.738 4.350 0.015 0.000 0.267 179 T C 0.034 174.807 174.700 0.122 0.000 1.018 179 T CA 0.127 62.323 62.100 0.159 0.000 0.903 179 T CB -0.080 68.850 68.868 0.104 0.000 1.067 179 T HN -0.000 nan 8.240 nan 0.000 0.549 180 V N 3.070 123.054 119.914 0.117 0.000 2.287 180 V HA 0.333 4.462 4.120 0.015 0.000 0.246 180 V C 0.471 176.579 176.094 0.023 0.000 1.165 180 V CA -0.906 61.423 62.300 0.048 0.000 1.088 180 V CB -1.021 30.797 31.823 -0.009 0.000 1.242 180 V HN 0.506 nan 8.190 nan 0.000 0.497 181 I N 5.944 126.528 120.570 0.022 0.000 2.634 181 I HA 0.376 4.555 4.170 0.015 0.000 0.284 181 I C 0.353 176.459 176.117 -0.020 0.000 1.124 181 I CA 0.399 61.699 61.300 0.001 0.000 1.417 181 I CB 0.416 38.421 38.000 0.009 0.000 1.396 181 I HN 0.791 nan 8.210 nan 0.000 0.571 182 K N 5.365 125.747 120.400 -0.030 0.000 2.507 182 K HA 0.582 4.911 4.320 0.015 0.000 0.284 182 K C -1.421 175.159 176.600 -0.034 0.000 1.038 182 K CA -0.996 55.273 56.287 -0.031 0.000 0.903 182 K CB 0.913 33.395 32.500 -0.030 0.000 1.531 182 K HN 0.354 nan 8.250 nan 0.000 0.430 183 I N 1.220 121.774 120.570 -0.028 0.000 2.385 183 I HA 0.383 4.561 4.170 0.015 0.000 0.294 183 I C 0.230 176.329 176.117 -0.029 0.000 0.988 183 I CA 0.208 61.491 61.300 -0.029 0.000 1.265 183 I CB 1.482 39.468 38.000 -0.022 0.000 1.388 183 I HN 0.766 nan 8.210 nan 0.000 0.480 184 G N 6.311 115.089 108.800 -0.037 0.000 2.599 184 G HA2 0.514 4.483 3.960 0.015 0.000 0.264 184 G HA3 0.514 4.483 3.960 0.015 0.000 0.264 184 G C -0.679 174.207 174.900 -0.024 0.000 1.200 184 G CA -0.607 44.471 45.100 -0.037 0.000 0.896 184 G HN 0.629 nan 8.290 nan 0.000 0.536 185 R N -0.201 120.287 120.500 -0.020 0.000 2.510 185 R HA 0.403 4.752 4.340 0.015 0.000 0.294 185 R C -0.796 175.498 176.300 -0.010 0.000 1.056 185 R CA -0.576 55.517 56.100 -0.011 0.000 0.918 185 R CB 1.996 32.294 30.300 -0.004 0.000 1.187 185 R HN 0.718 nan 8.270 nan 0.000 0.437 186 T N -0.301 114.248 114.554 -0.009 0.000 2.797 186 T HA 0.220 4.579 4.350 0.015 0.000 0.279 186 T C 0.341 175.040 174.700 -0.003 0.000 0.991 186 T CA -0.752 61.343 62.100 -0.007 0.000 0.979 186 T CB 1.638 70.501 68.868 -0.008 0.000 0.943 186 T HN 0.719 nan 8.240 nan 0.000 0.444 187 Q N 1.418 121.218 119.800 -0.001 0.000 2.468 187 Q HA -0.213 4.136 4.340 0.015 0.000 0.256 187 Q C 0.649 176.650 176.000 0.002 0.000 0.984 187 Q CA 0.726 56.530 55.803 0.001 0.000 1.110 187 Q CB -1.874 26.864 28.738 0.000 0.000 1.527 187 Q HN 0.905 nan 8.270 nan 0.000 0.535 188 L N -3.219 118.006 121.223 0.002 0.000 5.051 188 L HA -0.304 4.045 4.340 0.015 0.000 0.432 188 L C 0.170 177.041 176.870 0.002 0.000 1.055 188 L CA 1.008 55.850 54.840 0.003 0.000 1.095 188 L CB -1.246 40.816 42.059 0.005 0.000 1.957 188 L HN 0.342 nan 8.230 nan 0.000 0.727 189 Q N 1.172 120.972 119.800 0.000 0.000 2.259 189 Q HA 0.275 4.624 4.340 0.015 0.000 0.249 189 Q C -0.025 175.973 176.000 -0.003 0.000 0.914 189 Q CA -0.323 55.480 55.803 -0.001 0.000 0.904 189 Q CB 0.956 29.695 28.738 0.000 0.000 1.213 189 Q HN 0.034 nan 8.270 nan 0.000 0.428 190 D N 1.099 121.497 120.400 -0.004 0.000 2.571 190 D HA 0.085 4.734 4.640 0.015 0.000 0.231 190 D C 0.169 176.463 176.300 -0.009 0.000 1.133 190 D CA 0.463 54.459 54.000 -0.008 0.000 0.862 190 D CB 0.722 41.517 40.800 -0.008 0.000 1.179 190 D HN 0.609 nan 8.370 nan 0.000 0.474 191 A N 2.158 124.969 122.820 -0.014 0.000 2.611 191 A HA 0.647 4.976 4.320 0.015 0.000 0.208 191 A C -0.038 177.534 177.584 -0.020 0.000 1.958 191 A CA 0.254 52.282 52.037 -0.015 0.000 1.718 191 A CB 0.090 19.080 19.000 -0.017 0.000 1.357 191 A HN 0.504 nan 8.150 nan 0.000 0.428 192 V N -3.200 116.697 119.914 -0.028 0.000 3.074 192 V HA 0.701 4.830 4.120 0.015 0.000 0.314 192 V C -3.195 172.870 176.094 -0.049 0.000 1.117 192 V CA -2.665 59.614 62.300 -0.035 0.000 1.014 192 V CB 1.105 32.908 31.823 -0.033 0.000 1.057 192 V HN 0.406 nan 8.190 nan 0.000 0.438 193 P HA 0.570 nan 4.420 nan 0.000 0.272 193 P C -0.745 176.488 177.300 -0.111 0.000 1.223 193 P CA 0.101 63.158 63.100 -0.071 0.000 0.784 193 P CB 0.666 32.328 31.700 -0.063 0.000 0.923 194 I N -0.331 120.166 120.570 -0.121 0.000 2.984 194 I HA 0.341 4.520 4.170 0.015 0.000 0.303 194 I C -0.653 175.384 176.117 -0.133 0.000 1.381 194 I CA -0.529 60.669 61.300 -0.169 0.000 0.988 194 I CB 2.196 40.118 38.000 -0.131 0.000 1.307 194 I HN 0.350 nan 8.210 nan 0.000 0.460 195 T N 2.491 116.954 114.554 -0.152 0.000 2.918 195 T HA 0.278 4.637 4.350 0.015 0.000 0.283 195 T C 0.767 175.477 174.700 0.017 0.000 1.001 195 T CA -0.592 61.484 62.100 -0.039 0.000 1.041 195 T CB 1.507 70.393 68.868 0.030 0.000 1.028 195 T HN 0.550 nan 8.240 nan 0.000 0.511 196 L N 2.334 123.592 121.223 0.058 0.000 2.131 196 L HA 0.177 4.526 4.340 0.015 0.000 0.210 196 L C 2.485 179.520 176.870 0.276 0.000 1.092 196 L CA 2.259 57.176 54.840 0.129 0.000 0.759 196 L CB -1.218 40.834 42.059 -0.012 0.000 0.903 196 L HN 1.006 nan 8.230 nan 0.000 0.435 197 G N -1.623 107.329 108.800 0.252 0.000 2.418 197 G HA2 -0.280 3.689 3.960 0.015 0.000 0.217 197 G HA3 -0.280 3.689 3.960 0.015 0.000 0.217 197 G C 1.490 176.500 174.900 0.184 0.000 1.158 197 G CA 0.716 45.971 45.100 0.257 0.000 0.771 197 G HN 0.477 nan 8.290 nan 0.000 0.545 198 Q N -0.265 119.598 119.800 0.104 0.000 2.050 198 Q HA -0.075 4.274 4.340 0.015 0.000 0.202 198 Q C 2.457 178.414 176.000 -0.072 0.000 0.980 198 Q CA 1.338 57.152 55.803 0.018 0.000 0.840 198 Q CB -0.177 28.526 28.738 -0.060 0.000 0.898 198 Q HN 0.614 nan 8.270 nan 0.000 0.424 199 E N -0.210 119.929 120.200 -0.102 0.000 2.065 199 E HA -0.232 4.127 4.350 0.015 0.000 0.201 199 E C 1.666 177.907 176.600 -0.599 0.000 1.016 199 E CA 1.363 57.562 56.400 -0.335 0.000 0.818 199 E CB -0.072 29.500 29.700 -0.212 0.000 0.749 199 E HN 0.240 nan 8.360 nan 0.000 0.453 200 F N 0.661 120.421 119.950 -0.316 0.000 2.146 200 F HA -0.133 4.403 4.527 0.016 0.000 0.298 200 F C 2.476 178.194 175.800 -0.137 0.000 1.096 200 F CA 1.574 59.467 58.000 -0.179 0.000 1.275 200 F CB -0.293 38.835 39.000 0.214 0.000 1.008 200 F HN 0.073 nan 8.300 nan 0.000 0.480 201 E N 0.497 120.749 120.200 0.085 0.000 2.153 201 E HA -0.161 4.198 4.350 0.015 0.000 0.194 201 E C 2.104 178.668 176.600 -0.059 0.000 0.988 201 E CA 1.201 57.634 56.400 0.054 0.000 0.811 201 E CB -0.317 29.424 29.700 0.067 0.000 0.746 201 E HN 0.256 nan 8.360 nan 0.000 0.466 202 A N 0.059 122.763 122.820 -0.194 0.000 1.908 202 A HA -0.147 4.182 4.320 0.015 0.000 0.218 202 A C 1.909 179.367 177.584 -0.211 0.000 1.181 202 A CA 1.516 53.416 52.037 -0.229 0.000 0.627 202 A CB -0.927 17.882 19.000 -0.318 0.000 0.818 202 A HN 0.366 nan 8.150 nan 0.000 0.445 203 F N 0.211 119.939 119.950 -0.371 0.000 2.095 203 F HA -0.127 4.409 4.527 0.015 0.000 0.298 203 F C 2.853 178.409 175.800 -0.407 0.000 1.104 203 F CA 0.540 58.161 58.000 -0.630 0.000 1.232 203 F CB -1.245 36.857 39.000 -1.497 0.000 0.987 203 F HN 0.268 nan 8.300 nan 0.000 0.475 204 A N -0.167 122.636 122.820 -0.028 0.000 1.972 204 A HA 0.011 4.340 4.320 0.015 0.000 0.219 204 A C 2.411 180.027 177.584 0.053 0.000 1.169 204 A CA 1.635 53.747 52.037 0.125 0.000 0.635 204 A CB -1.187 17.938 19.000 0.209 0.000 0.810 204 A HN 0.297 nan 8.150 nan 0.000 0.446 205 A N -1.739 121.088 122.820 0.011 0.000 1.968 205 A HA -0.041 4.287 4.320 0.015 0.000 0.217 205 A C 2.283 179.862 177.584 -0.007 0.000 1.169 205 A CA 2.135 54.172 52.037 0.001 0.000 0.638 205 A CB -0.919 18.073 19.000 -0.013 0.000 0.812 205 A HN 0.410 nan 8.150 nan 0.000 0.446 206 T N -0.457 114.089 114.554 -0.013 0.000 2.896 206 T HA 0.067 4.426 4.350 0.015 0.000 0.263 206 T C 1.631 176.321 174.700 -0.016 0.000 1.050 206 T CA 0.999 63.090 62.100 -0.015 0.000 1.140 206 T CB -0.347 68.512 68.868 -0.014 0.000 0.877 206 T HN 0.370 nan 8.240 nan 0.000 0.457 207 L N 0.389 121.608 121.223 -0.006 0.000 2.376 207 L HA 0.084 4.433 4.340 0.015 0.000 0.219 207 L C 2.761 179.608 176.870 -0.038 0.000 1.133 207 L CA 0.784 55.618 54.840 -0.010 0.000 0.816 207 L CB -0.341 41.738 42.059 0.033 0.000 0.933 207 L HN 0.132 nan 8.230 nan 0.000 0.449 208 R N 0.329 120.812 120.500 -0.027 0.000 2.090 208 R HA -0.124 4.225 4.340 0.015 0.000 0.228 208 R C 2.077 178.359 176.300 -0.031 0.000 1.110 208 R CA 1.280 57.356 56.100 -0.040 0.000 0.973 208 R CB -0.187 30.106 30.300 -0.012 0.000 0.869 208 R HN 0.510 nan 8.270 nan 0.000 0.440 209 E N 0.760 120.947 120.200 -0.021 0.000 2.110 209 E HA -0.181 4.178 4.350 0.015 0.000 0.193 209 E C 1.297 177.883 176.600 -0.023 0.000 0.988 209 E CA 1.112 57.501 56.400 -0.018 0.000 0.804 209 E CB -0.082 29.609 29.700 -0.016 0.000 0.745 209 E HN 0.310 nan 8.360 nan 0.000 0.458 210 D N 0.725 121.105 120.400 -0.032 0.000 2.117 210 D HA -0.140 4.509 4.640 0.015 0.000 0.198 210 D C 2.345 178.625 176.300 -0.034 0.000 0.982 210 D CA 2.075 56.053 54.000 -0.037 0.000 0.828 210 D CB -0.625 40.150 40.800 -0.042 0.000 0.967 210 D HN 0.320 nan 8.370 nan 0.000 0.464 211 T N -0.613 113.909 114.554 -0.053 0.000 2.720 211 T HA -0.105 4.254 4.350 0.015 0.000 0.268 211 T C 2.099 176.805 174.700 0.010 0.000 1.037 211 T CA 1.729 63.804 62.100 -0.042 0.000 1.144 211 T CB -0.379 68.403 68.868 -0.144 0.000 0.864 211 T HN 0.098 nan 8.240 nan 0.000 0.444 212 A N 1.759 124.582 122.820 0.004 0.000 1.873 212 A HA 0.086 4.415 4.320 0.015 0.000 0.215 212 A C 2.524 180.117 177.584 0.014 0.000 1.186 212 A CA 1.487 53.534 52.037 0.017 0.000 0.616 212 A CB -0.673 18.334 19.000 0.011 0.000 0.823 212 A HN 0.375 nan 8.150 nan 0.000 0.442 213 R N -0.758 119.743 120.500 0.002 0.000 2.096 213 R HA -0.068 4.281 4.340 0.015 0.000 0.235 213 R C 1.932 178.239 176.300 0.011 0.000 1.127 213 R CA 1.225 57.323 56.100 -0.003 0.000 0.968 213 R CB -1.078 29.212 30.300 -0.018 0.000 0.861 213 R HN 0.487 nan 8.270 nan 0.000 0.440 214 L N 1.037 122.271 121.223 0.019 0.000 2.012 214 L HA -0.184 4.165 4.340 0.015 0.000 0.210 214 L C 1.812 178.752 176.870 0.116 0.000 1.073 214 L CA 1.937 56.817 54.840 0.067 0.000 0.748 214 L CB -0.553 41.542 42.059 0.060 0.000 0.891 214 L HN 0.259 nan 8.230 nan 0.000 0.431 215 E N -0.697 119.551 120.200 0.080 0.000 2.038 215 E HA -0.278 4.081 4.350 0.015 0.000 0.195 215 E C 2.098 178.724 176.600 0.043 0.000 1.000 215 E CA 1.700 58.142 56.400 0.070 0.000 0.803 215 E CB -0.111 29.621 29.700 0.054 0.000 0.750 215 E HN 0.576 nan 8.360 nan 0.000 0.448 216 E N -0.172 120.044 120.200 0.025 0.000 2.085 216 E HA -0.197 4.162 4.350 0.015 0.000 0.194 216 E C 2.072 178.660 176.600 -0.020 0.000 0.994 216 E CA 1.259 57.658 56.400 -0.001 0.000 0.801 216 E CB 0.105 29.801 29.700 -0.006 0.000 0.743 216 E HN 0.070 nan 8.360 nan 0.000 0.453 217 V N 0.627 120.547 119.914 0.010 0.000 2.346 217 V HA -0.159 3.970 4.120 0.015 0.000 0.244 217 V C 2.200 178.244 176.094 -0.084 0.000 1.037 217 V CA 1.486 63.780 62.300 -0.010 0.000 1.029 217 V CB -0.518 31.350 31.823 0.074 0.000 0.663 217 V HN 0.333 nan 8.190 nan 0.000 0.454 218 A N 0.234 123.089 122.820 0.058 0.000 2.042 218 A HA -0.244 4.085 4.320 0.015 0.000 0.222 218 A C 2.352 179.859 177.584 -0.128 0.000 1.167 218 A CA 2.210 54.214 52.037 -0.056 0.000 0.649 218 A CB -0.726 18.339 19.000 0.108 0.000 0.809 218 A HN 0.619 nan 8.150 nan 0.000 0.457 219 A N -0.233 122.531 122.820 -0.093 0.000 2.019 219 A HA -0.023 4.306 4.320 0.015 0.000 0.219 219 A C 2.042 179.546 177.584 -0.133 0.000 1.164 219 A CA 1.417 53.406 52.037 -0.081 0.000 0.644 219 A CB -0.594 18.375 19.000 -0.051 0.000 0.805 219 A HN 0.535 nan 8.150 nan 0.000 0.449 220 L N -1.897 119.177 121.223 -0.249 0.000 2.127 220 L HA -0.169 4.180 4.340 0.015 0.000 0.211 220 L C 2.059 178.791 176.870 -0.230 0.000 1.089 220 L CA 0.922 55.593 54.840 -0.282 0.000 0.757 220 L CB -0.690 41.136 42.059 -0.388 0.000 0.899 220 L HN 0.307 nan 8.230 nan 0.000 0.434 221 F N 0.318 120.177 119.950 -0.152 0.000 2.451 221 F HA -0.088 4.446 4.527 0.012 0.000 0.299 221 F C 2.500 178.227 175.800 -0.121 0.000 1.101 221 F CA 0.610 58.509 58.000 -0.169 0.000 1.436 221 F CB -0.776 38.099 39.000 -0.208 0.000 1.074 221 F HN -0.024 nan 8.300 nan 0.000 0.553 222 R N 0.453 120.984 120.500 0.052 0.000 2.120 222 R HA -0.103 4.246 4.340 0.015 0.000 0.234 222 R C 0.452 176.751 176.300 -0.002 0.000 1.123 222 R CA 0.725 56.833 56.100 0.013 0.000 0.975 222 R CB -0.431 29.864 30.300 -0.009 0.000 0.866 222 R HN 0.334 nan 8.270 nan 0.000 0.446 223 E N 1.605 121.797 120.200 -0.012 0.000 2.265 223 E HA 0.083 4.442 4.350 0.015 0.000 0.272 223 E C -0.476 176.116 176.600 -0.014 0.000 1.067 223 E CA -0.127 56.259 56.400 -0.024 0.000 0.900 223 E CB 1.060 30.731 29.700 -0.048 0.000 1.017 223 E HN 0.008 nan 8.360 nan 0.000 0.431 224 V N 0.982 120.887 119.914 -0.015 0.000 2.960 224 V HA 0.379 4.508 4.120 0.015 0.000 0.315 224 V C 0.378 176.467 176.094 -0.008 0.000 1.087 224 V CA -0.993 61.301 62.300 -0.010 0.000 0.982 224 V CB 2.050 33.867 31.823 -0.010 0.000 1.039 224 V HN 0.702 nan 8.190 nan 0.000 0.437 225 N N 1.659 120.360 118.700 0.002 0.000 2.214 225 N HA 0.104 4.853 4.740 0.015 0.000 0.214 225 N C 0.152 175.684 175.510 0.037 0.000 1.132 225 N CA -0.369 52.687 53.050 0.010 0.000 0.856 225 N CB 0.326 38.813 38.487 0.001 0.000 1.020 225 N HN 0.705 nan 8.380 nan 0.000 0.509 226 L N 1.637 122.882 121.223 0.037 0.000 2.640 226 L HA 0.187 4.536 4.340 0.015 0.000 0.280 226 L C 1.358 178.288 176.870 0.100 0.000 1.229 226 L CA 1.842 56.720 54.840 0.064 0.000 0.919 226 L CB -0.372 41.703 42.059 0.026 0.000 1.168 226 L HN 0.583 nan 8.230 nan 0.000 0.496 227 G N 2.695 111.605 108.800 0.182 0.000 2.175 227 G HA2 -0.262 3.707 3.960 0.015 0.000 0.244 227 G HA3 -0.262 3.707 3.960 0.015 0.000 0.244 227 G C 0.872 175.851 174.900 0.132 0.000 0.982 227 G CA 0.455 45.695 45.100 0.234 0.000 0.641 227 G HN 1.238 nan 8.290 nan 0.000 0.527 228 G N 0.101 108.954 108.800 0.088 0.000 2.464 228 G HA2 0.393 4.362 3.960 0.015 0.000 0.217 228 G HA3 0.393 4.362 3.960 0.015 0.000 0.217 228 G C 1.473 176.407 174.900 0.056 0.000 1.138 228 G CA 2.544 47.677 45.100 0.056 0.000 0.793 228 G HN 2.235 nan 8.290 nan 0.000 0.539 229 T N -1.505 113.089 114.554 0.067 0.000 11.211 229 T HA -0.361 3.998 4.350 0.015 0.000 0.581 229 T C 1.894 176.624 174.700 0.049 0.000 1.288 229 T CA 2.114 64.246 62.100 0.054 0.000 3.104 229 T CB -1.421 67.466 68.868 0.032 0.000 2.594 229 T HN 1.423 nan 8.240 nan 0.000 0.303 230 A N 1.866 124.709 122.820 0.039 0.000 1.884 230 A HA 0.125 4.454 4.320 0.015 0.000 0.219 230 A C 2.625 180.240 177.584 0.052 0.000 1.197 230 A CA 3.614 55.675 52.037 0.039 0.000 0.637 230 A CB -1.028 17.989 19.000 0.029 0.000 0.827 230 A HN 1.779 nan 8.150 nan 0.000 0.450 231 I N -7.189 113.413 120.570 0.054 0.000 4.442 231 I HA 0.585 4.764 4.170 0.015 0.000 0.331 231 I C 1.015 177.178 176.117 0.077 0.000 1.364 231 I CA 0.586 61.931 61.300 0.075 0.000 1.207 231 I CB 0.819 38.862 38.000 0.071 0.000 1.298 231 I HN 0.515 nan 8.210 nan 0.000 0.463 232 G N 2.110 110.942 108.800 0.053 0.000 2.192 232 G HA2 -0.274 3.695 3.960 0.015 0.000 0.193 232 G HA3 -0.274 3.695 3.960 0.015 0.000 0.193 232 G C 0.848 175.765 174.900 0.027 0.000 0.999 232 G CA 0.367 45.489 45.100 0.037 0.000 0.659 232 G HN 0.479 nan 8.290 nan 0.000 0.503 233 T N -1.592 112.979 114.554 0.030 0.000 3.129 233 T HA 0.344 4.703 4.350 0.015 0.000 0.251 233 T C 1.438 176.146 174.700 0.014 0.000 1.117 233 T CA 1.050 63.162 62.100 0.019 0.000 1.034 233 T CB -0.140 68.740 68.868 0.020 0.000 0.968 233 T HN 0.737 nan 8.240 nan 0.000 0.526 234 R N -1.074 119.439 120.500 0.022 0.000 3.994 234 R HA -0.151 4.198 4.340 0.015 0.000 0.403 234 R C 0.104 176.416 176.300 0.019 0.000 1.126 234 R CA 0.682 56.799 56.100 0.028 0.000 1.143 234 R CB -2.575 27.739 30.300 0.022 0.000 1.695 234 R HN 0.573 nan 8.270 nan 0.000 0.555 235 I N 2.237 122.814 120.570 0.012 0.000 2.775 235 I HA -0.107 4.072 4.170 0.015 0.000 0.290 235 I C 0.790 176.901 176.117 -0.011 0.000 1.203 235 I CA 0.958 62.259 61.300 0.002 0.000 1.433 235 I CB 0.293 38.295 38.000 0.004 0.000 1.354 235 I HN 0.291 nan 8.210 nan 0.000 0.579 236 N N 3.170 121.856 118.700 -0.023 0.000 2.909 236 N HA -0.207 4.541 4.740 0.015 0.000 0.242 236 N C -0.553 174.896 175.510 -0.102 0.000 0.975 236 N CA 1.156 54.175 53.050 -0.052 0.000 0.921 236 N CB -1.428 37.030 38.487 -0.049 0.000 1.112 236 N HN 0.731 nan 8.380 nan 0.000 0.581 237 A N 0.308 123.082 122.820 -0.076 0.000 2.381 237 A HA 0.640 4.969 4.320 0.015 0.000 0.299 237 A C 0.363 177.962 177.584 0.026 0.000 1.049 237 A CA 0.012 51.978 52.037 -0.118 0.000 0.715 237 A CB 1.265 20.205 19.000 -0.099 0.000 1.222 237 A HN 0.312 nan 8.150 nan 0.000 0.428 238 S N 1.404 117.140 115.700 0.060 0.000 2.592 238 S HA 0.235 4.714 4.470 0.015 0.000 0.271 238 S C 1.034 175.775 174.600 0.237 0.000 1.326 238 S CA 0.122 58.400 58.200 0.130 0.000 1.024 238 S CB 0.520 63.780 63.200 0.100 0.000 0.921 238 S HN 0.852 nan 8.310 nan 0.000 0.527 239 H N 2.369 121.486 119.070 0.079 0.000 2.353 239 H HA -0.126 4.439 4.556 0.015 0.000 0.298 239 H C 2.128 177.495 175.328 0.065 0.000 1.103 239 H CA 2.309 58.396 56.048 0.065 0.000 1.293 239 H CB -0.910 28.872 29.762 0.035 0.000 1.372 239 H HN 0.808 nan 8.280 nan 0.000 0.501 240 A N -0.180 122.680 122.820 0.067 0.000 1.877 240 A HA -0.219 4.110 4.320 0.015 0.000 0.216 240 A C 2.454 180.053 177.584 0.026 0.000 1.186 240 A CA 1.616 53.636 52.037 -0.028 0.000 0.620 240 A CB -1.443 17.555 19.000 -0.004 0.000 0.822 240 A HN 0.681 nan 8.150 nan 0.000 0.443 241 Y N 0.664 120.960 120.300 -0.007 0.000 2.165 241 Y HA -0.120 4.439 4.550 0.014 0.000 0.286 241 Y C 2.519 178.429 175.900 0.016 0.000 1.155 241 Y CA 1.450 59.552 58.100 0.004 0.000 1.164 241 Y CB -0.447 38.024 38.460 0.018 0.000 0.978 241 Y HN 0.319 nan 8.280 nan 0.000 0.513 242 A N 0.722 123.566 122.820 0.040 0.000 1.845 242 A HA -0.232 4.097 4.320 0.015 0.000 0.215 242 A C 2.034 179.535 177.584 -0.139 0.000 1.195 242 A CA 2.033 54.029 52.037 -0.068 0.000 0.616 242 A CB -0.915 18.180 19.000 0.158 0.000 0.832 242 A HN 0.662 nan 8.150 nan 0.000 0.443 243 E N -1.040 119.109 120.200 -0.085 0.000 2.070 243 E HA -0.300 4.058 4.350 0.015 0.000 0.197 243 E C 2.268 178.788 176.600 -0.134 0.000 1.004 243 E CA 1.583 57.919 56.400 -0.107 0.000 0.805 243 E CB -0.197 29.411 29.700 -0.153 0.000 0.744 243 E HN 0.653 nan 8.360 nan 0.000 0.451 244 Q N 0.688 120.392 119.800 -0.161 0.000 2.124 244 Q HA -0.119 4.230 4.340 0.015 0.000 0.202 244 Q C 1.950 177.841 176.000 -0.183 0.000 0.977 244 Q CA 1.819 57.532 55.803 -0.150 0.000 0.850 244 Q CB -0.328 28.334 28.738 -0.128 0.000 0.901 244 Q HN 0.282 nan 8.270 nan 0.000 0.429 245 A N -0.170 122.459 122.820 -0.319 0.000 1.930 245 A HA -0.105 4.224 4.320 0.015 0.000 0.217 245 A C 2.089 179.569 177.584 -0.173 0.000 1.175 245 A CA 1.317 53.164 52.037 -0.316 0.000 0.627 245 A CB -0.619 18.011 19.000 -0.616 0.000 0.815 245 A HN 0.461 nan 8.150 nan 0.000 0.443 246 I N -0.710 119.771 120.570 -0.148 0.000 2.252 246 I HA -0.193 3.986 4.170 0.015 0.000 0.245 246 I C 2.343 178.421 176.117 -0.065 0.000 1.102 246 I CA 0.915 62.164 61.300 -0.084 0.000 1.385 246 I CB -0.299 37.663 38.000 -0.063 0.000 1.064 246 I HN 0.140 nan 8.210 nan 0.000 0.414 247 V N 0.605 120.478 119.914 -0.070 0.000 2.287 247 V HA -0.304 3.825 4.120 0.015 0.000 0.248 247 V C 2.507 178.577 176.094 -0.039 0.000 1.053 247 V CA 2.033 64.303 62.300 -0.051 0.000 1.027 247 V CB -0.514 31.277 31.823 -0.054 0.000 0.646 247 V HN 0.373 nan 8.190 nan 0.000 0.447 248 E N -0.281 119.892 120.200 -0.045 0.000 2.077 248 E HA -0.194 4.165 4.350 0.015 0.000 0.193 248 E C 1.888 178.476 176.600 -0.020 0.000 0.989 248 E CA 1.032 57.418 56.400 -0.023 0.000 0.800 248 E CB -0.409 29.279 29.700 -0.021 0.000 0.746 248 E HN 0.407 nan 8.360 nan 0.000 0.452 249 L N -0.021 121.182 121.223 -0.033 0.000 2.141 249 L HA -0.060 4.289 4.340 0.015 0.000 0.209 249 L C 2.036 178.891 176.870 -0.024 0.000 1.094 249 L CA 1.519 56.343 54.840 -0.027 0.000 0.763 249 L CB -0.686 41.353 42.059 -0.033 0.000 0.908 249 L HN 0.004 nan 8.230 nan 0.000 0.437 250 S N -0.680 115.005 115.700 -0.026 0.000 2.359 250 S HA -0.285 4.194 4.470 0.015 0.000 0.224 250 S C 2.145 176.735 174.600 -0.017 0.000 1.035 250 S CA 1.673 59.860 58.200 -0.022 0.000 1.018 250 S CB -0.484 62.702 63.200 -0.023 0.000 0.876 250 S HN 0.732 nan 8.310 nan 0.000 0.448 251 Q N 0.813 120.605 119.800 -0.014 0.000 2.084 251 Q HA 0.013 4.361 4.340 0.015 0.000 0.202 251 Q C 2.040 178.035 176.000 -0.008 0.000 0.978 251 Q CA 1.761 57.559 55.803 -0.009 0.000 0.844 251 Q CB -1.102 27.634 28.738 -0.004 0.000 0.898 251 Q HN 0.729 nan 8.270 nan 0.000 0.426 252 I N 1.443 122.009 120.570 -0.007 0.000 2.286 252 I HA -0.215 3.964 4.170 0.015 0.000 0.248 252 I C 2.674 178.781 176.117 -0.015 0.000 1.115 252 I CA 1.782 63.077 61.300 -0.009 0.000 1.392 252 I CB -0.039 37.957 38.000 -0.006 0.000 1.065 252 I HN 0.540 nan 8.210 nan 0.000 0.418 253 S N -0.266 115.423 115.700 -0.019 0.000 2.503 253 S HA 0.242 4.721 4.470 0.015 0.000 0.217 253 S C 1.717 176.306 174.600 -0.020 0.000 0.999 253 S CA 0.387 58.573 58.200 -0.023 0.000 0.914 253 S CB 0.604 63.787 63.200 -0.028 0.000 0.782 253 S HN 0.567 nan 8.310 nan 0.000 0.520 254 G N 0.771 109.562 108.800 -0.016 0.000 2.157 254 G HA2 -0.206 3.763 3.960 0.015 0.000 0.248 254 G HA3 -0.206 3.763 3.960 0.015 0.000 0.248 254 G C -0.150 174.743 174.900 -0.013 0.000 0.979 254 G CA 0.302 45.394 45.100 -0.013 0.000 0.650 254 G HN 0.583 nan 8.290 nan 0.000 0.529 255 I N 0.236 120.798 120.570 -0.014 0.000 2.498 255 I HA 0.357 4.536 4.170 0.015 0.000 0.290 255 I C 0.293 176.402 176.117 -0.014 0.000 1.032 255 I CA -0.870 60.422 61.300 -0.013 0.000 1.073 255 I CB 2.083 40.075 38.000 -0.013 0.000 1.251 255 I HN 0.135 nan 8.210 nan 0.000 0.426 256 E N 6.604 126.796 120.200 -0.012 0.000 1.985 256 E HA 0.255 4.614 4.350 0.015 0.000 0.268 256 E C -1.090 175.501 176.600 -0.015 0.000 1.219 256 E CA -0.144 56.248 56.400 -0.014 0.000 0.942 256 E CB 0.362 30.054 29.700 -0.012 0.000 1.045 256 E HN 0.427 nan 8.360 nan 0.000 0.413 257 L N 4.388 125.600 121.223 -0.018 0.000 2.387 257 L HA 0.513 4.862 4.340 0.015 0.000 0.266 257 L C 0.097 176.955 176.870 -0.019 0.000 1.059 257 L CA -0.668 54.161 54.840 -0.018 0.000 0.801 257 L CB 1.200 43.247 42.059 -0.021 0.000 1.223 257 L HN 0.469 nan 8.230 nan 0.000 0.456 258 K N 0.517 120.907 120.400 -0.018 0.000 2.512 258 K HA 0.800 5.129 4.320 0.015 0.000 0.263 258 K C -1.261 175.330 176.600 -0.015 0.000 0.966 258 K CA -0.923 55.354 56.287 -0.017 0.000 0.851 258 K CB 1.869 34.359 32.500 -0.017 0.000 1.395 258 K HN 0.510 nan 8.250 nan 0.000 0.440 259 A N 1.531 124.346 122.820 -0.008 0.000 2.488 259 A HA 0.188 4.517 4.320 0.015 0.000 0.249 259 A C 0.268 177.844 177.584 -0.013 0.000 1.083 259 A CA 0.084 52.120 52.037 -0.002 0.000 0.768 259 A CB 0.255 19.267 19.000 0.020 0.000 1.017 259 A HN 0.697 nan 8.150 nan 0.000 0.496 260 T N 1.610 116.151 114.554 -0.022 0.000 2.860 260 T HA 0.364 4.723 4.350 0.015 0.000 0.299 260 T C 1.648 176.324 174.700 -0.040 0.000 1.045 260 T CA 0.491 62.567 62.100 -0.040 0.000 1.071 260 T CB 0.693 69.528 68.868 -0.055 0.000 0.985 260 T HN 0.852 nan 8.240 nan 0.000 0.537 261 G N 2.738 111.509 108.800 -0.049 0.000 2.421 261 G HA2 -0.040 3.929 3.960 0.015 0.000 0.217 261 G HA3 -0.040 3.929 3.960 0.015 0.000 0.217 261 G C 0.709 175.581 174.900 -0.048 0.000 1.143 261 G CA 0.198 45.272 45.100 -0.043 0.000 0.784 261 G HN 0.684 nan 8.290 nan 0.000 0.541 262 N N -0.119 118.542 118.700 -0.065 0.000 2.549 262 N HA 0.257 5.006 4.740 0.015 0.000 0.281 262 N C 0.931 176.390 175.510 -0.085 0.000 1.084 262 N CA -0.370 52.640 53.050 -0.067 0.000 0.862 262 N CB 1.537 39.983 38.487 -0.069 0.000 1.333 262 N HN -0.020 nan 8.380 nan 0.000 0.523 263 L N 2.008 123.197 121.223 -0.057 0.000 2.291 263 L HA -0.010 4.339 4.340 0.015 0.000 0.214 263 L C 1.927 178.766 176.870 -0.051 0.000 1.120 263 L CA 0.587 55.398 54.840 -0.049 0.000 0.799 263 L CB -0.034 42.014 42.059 -0.018 0.000 0.925 263 L HN 0.311 nan 8.230 nan 0.000 0.446 264 V N -0.203 119.690 119.914 -0.035 0.000 2.244 264 V HA -0.238 3.891 4.120 0.015 0.000 0.244 264 V C 2.627 178.665 176.094 -0.093 0.000 1.042 264 V CA 1.863 64.172 62.300 0.014 0.000 1.006 264 V CB -0.477 31.387 31.823 0.067 0.000 0.641 264 V HN 0.480 nan 8.190 nan 0.000 0.446 265 E N 0.901 120.975 120.200 -0.209 0.000 2.086 265 E HA -0.298 4.061 4.350 0.015 0.000 0.200 265 E C 2.194 178.286 176.600 -0.847 0.000 1.012 265 E CA 2.095 58.114 56.400 -0.636 0.000 0.812 265 E CB -0.275 29.199 29.700 -0.377 0.000 0.743 265 E HN 0.499 nan 8.360 nan 0.000 0.453 266 A N 0.591 123.161 122.820 -0.416 0.000 1.972 266 A HA -0.160 4.169 4.320 0.015 0.000 0.219 266 A C 2.423 179.876 177.584 -0.218 0.000 1.169 266 A CA 1.973 53.835 52.037 -0.291 0.000 0.635 266 A CB -0.797 18.111 19.000 -0.155 0.000 0.810 266 A HN 0.369 nan 8.150 nan 0.000 0.446 267 S N -0.822 114.781 115.700 -0.161 0.000 2.383 267 S HA -0.161 4.318 4.470 0.015 0.000 0.229 267 S C 1.644 176.308 174.600 0.106 0.000 1.030 267 S CA 1.721 59.927 58.200 0.011 0.000 1.002 267 S CB -0.401 62.858 63.200 0.097 0.000 0.829 267 S HN 0.906 nan 8.310 nan 0.000 0.467 268 W N 0.334 121.665 121.300 0.052 0.000 2.975 268 W HA 0.384 5.058 4.660 0.024 0.000 0.316 268 W C -0.213 176.356 176.519 0.084 0.000 1.131 268 W CA -0.216 57.165 57.345 0.060 0.000 1.624 268 W CB -0.743 28.743 29.460 0.043 0.000 1.038 268 W HN 0.173 nan 8.180 nan 0.000 0.571 269 D N 2.787 123.058 120.400 -0.215 0.000 2.348 269 D HA 0.117 4.766 4.640 0.015 0.000 0.253 269 D C 0.931 177.275 176.300 0.074 0.000 1.161 269 D CA 0.772 54.685 54.000 -0.144 0.000 0.876 269 D CB 1.623 42.127 40.800 -0.493 0.000 1.160 269 D HN 0.014 nan 8.370 nan 0.000 0.459 270 T N 0.030 114.712 114.554 0.213 0.000 3.182 270 T HA 0.297 4.656 4.350 0.015 0.000 0.277 270 T C 1.652 176.482 174.700 0.218 0.000 1.013 270 T CA -0.100 62.191 62.100 0.319 0.000 0.900 270 T CB 0.511 69.652 68.868 0.455 0.000 1.098 270 T HN 0.298 nan 8.240 nan 0.000 0.543 271 G N 1.663 110.517 108.800 0.090 0.000 2.432 271 G HA2 0.038 4.007 3.960 0.015 0.000 0.219 271 G HA3 0.038 4.007 3.960 0.015 0.000 0.219 271 G C 1.707 176.601 174.900 -0.009 0.000 1.135 271 G CA 0.585 45.720 45.100 0.058 0.000 0.767 271 G HN 0.678 nan 8.290 nan 0.000 0.550 272 A N 0.459 123.189 122.820 -0.151 0.000 1.978 272 A HA 0.091 4.420 4.320 0.015 0.000 0.220 272 A C 2.065 179.602 177.584 -0.079 0.000 1.170 272 A CA 1.366 53.248 52.037 -0.259 0.000 0.636 272 A CB -0.477 18.286 19.000 -0.396 0.000 0.810 272 A HN 0.304 nan 8.150 nan 0.000 0.448 273 F N -0.680 119.445 119.950 0.292 0.000 2.293 273 F HA -0.026 4.508 4.527 0.010 0.000 0.297 273 F C 2.310 178.266 175.800 0.261 0.000 1.089 273 F CA 0.785 58.991 58.000 0.343 0.000 1.377 273 F CB -0.727 38.414 39.000 0.236 0.000 1.051 273 F HN 0.016 nan 8.300 nan 0.000 0.511 274 V N -0.695 119.415 119.914 0.326 0.000 2.379 274 V HA -0.233 3.896 4.120 0.015 0.000 0.245 274 V C 2.268 178.456 176.094 0.156 0.000 1.044 274 V CA 2.280 64.708 62.300 0.213 0.000 1.036 274 V CB -1.019 30.898 31.823 0.158 0.000 0.664 274 V HN 0.332 nan 8.190 nan 0.000 0.453 275 T N -0.071 114.557 114.554 0.124 0.000 2.746 275 T HA -0.186 4.173 4.350 0.015 0.000 0.267 275 T C 1.658 176.422 174.700 0.107 0.000 1.039 275 T CA 1.995 64.136 62.100 0.068 0.000 1.142 275 T CB -0.326 68.541 68.868 -0.002 0.000 0.866 275 T HN 0.468 nan 8.240 nan 0.000 0.444 276 F N 1.027 121.002 119.950 0.041 0.000 2.270 276 F HA 0.149 4.684 4.527 0.012 0.000 0.295 276 F C 2.645 178.516 175.800 0.118 0.000 1.087 276 F CA 0.858 58.907 58.000 0.081 0.000 1.365 276 F CB -0.450 38.673 39.000 0.206 0.000 1.056 276 F HN 0.034 nan 8.300 nan 0.000 0.506 277 S N -0.062 115.764 115.700 0.211 0.000 2.400 277 S HA -0.136 4.343 4.470 0.015 0.000 0.232 277 S C 2.319 176.896 174.600 -0.038 0.000 1.025 277 S CA 1.436 59.679 58.200 0.072 0.000 0.993 277 S CB -1.083 62.204 63.200 0.145 0.000 0.808 277 S HN 0.564 nan 8.310 nan 0.000 0.478 278 G N 1.003 109.794 108.800 -0.015 0.000 2.408 278 G HA2 -0.143 3.826 3.960 0.015 0.000 0.217 278 G HA3 -0.143 3.826 3.960 0.015 0.000 0.217 278 G C 1.357 176.205 174.900 -0.086 0.000 1.150 278 G CA 0.949 46.029 45.100 -0.032 0.000 0.776 278 G HN 0.595 nan 8.290 nan 0.000 0.542 279 I N 0.453 120.927 120.570 -0.159 0.000 2.406 279 I HA 0.062 4.241 4.170 0.015 0.000 0.249 279 I C 2.436 178.428 176.117 -0.208 0.000 1.122 279 I CA 0.772 61.965 61.300 -0.179 0.000 1.431 279 I CB -0.176 37.712 38.000 -0.187 0.000 1.087 279 I HN 0.109 nan 8.210 nan 0.000 0.424 280 L N 0.305 121.349 121.223 -0.300 0.000 2.042 280 L HA -0.205 4.144 4.340 0.015 0.000 0.210 280 L C 2.790 179.589 176.870 -0.118 0.000 1.076 280 L CA 1.430 56.137 54.840 -0.222 0.000 0.749 280 L CB -0.981 40.939 42.059 -0.231 0.000 0.893 280 L HN 0.285 nan 8.230 nan 0.000 0.432 281 R N 0.585 121.031 120.500 -0.090 0.000 2.083 281 R HA -0.195 4.154 4.340 0.015 0.000 0.237 281 R C 2.397 178.672 176.300 -0.043 0.000 1.137 281 R CA 1.688 57.761 56.100 -0.045 0.000 0.951 281 R CB -0.309 29.974 30.300 -0.027 0.000 0.851 281 R HN 0.298 nan 8.270 nan 0.000 0.434 282 R N 0.361 120.828 120.500 -0.055 0.000 2.097 282 R HA -0.142 4.207 4.340 0.015 0.000 0.236 282 R C 2.474 178.744 176.300 -0.050 0.000 1.135 282 R CA 2.071 58.142 56.100 -0.047 0.000 0.934 282 R CB -0.448 29.821 30.300 -0.052 0.000 0.846 282 R HN 0.238 nan 8.270 nan 0.000 0.431 283 I N 0.691 121.221 120.570 -0.067 0.000 2.151 283 I HA -0.338 3.841 4.170 0.015 0.000 0.243 283 I C 2.626 178.709 176.117 -0.058 0.000 1.080 283 I CA 1.480 62.742 61.300 -0.063 0.000 1.339 283 I CB -0.539 37.417 38.000 -0.073 0.000 1.039 283 I HN 0.360 nan 8.210 nan 0.000 0.409 284 A N 0.468 123.254 122.820 -0.057 0.000 1.873 284 A HA -0.198 4.131 4.320 0.015 0.000 0.218 284 A C 2.470 180.028 177.584 -0.044 0.000 1.193 284 A CA 2.173 54.178 52.037 -0.052 0.000 0.629 284 A CB -1.160 17.820 19.000 -0.034 0.000 0.826 284 A HN 0.240 nan 8.150 nan 0.000 0.447 285 V N -0.006 119.895 119.914 -0.022 0.000 2.332 285 V HA -0.291 3.838 4.120 0.015 0.000 0.248 285 V C 2.530 178.609 176.094 -0.025 0.000 1.055 285 V CA 2.536 64.833 62.300 -0.005 0.000 1.038 285 V CB -0.626 31.198 31.823 0.002 0.000 0.651 285 V HN 0.583 nan 8.190 nan 0.000 0.450 286 K N -0.639 119.738 120.400 -0.039 0.000 2.031 286 K HA -0.115 4.214 4.320 0.015 0.000 0.205 286 K C 2.064 178.616 176.600 -0.081 0.000 1.049 286 K CA 1.304 57.560 56.287 -0.051 0.000 0.939 286 K CB -0.355 32.117 32.500 -0.046 0.000 0.717 286 K HN 0.285 nan 8.250 nan 0.000 0.438 287 L N 1.033 122.207 121.223 -0.081 0.000 2.017 287 L HA -0.154 4.195 4.340 0.015 0.000 0.208 287 L C 2.329 179.124 176.870 -0.125 0.000 1.073 287 L CA 1.737 56.519 54.840 -0.098 0.000 0.745 287 L CB -0.803 41.211 42.059 -0.075 0.000 0.894 287 L HN 0.054 nan 8.230 nan 0.000 0.432 288 S N -0.689 114.937 115.700 -0.122 0.000 2.374 288 S HA -0.270 4.209 4.470 0.015 0.000 0.227 288 S C 2.213 176.750 174.600 -0.105 0.000 1.037 288 S CA 1.680 59.792 58.200 -0.145 0.000 1.024 288 S CB -0.483 62.625 63.200 -0.154 0.000 0.861 288 S HN 0.491 nan 8.310 nan 0.000 0.456 289 K N 0.823 121.175 120.400 -0.081 0.000 2.097 289 K HA -0.037 4.292 4.320 0.015 0.000 0.206 289 K C 2.028 178.545 176.600 -0.138 0.000 1.049 289 K CA 1.399 57.644 56.287 -0.070 0.000 0.933 289 K CB -0.512 31.964 32.500 -0.040 0.000 0.717 289 K HN 0.508 nan 8.250 nan 0.000 0.442 290 I N 1.159 121.582 120.570 -0.246 0.000 2.179 290 I HA -0.262 3.917 4.170 0.015 0.000 0.242 290 I C 2.538 178.438 176.117 -0.363 0.000 1.088 290 I CA 1.238 62.227 61.300 -0.519 0.000 1.357 290 I CB -0.445 37.136 38.000 -0.699 0.000 1.051 290 I HN 0.126 nan 8.210 nan 0.000 0.409 291 A N 1.014 123.705 122.820 -0.216 0.000 1.948 291 A HA -0.252 4.077 4.320 0.015 0.000 0.220 291 A C 2.064 179.591 177.584 -0.095 0.000 1.177 291 A CA 2.194 54.151 52.037 -0.134 0.000 0.636 291 A CB -0.706 18.222 19.000 -0.120 0.000 0.815 291 A HN 0.452 nan 8.150 nan 0.000 0.449 292 N N 0.083 118.731 118.700 -0.086 0.000 2.216 292 N HA -0.093 4.655 4.740 0.015 0.000 0.183 292 N C 1.114 176.612 175.510 -0.020 0.000 1.017 292 N CA 1.373 54.403 53.050 -0.034 0.000 0.861 292 N CB -0.447 38.033 38.487 -0.012 0.000 0.986 292 N HN 0.412 nan 8.380 nan 0.000 0.428 293 D N 0.958 121.334 120.400 -0.040 0.000 2.144 293 D HA -0.053 4.596 4.640 0.015 0.000 0.199 293 D C 2.140 178.458 176.300 0.031 0.000 0.984 293 D CA 0.450 54.459 54.000 0.015 0.000 0.834 293 D CB -0.191 40.648 40.800 0.064 0.000 0.955 293 D HN 0.217 nan 8.370 nan 0.000 0.465 294 L N 0.308 121.521 121.223 -0.017 0.000 2.046 294 L HA -0.113 4.236 4.340 0.015 0.000 0.208 294 L C 2.536 179.438 176.870 0.052 0.000 1.077 294 L CA 1.050 55.918 54.840 0.046 0.000 0.747 294 L CB -0.270 41.811 42.059 0.035 0.000 0.896 294 L HN -0.029 nan 8.230 nan 0.000 0.432 295 R N -0.439 120.075 120.500 0.023 0.000 2.096 295 R HA -0.179 4.170 4.340 0.015 0.000 0.235 295 R C 2.158 178.478 176.300 0.033 0.000 1.127 295 R CA 1.091 57.206 56.100 0.026 0.000 0.968 295 R CB -0.409 29.901 30.300 0.015 0.000 0.861 295 R HN 0.189 nan 8.270 nan 0.000 0.440 296 L N 0.831 122.075 121.223 0.035 0.000 2.044 296 L HA -0.049 4.300 4.340 0.015 0.000 0.205 296 L C 1.988 178.884 176.870 0.044 0.000 1.075 296 L CA 1.524 56.385 54.840 0.035 0.000 0.747 296 L CB -0.347 41.732 42.059 0.033 0.000 0.903 296 L HN 0.104 nan 8.230 nan 0.000 0.435 297 L N -0.723 120.538 121.223 0.063 0.000 2.191 297 L HA -0.137 4.212 4.340 0.015 0.000 0.212 297 L C 2.132 179.040 176.870 0.064 0.000 1.103 297 L CA 1.291 56.175 54.840 0.074 0.000 0.769 297 L CB -0.562 41.572 42.059 0.124 0.000 0.908 297 L HN 0.490 nan 8.230 nan 0.000 0.438 298 S N -1.762 113.976 115.700 0.063 0.000 2.556 298 S HA 0.047 4.526 4.470 0.015 0.000 0.216 298 S C 0.893 175.514 174.600 0.035 0.000 0.970 298 S CA -0.283 57.949 58.200 0.052 0.000 0.912 298 S CB -0.289 62.949 63.200 0.063 0.000 0.790 298 S HN 0.353 nan 8.310 nan 0.000 0.504 299 S N 0.622 116.341 115.700 0.031 0.000 2.549 299 S HA 0.626 5.104 4.470 0.015 0.000 0.286 299 S C 0.712 175.323 174.600 0.018 0.000 1.314 299 S CA 0.150 58.364 58.200 0.023 0.000 1.062 299 S CB 0.610 63.823 63.200 0.021 0.000 0.865 299 S HN 1.178 nan 8.310 nan 0.000 0.498 300 G N 2.307 111.116 108.800 0.015 0.000 2.491 300 G HA2 0.287 4.256 3.960 0.015 0.000 0.183 300 G HA3 0.287 4.256 3.960 0.015 0.000 0.183 300 G C -2.340 172.567 174.900 0.011 0.000 1.221 300 G CA -0.130 44.977 45.100 0.011 0.000 0.996 300 G HN 0.565 nan 8.290 nan 0.000 0.474 301 P HA 0.152 nan 4.420 nan 0.000 0.222 301 P C 1.324 178.627 177.300 0.005 0.000 1.153 301 P CA 0.808 63.913 63.100 0.008 0.000 0.798 301 P CB 0.316 32.020 31.700 0.007 0.000 0.796 302 R N -1.017 119.486 120.500 0.005 0.000 2.316 302 R HA 0.252 4.601 4.340 0.015 0.000 0.201 302 R C 1.130 177.432 176.300 0.003 0.000 0.888 302 R CA 0.368 56.470 56.100 0.003 0.000 1.041 302 R CB 0.352 30.654 30.300 0.003 0.000 1.115 302 R HN -0.046 nan 8.270 nan 0.000 0.559 303 S N 0.122 115.825 115.700 0.005 0.000 2.624 303 S HA 0.350 4.829 4.470 0.015 0.000 0.246 303 S C 0.143 174.747 174.600 0.006 0.000 1.072 303 S CA -0.425 57.778 58.200 0.005 0.000 1.045 303 S CB 1.428 64.630 63.200 0.005 0.000 0.851 303 S HN 0.416 nan 8.310 nan 0.000 0.480 304 G N 0.562 109.366 108.800 0.007 0.000 3.122 304 G HA2 0.551 4.520 3.960 0.015 0.000 0.180 304 G HA3 0.551 4.520 3.960 0.015 0.000 0.180 304 G C 0.534 175.439 174.900 0.008 0.000 1.279 304 G CA -0.633 44.473 45.100 0.010 0.000 0.987 304 G HN 0.267 nan 8.290 nan 0.000 0.589 305 L N 0.230 121.460 121.223 0.011 0.000 2.162 305 L HA 0.197 4.545 4.340 0.015 0.000 0.205 305 L C 2.088 178.962 176.870 0.006 0.000 1.086 305 L CA 0.845 55.691 54.840 0.010 0.000 0.778 305 L CB -0.697 41.371 42.059 0.016 0.000 0.928 305 L HN 0.830 nan 8.230 nan 0.000 0.446 306 G N 1.157 109.963 108.800 0.010 0.000 2.356 306 G HA2 -0.289 3.680 3.960 0.015 0.000 0.296 306 G HA3 -0.289 3.680 3.960 0.015 0.000 0.296 306 G C 0.615 175.512 174.900 -0.005 0.000 1.022 306 G CA 0.710 45.813 45.100 0.004 0.000 0.961 306 G HN 0.534 nan 8.290 nan 0.000 0.510 307 E N -1.020 119.179 120.200 -0.001 0.000 2.250 307 E HA 0.235 4.594 4.350 0.015 0.000 0.192 307 E C 1.606 178.176 176.600 -0.050 0.000 0.986 307 E CA 0.988 57.374 56.400 -0.023 0.000 0.849 307 E CB 0.302 29.997 29.700 -0.008 0.000 0.797 307 E HN 0.906 nan 8.360 nan 0.000 0.482 308 I N -2.816 117.748 120.570 -0.011 0.000 3.264 308 I HA 0.573 4.752 4.170 0.015 0.000 0.315 308 I C -0.962 175.165 176.117 0.017 0.000 1.154 308 I CA -1.402 59.889 61.300 -0.015 0.000 0.962 308 I CB 2.364 40.401 38.000 0.062 0.000 1.265 308 I HN -0.337 nan 8.210 nan 0.000 0.463 309 R N 2.675 123.190 120.500 0.026 0.000 2.518 309 R HA 0.605 4.954 4.340 0.015 0.000 0.296 309 R C -1.536 174.800 176.300 0.060 0.000 1.080 309 R CA -0.549 55.572 56.100 0.035 0.000 0.922 309 R CB 1.523 31.833 30.300 0.017 0.000 1.184 309 R HN 0.674 nan 8.270 nan 0.000 0.445 310 L N 4.425 125.687 121.223 0.066 0.000 2.439 310 L HA 0.475 4.824 4.340 0.015 0.000 0.261 310 L C -1.804 175.096 176.870 0.050 0.000 1.153 310 L CA -2.164 52.720 54.840 0.072 0.000 0.808 310 L CB 0.444 42.544 42.059 0.069 0.000 1.126 310 L HN 0.380 nan 8.230 nan 0.000 0.460 311 P HA 0.037 nan 4.420 nan 0.000 0.265 311 P C -0.777 176.538 177.300 0.025 0.000 1.193 311 P CA -0.203 62.916 63.100 0.032 0.000 0.765 311 P CB 0.585 32.301 31.700 0.026 0.000 0.823 312 A N 3.400 126.232 122.820 0.021 0.000 2.539 312 A HA 0.250 4.578 4.320 0.015 0.000 0.306 312 A C 1.186 178.778 177.584 0.013 0.000 1.392 312 A CA -0.238 51.809 52.037 0.017 0.000 1.060 312 A CB -0.849 18.160 19.000 0.015 0.000 1.134 312 A HN 0.515 nan 8.150 nan 0.000 0.542 313 V N 0.354 120.275 119.914 0.013 0.000 3.354 313 V HA 0.089 4.218 4.120 0.015 0.000 0.258 313 V C 0.747 176.846 176.094 0.009 0.000 1.159 313 V CA 0.854 63.160 62.300 0.009 0.000 1.125 313 V CB -0.777 31.050 31.823 0.007 0.000 0.774 313 V HN 0.762 nan 8.190 nan 0.000 0.464 314 Q N 2.379 122.185 119.800 0.010 0.000 2.307 314 Q HA 0.439 4.788 4.340 0.015 0.000 0.262 314 Q C -2.574 173.432 176.000 0.009 0.000 0.961 314 Q CA -2.093 53.716 55.803 0.009 0.000 0.882 314 Q CB 2.000 30.744 28.738 0.010 0.000 1.264 314 Q HN 0.421 nan 8.270 nan 0.000 0.446 315 P HA 0.223 nan 4.420 nan 0.000 0.271 315 P C -0.500 176.805 177.300 0.008 0.000 1.216 315 P CA -0.133 62.972 63.100 0.008 0.000 0.771 315 P CB 1.112 32.816 31.700 0.007 0.000 0.864 316 G N 0.592 109.397 108.800 0.008 0.000 2.667 316 G HA2 0.422 4.390 3.960 0.015 0.000 0.310 316 G HA3 0.422 4.390 3.960 0.015 0.000 0.310 316 G C -0.712 174.192 174.900 0.007 0.000 1.259 316 G CA -0.607 44.498 45.100 0.008 0.000 1.019 316 G HN 0.549 nan 8.290 nan 0.000 0.496 317 S N -0.849 114.855 115.700 0.007 0.000 2.549 317 S HA 0.147 4.626 4.470 0.015 0.000 0.279 317 S C 1.820 176.424 174.600 0.006 0.000 1.321 317 S CA 0.424 58.627 58.200 0.007 0.000 1.054 317 S CB 1.065 64.269 63.200 0.006 0.000 0.899 317 S HN 0.763 nan 8.310 nan 0.000 0.497 318 S N 3.783 119.487 115.700 0.006 0.000 2.442 318 S HA -0.054 4.425 4.470 0.015 0.000 0.236 318 S C 1.446 176.049 174.600 0.005 0.000 1.007 318 S CA 1.117 59.320 58.200 0.005 0.000 0.965 318 S CB -0.409 62.794 63.200 0.005 0.000 0.773 318 S HN 0.792 nan 8.310 nan 0.000 0.504 319 I N 0.332 120.906 120.570 0.005 0.000 3.603 319 I HA 0.297 4.475 4.170 0.015 0.000 0.297 319 I C 0.318 176.439 176.117 0.005 0.000 1.269 319 I CA 0.417 61.720 61.300 0.005 0.000 1.361 319 I CB 0.196 38.199 38.000 0.005 0.000 1.063 319 I HN 0.240 nan 8.210 nan 0.000 0.448 320 M N 3.085 122.689 119.600 0.006 0.000 2.999 320 M HA 0.382 4.871 4.480 0.015 0.000 0.206 320 M C -2.560 173.744 176.300 0.007 0.000 1.111 320 M CA -1.789 53.515 55.300 0.006 0.000 0.946 320 M CB 0.154 32.758 32.600 0.007 0.000 1.330 320 M HN -0.127 nan 8.290 nan 0.000 0.533 321 P HA 0.470 nan 4.420 nan 0.000 0.281 321 P C 0.823 178.128 177.300 0.007 0.000 1.249 321 P CA 0.506 63.610 63.100 0.007 0.000 0.810 321 P CB 1.362 33.065 31.700 0.006 0.000 1.008 322 G N 0.940 109.745 108.800 0.008 0.000 2.241 322 G HA2 -0.245 3.724 3.960 0.015 0.000 0.244 322 G HA3 -0.245 3.724 3.960 0.015 0.000 0.244 322 G C 0.301 175.207 174.900 0.010 0.000 0.998 322 G CA 0.108 45.213 45.100 0.008 0.000 0.621 322 G HN 0.747 nan 8.290 nan 0.000 0.519 323 K N 1.055 121.461 120.400 0.010 0.000 2.338 323 K HA 0.468 4.797 4.320 0.015 0.000 0.290 323 K C -0.413 176.194 176.600 0.013 0.000 1.069 323 K CA -0.139 56.154 56.287 0.011 0.000 0.941 323 K CB 0.490 32.996 32.500 0.010 0.000 1.023 323 K HN 0.076 nan 8.250 nan 0.000 0.477 324 V N 5.578 125.501 119.914 0.015 0.000 2.349 324 V HA 0.129 4.257 4.120 0.015 0.000 0.284 324 V C -0.410 175.695 176.094 0.018 0.000 1.014 324 V CA -1.164 61.146 62.300 0.017 0.000 0.826 324 V CB 1.109 32.944 31.823 0.020 0.000 1.009 324 V HN 0.735 nan 8.190 nan 0.000 0.431 325 N N 6.812 125.521 118.700 0.016 0.000 2.475 325 N HA 0.212 4.961 4.740 0.015 0.000 0.267 325 N C -2.115 173.405 175.510 0.017 0.000 1.169 325 N CA -1.302 51.758 53.050 0.016 0.000 0.947 325 N CB 1.477 39.972 38.487 0.014 0.000 1.061 325 N HN 0.406 nan 8.380 nan 0.000 0.466 326 P HA 0.036 nan 4.420 nan 0.000 0.235 326 P C 0.736 178.042 177.300 0.011 0.000 1.765 326 P CA -0.015 63.097 63.100 0.019 0.000 1.034 326 P CB 0.295 32.008 31.700 0.021 0.000 1.984 327 V N 2.081 122.001 119.914 0.009 0.000 2.407 327 V HA -0.169 3.960 4.120 0.015 0.000 0.245 327 V C 2.227 178.319 176.094 -0.003 0.000 1.041 327 V CA 1.306 63.609 62.300 0.005 0.000 1.040 327 V CB -0.480 31.348 31.823 0.007 0.000 0.671 327 V HN 0.143 nan 8.190 nan 0.000 0.455 328 I N 0.348 120.916 120.570 -0.003 0.000 2.113 328 I HA -0.091 4.088 4.170 0.015 0.000 0.238 328 I C -0.130 175.974 176.117 -0.022 0.000 1.070 328 I CA 1.720 63.013 61.300 -0.012 0.000 1.332 328 I CB -1.983 36.011 38.000 -0.010 0.000 1.044 328 I HN 0.287 nan 8.210 nan 0.000 0.402 329 P HA -0.198 nan 4.420 nan 0.000 0.216 329 P C 1.581 178.851 177.300 -0.051 0.000 1.154 329 P CA 1.562 64.640 63.100 -0.036 0.000 0.865 329 P CB -0.044 31.642 31.700 -0.023 0.000 0.789 330 E N -0.303 119.878 120.200 -0.032 0.000 2.070 330 E HA -0.219 4.140 4.350 0.015 0.000 0.197 330 E C 2.206 178.776 176.600 -0.050 0.000 1.004 330 E CA 1.977 58.358 56.400 -0.032 0.000 0.805 330 E CB -0.556 29.140 29.700 -0.007 0.000 0.744 330 E HN 0.323 nan 8.360 nan 0.000 0.451 331 S N 0.267 115.943 115.700 -0.039 0.000 2.383 331 S HA -0.149 4.330 4.470 0.015 0.000 0.229 331 S C 2.169 176.728 174.600 -0.069 0.000 1.030 331 S CA 1.237 59.413 58.200 -0.041 0.000 1.002 331 S CB -0.476 62.709 63.200 -0.025 0.000 0.829 331 S HN 0.083 nan 8.310 nan 0.000 0.467 332 V N 2.844 122.709 119.914 -0.082 0.000 2.307 332 V HA -0.190 3.939 4.120 0.015 0.000 0.245 332 V C 2.502 178.485 176.094 -0.184 0.000 1.045 332 V CA 2.232 64.467 62.300 -0.108 0.000 1.024 332 V CB -1.354 30.412 31.823 -0.096 0.000 0.651 332 V HN 0.571 nan 8.190 nan 0.000 0.449 333 N N -0.405 118.157 118.700 -0.230 0.000 2.036 333 N HA -0.277 4.472 4.740 0.015 0.000 0.195 333 N C 1.948 177.092 175.510 -0.611 0.000 1.037 333 N CA 1.739 54.517 53.050 -0.455 0.000 0.855 333 N CB -0.175 38.099 38.487 -0.354 0.000 1.033 333 N HN 0.548 nan 8.380 nan 0.000 0.423 334 Q N 0.093 119.719 119.800 -0.289 0.000 2.124 334 Q HA -0.108 4.241 4.340 0.015 0.000 0.202 334 Q C 2.139 178.080 176.000 -0.099 0.000 0.977 334 Q CA 0.975 56.700 55.803 -0.130 0.000 0.850 334 Q CB 0.004 28.728 28.738 -0.024 0.000 0.901 334 Q HN 0.239 nan 8.270 nan 0.000 0.429 335 V N 0.077 119.924 119.914 -0.111 0.000 2.343 335 V HA -0.335 3.794 4.120 0.015 0.000 0.247 335 V C 2.280 178.318 176.094 -0.093 0.000 1.051 335 V CA 1.598 63.852 62.300 -0.077 0.000 1.036 335 V CB -0.428 31.354 31.823 -0.069 0.000 0.654 335 V HN 0.541 nan 8.190 nan 0.000 0.451 336 C N -0.882 118.308 119.300 -0.182 0.000 2.429 336 C HA -0.156 4.313 4.460 0.015 0.000 0.277 336 C C 2.554 177.506 174.990 -0.062 0.000 1.262 336 C CA 0.542 59.459 59.018 -0.168 0.000 1.733 336 C CB -1.176 26.410 27.740 -0.258 0.000 2.010 336 C HN 0.612 nan 8.230 nan 0.000 0.483 337 Y N 0.751 121.042 120.300 -0.015 0.000 2.293 337 Y HA -0.125 4.434 4.550 0.015 0.000 0.291 337 Y C 2.561 178.456 175.900 -0.008 0.000 1.137 337 Y CA 1.243 59.336 58.100 -0.011 0.000 1.202 337 Y CB -1.223 37.233 38.460 -0.008 0.000 0.990 337 Y HN 0.302 nan 8.280 nan 0.000 0.537 338 Q N 0.235 120.106 119.800 0.119 0.000 2.167 338 Q HA -0.089 4.260 4.340 0.015 0.000 0.202 338 Q C 2.168 178.190 176.000 0.038 0.000 0.970 338 Q CA 1.332 57.175 55.803 0.066 0.000 0.855 338 Q CB -0.385 28.374 28.738 0.036 0.000 0.911 338 Q HN 0.315 nan 8.270 nan 0.000 0.438 339 V N -0.021 119.906 119.914 0.022 0.000 2.453 339 V HA -0.196 3.933 4.120 0.015 0.000 0.247 339 V C 2.088 178.193 176.094 0.018 0.000 1.048 339 V CA 1.440 63.741 62.300 0.003 0.000 1.049 339 V CB -0.425 31.385 31.823 -0.021 0.000 0.672 339 V HN 0.358 nan 8.190 nan 0.000 0.457 340 I N 0.831 121.428 120.570 0.045 0.000 2.226 340 I HA -0.187 3.992 4.170 0.015 0.000 0.245 340 I C 2.579 178.720 176.117 0.040 0.000 1.100 340 I CA 1.819 63.148 61.300 0.049 0.000 1.374 340 I CB -0.855 37.194 38.000 0.081 0.000 1.057 340 I HN 0.400 nan 8.210 nan 0.000 0.413 341 G N 0.584 109.413 108.800 0.047 0.000 2.421 341 G HA2 -0.258 3.711 3.960 0.015 0.000 0.216 341 G HA3 -0.258 3.711 3.960 0.015 0.000 0.216 341 G C 1.400 176.321 174.900 0.034 0.000 1.171 341 G CA 0.797 45.919 45.100 0.038 0.000 0.775 341 G HN 0.292 nan 8.290 nan 0.000 0.543 342 N N 0.872 119.589 118.700 0.030 0.000 2.137 342 N HA -0.112 4.637 4.740 0.015 0.000 0.190 342 N C 1.782 177.308 175.510 0.027 0.000 1.017 342 N CA 1.489 54.551 53.050 0.021 0.000 0.859 342 N CB -0.444 38.039 38.487 -0.006 0.000 1.002 342 N HN 0.466 nan 8.380 nan 0.000 0.428 343 D N -0.169 120.247 120.400 0.027 0.000 2.144 343 D HA -0.115 4.534 4.640 0.015 0.000 0.199 343 D C 1.862 178.188 176.300 0.043 0.000 0.984 343 D CA 0.474 54.496 54.000 0.037 0.000 0.834 343 D CB -0.091 40.724 40.800 0.025 0.000 0.955 343 D HN 0.148 nan 8.370 nan 0.000 0.465 344 L N 0.090 121.334 121.223 0.035 0.000 2.056 344 L HA -0.042 4.306 4.340 0.015 0.000 0.207 344 L C 2.187 179.076 176.870 0.033 0.000 1.078 344 L CA 1.858 56.717 54.840 0.032 0.000 0.749 344 L CB -1.141 40.931 42.059 0.023 0.000 0.901 344 L HN -0.002 nan 8.230 nan 0.000 0.433 345 T N -0.650 113.925 114.554 0.035 0.000 2.665 345 T HA -0.206 4.153 4.350 0.015 0.000 0.268 345 T C 1.972 176.695 174.700 0.039 0.000 1.035 345 T CA 1.925 64.046 62.100 0.036 0.000 1.151 345 T CB -0.499 68.401 68.868 0.054 0.000 0.862 345 T HN 0.233 nan 8.240 nan 0.000 0.438 346 V N 1.372 121.317 119.914 0.053 0.000 2.332 346 V HA -0.214 3.915 4.120 0.015 0.000 0.248 346 V C 2.760 178.910 176.094 0.093 0.000 1.055 346 V CA 2.092 64.438 62.300 0.077 0.000 1.038 346 V CB -1.235 30.649 31.823 0.102 0.000 0.651 346 V HN 0.543 nan 8.190 nan 0.000 0.450 347 T N -0.034 114.567 114.554 0.079 0.000 2.635 347 T HA -0.258 4.101 4.350 0.015 0.000 0.267 347 T C 1.982 176.719 174.700 0.063 0.000 1.040 347 T CA 1.945 64.091 62.100 0.076 0.000 1.156 347 T CB -0.318 68.584 68.868 0.057 0.000 0.863 347 T HN 0.208 nan 8.240 nan 0.000 0.430 348 M N 1.081 120.700 119.600 0.032 0.000 2.073 348 M HA -0.079 4.409 4.480 0.015 0.000 0.258 348 M C 2.864 179.161 176.300 -0.006 0.000 1.070 348 M CA 1.878 57.178 55.300 0.000 0.000 1.103 348 M CB -1.637 30.943 32.600 -0.034 0.000 1.321 348 M HN 0.340 nan 8.290 nan 0.000 0.405 349 A N 0.242 123.058 122.820 -0.007 0.000 1.883 349 A HA -0.071 4.258 4.320 0.015 0.000 0.217 349 A C 2.458 180.156 177.584 0.189 0.000 1.186 349 A CA 2.601 54.657 52.037 0.032 0.000 0.624 349 A CB -1.082 17.958 19.000 0.066 0.000 0.822 349 A HN 0.522 nan 8.150 nan 0.000 0.444 350 A N -0.780 122.145 122.820 0.175 0.000 1.902 350 A HA -0.195 4.134 4.320 0.015 0.000 0.217 350 A C 2.049 179.756 177.584 0.205 0.000 1.181 350 A CA 1.787 53.957 52.037 0.222 0.000 0.623 350 A CB -0.500 18.632 19.000 0.219 0.000 0.818 350 A HN 0.542 nan 8.150 nan 0.000 0.443 351 E N 0.565 120.854 120.200 0.149 0.000 2.338 351 E HA -0.075 4.284 4.350 0.015 0.000 0.197 351 E C 0.610 177.285 176.600 0.126 0.000 1.007 351 E CA 0.979 57.451 56.400 0.121 0.000 0.849 351 E CB -0.096 29.652 29.700 0.079 0.000 0.774 351 E HN 0.487 nan 8.360 nan 0.000 0.506 352 S N 0.403 116.206 115.700 0.172 0.000 2.602 352 S HA 0.257 4.736 4.470 0.015 0.000 0.246 352 S C 0.381 175.149 174.600 0.280 0.000 1.009 352 S CA 0.034 58.363 58.200 0.215 0.000 1.052 352 S CB 0.643 63.971 63.200 0.214 0.000 0.778 352 S HN 0.262 nan 8.310 nan 0.000 0.455 353 G N 1.221 110.136 108.800 0.192 0.000 2.527 353 G HA2 0.448 4.416 3.960 0.015 0.000 0.248 353 G HA3 0.448 4.416 3.960 0.015 0.000 0.248 353 G C -0.549 174.370 174.900 0.032 0.000 1.231 353 G CA -0.412 44.767 45.100 0.132 0.000 0.838 353 G HN 0.399 nan 8.290 nan 0.000 0.570 354 Q N 0.813 120.603 119.800 -0.018 0.000 2.274 354 Q HA 0.472 4.821 4.340 0.015 0.000 0.268 354 Q C 0.284 176.215 176.000 -0.116 0.000 1.015 354 Q CA -0.674 55.087 55.803 -0.069 0.000 0.775 354 Q CB 2.303 31.023 28.738 -0.029 0.000 1.256 354 Q HN 0.574 nan 8.270 nan 0.000 0.442 355 L N 0.345 121.442 121.223 -0.210 0.000 6.223 355 L HA -0.462 3.887 4.340 0.015 0.000 0.053 355 L C 1.194 177.953 176.870 -0.186 0.000 2.244 355 L CA 1.130 55.839 54.840 -0.218 0.000 1.647 355 L CB -1.055 40.941 42.059 -0.106 0.000 2.769 355 L HN 0.616 nan 8.230 nan 0.000 1.016 356 Q N -0.408 119.377 119.800 -0.024 0.000 2.488 356 Q HA 0.343 4.691 4.340 0.015 0.000 0.211 356 Q C -0.323 175.804 176.000 0.210 0.000 0.967 356 Q CA 0.860 56.741 55.803 0.129 0.000 0.926 356 Q CB 0.104 28.908 28.738 0.110 0.000 0.992 356 Q HN 0.306 nan 8.270 nan 0.000 0.506 357 L N -0.520 120.781 121.223 0.131 0.000 2.465 357 L HA 0.456 4.805 4.340 0.015 0.000 0.257 357 L C -1.584 175.341 176.870 0.092 0.000 0.988 357 L CA -0.598 54.320 54.840 0.130 0.000 0.827 357 L CB 2.090 44.172 42.059 0.038 0.000 1.397 357 L HN -0.142 nan 8.230 nan 0.000 0.410 358 N N 1.953 120.715 118.700 0.104 0.000 2.424 358 N HA 0.428 5.177 4.740 0.015 0.000 0.271 358 N C -0.015 175.396 175.510 -0.164 0.000 0.985 358 N CA 0.247 53.317 53.050 0.033 0.000 0.921 358 N CB 2.127 40.722 38.487 0.178 0.000 1.149 358 N HN 0.769 nan 8.380 nan 0.000 0.492 359 A N 3.373 125.869 122.820 -0.540 0.000 2.238 359 A HA 0.138 4.467 4.320 0.015 0.000 0.208 359 A C -0.012 177.087 177.584 -0.809 0.000 1.177 359 A CA 0.324 51.907 52.037 -0.756 0.000 0.804 359 A CB -0.391 18.066 19.000 -0.906 0.000 0.823 359 A HN 0.582 nan 8.150 nan 0.000 0.482 360 F N -0.390 119.560 119.950 -0.000 0.000 2.805 360 F HA 0.264 4.796 4.527 0.009 0.000 0.317 360 F C 1.289 177.067 175.800 -0.036 0.000 1.146 360 F CA -0.721 57.265 58.000 -0.024 0.000 1.265 360 F CB -0.150 38.850 39.000 -0.000 0.000 0.992 360 F HN 0.229 nan 8.300 nan 0.000 0.511 361 E N 1.055 121.295 120.200 0.066 0.000 2.153 361 E HA -0.155 4.204 4.350 0.015 0.000 0.194 361 E C -0.697 175.941 176.600 0.063 0.000 0.988 361 E CA 1.082 57.497 56.400 0.024 0.000 0.811 361 E CB -1.026 28.749 29.700 0.125 0.000 0.746 361 E HN 0.325 nan 8.360 nan 0.000 0.466 362 P HA -0.190 nan 4.420 nan 0.000 0.216 362 P C 1.517 178.800 177.300 -0.029 0.000 1.150 362 P CA 0.935 64.058 63.100 0.038 0.000 0.843 362 P CB 0.033 31.667 31.700 -0.110 0.000 0.787 363 L N -1.041 120.168 121.223 -0.024 0.000 2.023 363 L HA -0.083 4.266 4.340 0.015 0.000 0.205 363 L C 2.263 179.123 176.870 -0.017 0.000 1.073 363 L CA 1.601 56.414 54.840 -0.046 0.000 0.745 363 L CB -1.163 40.908 42.059 0.020 0.000 0.900 363 L HN -0.164 nan 8.230 nan 0.000 0.435 364 I N -1.347 119.196 120.570 -0.044 0.000 2.091 364 I HA -0.342 3.837 4.170 0.015 0.000 0.239 364 I C 2.553 178.572 176.117 -0.163 0.000 1.061 364 I CA 1.804 63.031 61.300 -0.123 0.000 1.317 364 I CB -0.568 37.265 38.000 -0.279 0.000 1.031 364 I HN 0.210 nan 8.210 nan 0.000 0.401 365 V N -0.069 119.723 119.914 -0.203 0.000 2.490 365 V HA -0.328 3.801 4.120 0.015 0.000 0.250 365 V C 2.301 178.359 176.094 -0.061 0.000 1.061 365 V CA 1.926 64.122 62.300 -0.173 0.000 1.064 365 V CB -0.515 31.189 31.823 -0.199 0.000 0.670 365 V HN 0.503 nan 8.190 nan 0.000 0.461 366 Y N 1.259 121.470 120.300 -0.149 0.000 2.200 366 Y HA -0.143 4.414 4.550 0.012 0.000 0.290 366 Y C 2.431 178.270 175.900 -0.102 0.000 1.137 366 Y CA 2.159 60.170 58.100 -0.148 0.000 1.163 366 Y CB -0.443 37.857 38.460 -0.267 0.000 0.988 366 Y HN 0.344 nan 8.280 nan 0.000 0.518 367 N N 0.312 118.871 118.700 -0.235 0.000 2.188 367 N HA -0.137 4.612 4.740 0.015 0.000 0.184 367 N C 1.889 177.300 175.510 -0.166 0.000 1.018 367 N CA 1.777 54.673 53.050 -0.256 0.000 0.858 367 N CB -0.085 38.354 38.487 -0.079 0.000 0.989 367 N HN 0.423 nan 8.380 nan 0.000 0.426 368 I N 1.115 121.643 120.570 -0.071 0.000 2.286 368 I HA -0.175 4.004 4.170 0.015 0.000 0.245 368 I C 2.203 178.330 176.117 0.017 0.000 1.104 368 I CA 0.629 61.953 61.300 0.041 0.000 1.397 368 I CB -0.226 37.869 38.000 0.158 0.000 1.072 368 I HN 0.063 nan 8.210 nan 0.000 0.417 369 L N 0.158 121.348 121.223 -0.054 0.000 2.083 369 L HA -0.197 4.152 4.340 0.015 0.000 0.209 369 L C 2.714 179.530 176.870 -0.091 0.000 1.083 369 L CA 1.197 56.005 54.840 -0.054 0.000 0.752 369 L CB -0.453 41.572 42.059 -0.057 0.000 0.899 369 L HN 0.205 nan 8.230 nan 0.000 0.433 370 S N -0.695 114.877 115.700 -0.213 0.000 2.356 370 S HA -0.157 4.322 4.470 0.015 0.000 0.223 370 S C 2.165 176.701 174.600 -0.106 0.000 1.032 370 S CA 1.591 59.666 58.200 -0.209 0.000 1.005 370 S CB -0.064 62.903 63.200 -0.388 0.000 0.867 370 S HN 0.375 nan 8.310 nan 0.000 0.449 371 S N 1.394 117.043 115.700 -0.085 0.000 2.387 371 S HA 0.068 4.546 4.470 0.015 0.000 0.226 371 S C 1.874 176.462 174.600 -0.020 0.000 1.026 371 S CA 0.890 59.062 58.200 -0.046 0.000 0.972 371 S CB -0.293 62.884 63.200 -0.038 0.000 0.814 371 S HN 0.403 nan 8.310 nan 0.000 0.477 372 M N 0.738 120.345 119.600 0.012 0.000 2.108 372 M HA -0.089 4.400 4.480 0.015 0.000 0.261 372 M C 2.482 178.793 176.300 0.019 0.000 1.066 372 M CA 1.314 56.639 55.300 0.042 0.000 1.107 372 M CB -0.270 32.392 32.600 0.103 0.000 1.356 372 M HN 0.118 nan 8.290 nan 0.000 0.406 373 R N 0.380 120.882 120.500 0.003 0.000 2.075 373 R HA -0.029 4.320 4.340 0.015 0.000 0.232 373 R C 2.075 178.373 176.300 -0.004 0.000 1.126 373 R CA 1.248 57.349 56.100 0.002 0.000 0.963 373 R CB -0.601 29.698 30.300 -0.002 0.000 0.858 373 R HN 0.425 nan 8.270 nan 0.000 0.435 374 L N 0.512 121.727 121.223 -0.014 0.000 2.093 374 L HA -0.157 4.192 4.340 0.015 0.000 0.208 374 L C 2.458 179.316 176.870 -0.021 0.000 1.085 374 L CA 0.943 55.773 54.840 -0.017 0.000 0.755 374 L CB -0.326 41.718 42.059 -0.024 0.000 0.904 374 L HN 0.167 nan 8.230 nan 0.000 0.435 375 L N -0.706 120.504 121.223 -0.022 0.000 2.017 375 L HA -0.136 4.213 4.340 0.015 0.000 0.208 375 L C 2.667 179.529 176.870 -0.014 0.000 1.073 375 L CA 1.387 56.213 54.840 -0.024 0.000 0.745 375 L CB -1.128 40.914 42.059 -0.028 0.000 0.894 375 L HN 0.302 nan 8.230 nan 0.000 0.432 376 G N -0.212 108.587 108.800 -0.001 0.000 2.553 376 G HA2 -0.320 3.649 3.960 0.015 0.000 0.218 376 G HA3 -0.320 3.649 3.960 0.015 0.000 0.218 376 G C 1.717 176.617 174.900 -0.000 0.000 1.195 376 G CA 0.944 46.048 45.100 0.007 0.000 0.779 376 G HN 0.253 nan 8.290 nan 0.000 0.577 377 R N 0.349 120.847 120.500 -0.003 0.000 2.081 377 R HA 0.066 4.415 4.340 0.015 0.000 0.235 377 R C 3.058 179.349 176.300 -0.015 0.000 1.131 377 R CA 1.173 57.269 56.100 -0.006 0.000 0.960 377 R CB -0.359 29.939 30.300 -0.002 0.000 0.856 377 R HN 0.368 nan 8.270 nan 0.000 0.436 378 A N 0.575 123.383 122.820 -0.021 0.000 1.902 378 A HA -0.182 4.147 4.320 0.015 0.000 0.217 378 A C 2.114 179.678 177.584 -0.034 0.000 1.181 378 A CA 1.449 53.467 52.037 -0.032 0.000 0.623 378 A CB -0.363 18.611 19.000 -0.043 0.000 0.818 378 A HN 0.213 nan 8.150 nan 0.000 0.443 379 M N -1.177 118.406 119.600 -0.027 0.000 2.236 379 M HA -0.082 4.407 4.480 0.015 0.000 0.266 379 M C 2.158 178.438 176.300 -0.034 0.000 1.070 379 M CA 1.699 56.983 55.300 -0.028 0.000 1.137 379 M CB -0.518 32.074 32.600 -0.014 0.000 1.378 379 M HN 0.406 nan 8.290 nan 0.000 0.426 380 T N 0.613 115.153 114.554 -0.022 0.000 2.821 380 T HA -0.085 4.274 4.350 0.015 0.000 0.267 380 T C 1.493 176.174 174.700 -0.030 0.000 1.046 380 T CA 1.294 63.380 62.100 -0.022 0.000 1.139 380 T CB -0.337 68.525 68.868 -0.009 0.000 0.871 380 T HN 0.303 nan 8.240 nan 0.000 0.454 381 N N 1.040 119.723 118.700 -0.028 0.000 2.188 381 N HA 0.021 4.770 4.740 0.015 0.000 0.184 381 N C 1.608 177.093 175.510 -0.041 0.000 1.018 381 N CA 0.405 53.438 53.050 -0.029 0.000 0.858 381 N CB -0.574 37.899 38.487 -0.023 0.000 0.989 381 N HN 0.180 nan 8.380 nan 0.000 0.426 382 L N 0.734 121.925 121.223 -0.053 0.000 2.046 382 L HA -0.024 4.325 4.340 0.015 0.000 0.208 382 L C 1.946 178.750 176.870 -0.109 0.000 1.077 382 L CA 1.553 56.350 54.840 -0.071 0.000 0.747 382 L CB -0.940 41.075 42.059 -0.072 0.000 0.896 382 L HN 0.144 nan 8.230 nan 0.000 0.432 383 A N -0.895 121.852 122.820 -0.122 0.000 1.855 383 A HA -0.196 4.133 4.320 0.015 0.000 0.215 383 A C 2.208 179.736 177.584 -0.094 0.000 1.191 383 A CA 1.744 53.691 52.037 -0.150 0.000 0.613 383 A CB -0.648 18.277 19.000 -0.125 0.000 0.829 383 A HN 0.561 nan 8.150 nan 0.000 0.442 384 E N -0.830 119.335 120.200 -0.060 0.000 2.152 384 E HA -0.079 4.280 4.350 0.015 0.000 0.192 384 E C 1.523 178.105 176.600 -0.031 0.000 0.983 384 E CA 0.871 57.247 56.400 -0.039 0.000 0.818 384 E CB 0.004 29.688 29.700 -0.027 0.000 0.758 384 E HN 0.539 nan 8.360 nan 0.000 0.467 385 R N -1.377 119.105 120.500 -0.030 0.000 2.543 385 R HA 0.266 4.615 4.340 0.015 0.000 0.323 385 R C 0.894 177.188 176.300 -0.010 0.000 1.002 385 R CA -0.168 55.922 56.100 -0.016 0.000 1.106 385 R CB 0.604 30.897 30.300 -0.012 0.000 1.280 385 R HN 0.092 nan 8.270 nan 0.000 0.549 386 C N -1.610 117.679 119.300 -0.017 0.000 3.154 386 C HA 0.153 4.622 4.460 0.015 0.000 0.284 386 C C 2.229 177.229 174.990 0.016 0.000 2.328 386 C CA -0.028 58.993 59.018 0.005 0.000 1.586 386 C CB -0.004 27.738 27.740 0.003 0.000 1.551 386 C HN 0.143 nan 8.230 nan 0.000 0.693 387 V N 2.297 122.193 119.914 -0.031 0.000 2.231 387 V HA -0.203 3.926 4.120 0.015 0.000 0.248 387 V C 2.053 178.145 176.094 -0.004 0.000 1.054 387 V CA 2.868 65.156 62.300 -0.020 0.000 1.015 387 V CB -0.815 30.840 31.823 -0.279 0.000 0.638 387 V HN 0.565 nan 8.190 nan 0.000 0.444 388 D N 0.512 120.882 120.400 -0.049 0.000 2.203 388 D HA -0.146 4.503 4.640 0.015 0.000 0.199 388 D C 1.858 178.149 176.300 -0.015 0.000 0.997 388 D CA 1.759 55.735 54.000 -0.040 0.000 0.863 388 D CB -0.337 40.439 40.800 -0.040 0.000 0.928 388 D HN 0.545 nan 8.370 nan 0.000 0.458 389 G N -0.884 107.922 108.800 0.011 0.000 3.393 389 G HA2 0.215 4.184 3.960 0.015 0.000 0.255 389 G HA3 0.215 4.184 3.960 0.015 0.000 0.255 389 G C 0.563 175.502 174.900 0.066 0.000 1.097 389 G CA -0.366 44.751 45.100 0.029 0.000 0.780 389 G HN 0.147 nan 8.290 nan 0.000 0.540 390 I N 1.023 121.654 120.570 0.102 0.000 2.692 390 I HA 0.152 4.331 4.170 0.015 0.000 0.284 390 I C 0.162 176.411 176.117 0.221 0.000 1.159 390 I CA 0.472 61.869 61.300 0.162 0.000 1.423 390 I CB 0.902 39.050 38.000 0.246 0.000 1.380 390 I HN 0.080 nan 8.210 nan 0.000 0.580 391 E N 3.837 124.127 120.200 0.150 0.000 2.288 391 E HA 0.647 5.006 4.350 0.015 0.000 0.268 391 E C -1.020 175.522 176.600 -0.097 0.000 0.885 391 E CA -0.982 55.486 56.400 0.114 0.000 0.767 391 E CB 2.101 31.844 29.700 0.071 0.000 1.220 391 E HN 0.670 nan 8.360 nan 0.000 0.427 392 A N 2.786 125.432 122.820 -0.290 0.000 2.309 392 A HA 0.278 4.607 4.320 0.015 0.000 0.298 392 A C -0.167 177.303 177.584 -0.192 0.000 1.165 392 A CA -0.608 51.165 52.037 -0.441 0.000 0.821 392 A CB 0.348 18.868 19.000 -0.800 0.000 1.102 392 A HN 0.607 nan 8.150 nan 0.000 0.500 393 N N 2.757 121.370 118.700 -0.146 0.000 2.466 393 N HA 0.086 4.835 4.740 0.015 0.000 0.263 393 N C 1.174 176.630 175.510 -0.089 0.000 1.178 393 N CA -0.016 52.983 53.050 -0.085 0.000 0.983 393 N CB 1.115 39.568 38.487 -0.057 0.000 1.331 393 N HN 0.442 nan 8.380 nan 0.000 0.500 394 V N 1.752 121.621 119.914 -0.076 0.000 2.427 394 V HA -0.172 3.957 4.120 0.015 0.000 0.248 394 V C 2.048 178.117 176.094 -0.041 0.000 1.051 394 V CA 1.428 63.690 62.300 -0.064 0.000 1.048 394 V CB -0.083 31.718 31.823 -0.037 0.000 0.666 394 V HN 0.494 nan 8.190 nan 0.000 0.456 395 E N -0.206 119.976 120.200 -0.030 0.000 2.158 395 E HA -0.077 4.282 4.350 0.015 0.000 0.191 395 E C 2.345 178.933 176.600 -0.021 0.000 0.982 395 E CA 0.513 56.901 56.400 -0.020 0.000 0.823 395 E CB -0.223 29.469 29.700 -0.013 0.000 0.766 395 E HN 0.430 nan 8.360 nan 0.000 0.468 396 R N 0.264 120.749 120.500 -0.026 0.000 2.092 396 R HA -0.061 4.287 4.340 0.015 0.000 0.231 396 R C 2.324 178.609 176.300 -0.026 0.000 1.119 396 R CA 0.882 56.968 56.100 -0.023 0.000 0.970 396 R CB -0.281 30.006 30.300 -0.022 0.000 0.864 396 R HN 0.188 nan 8.270 nan 0.000 0.440 397 C N -0.086 119.191 119.300 -0.038 0.000 2.413 397 C HA -0.126 4.343 4.460 0.015 0.000 0.278 397 C C 2.786 177.759 174.990 -0.028 0.000 1.224 397 C CA 1.056 60.050 59.018 -0.041 0.000 1.732 397 C CB -0.949 26.752 27.740 -0.066 0.000 2.050 397 C HN 0.520 nan 8.230 nan 0.000 0.463 398 R N 1.001 121.486 120.500 -0.024 0.000 2.091 398 R HA -0.141 4.208 4.340 0.015 0.000 0.238 398 R C 2.173 178.465 176.300 -0.013 0.000 1.136 398 R CA 1.894 57.986 56.100 -0.015 0.000 0.959 398 R CB -0.470 29.824 30.300 -0.010 0.000 0.856 398 R HN 0.487 nan 8.270 nan 0.000 0.437 399 A N -0.051 122.761 122.820 -0.014 0.000 1.978 399 A HA -0.084 4.245 4.320 0.015 0.000 0.220 399 A C 2.305 179.882 177.584 -0.012 0.000 1.170 399 A CA 1.702 53.732 52.037 -0.011 0.000 0.636 399 A CB -1.133 17.861 19.000 -0.010 0.000 0.810 399 A HN 0.601 nan 8.150 nan 0.000 0.448 400 G N -1.122 107.670 108.800 -0.014 0.000 2.484 400 G HA2 0.143 4.112 3.960 0.015 0.000 0.218 400 G HA3 0.143 4.112 3.960 0.015 0.000 0.218 400 G C 1.559 176.450 174.900 -0.015 0.000 1.130 400 G CA 1.161 46.253 45.100 -0.013 0.000 0.784 400 G HN 0.733 nan 8.290 nan 0.000 0.543 401 A N 1.021 123.831 122.820 -0.016 0.000 1.898 401 A HA 0.124 4.453 4.320 0.015 0.000 0.214 401 A C 2.146 179.722 177.584 -0.014 0.000 1.183 401 A CA 1.464 53.491 52.037 -0.017 0.000 0.622 401 A CB -0.156 18.833 19.000 -0.018 0.000 0.824 401 A HN 0.384 nan 8.150 nan 0.000 0.444 402 E N -0.436 119.758 120.200 -0.011 0.000 2.112 402 E HA -0.157 4.202 4.350 0.015 0.000 0.190 402 E C 1.901 178.496 176.600 -0.010 0.000 0.979 402 E CA 1.005 57.400 56.400 -0.009 0.000 0.814 402 E CB -0.136 29.561 29.700 -0.006 0.000 0.762 402 E HN 0.720 nan 8.360 nan 0.000 0.460 403 E N 1.711 121.905 120.200 -0.010 0.000 2.097 403 E HA -0.122 4.237 4.350 0.015 0.000 0.196 403 E C 0.659 177.252 176.600 -0.011 0.000 1.000 403 E CA 0.609 57.003 56.400 -0.010 0.000 0.804 403 E CB -0.057 29.637 29.700 -0.009 0.000 0.740 403 E HN -0.077 nan 8.360 nan 0.000 0.454 404 S N -1.221 114.471 115.700 -0.013 0.000 2.642 404 S HA -0.056 4.422 4.470 0.015 0.000 0.308 404 S C 1.242 175.832 174.600 -0.017 0.000 1.255 404 S CA 0.327 58.518 58.200 -0.015 0.000 1.057 404 S CB 0.505 63.694 63.200 -0.017 0.000 0.785 404 S HN 0.420 nan 8.310 nan 0.000 0.500 405 I N 4.339 124.899 120.570 -0.017 0.000 3.334 405 I HA 0.025 4.204 4.170 0.015 0.000 0.282 405 I C 2.256 178.358 176.117 -0.026 0.000 1.313 405 I CA 1.480 62.767 61.300 -0.021 0.000 1.396 405 I CB -1.644 36.344 38.000 -0.020 0.000 1.054 405 I HN 0.954 nan 8.210 nan 0.000 0.495 406 S N -0.478 115.208 115.700 -0.023 0.000 2.522 406 S HA -0.005 4.474 4.470 0.015 0.000 0.227 406 S C 1.948 176.531 174.600 -0.028 0.000 0.986 406 S CA 0.830 59.015 58.200 -0.025 0.000 0.929 406 S CB -0.652 62.535 63.200 -0.021 0.000 0.769 406 S HN 0.715 nan 8.310 nan 0.000 0.529 407 L N 0.952 122.160 121.223 -0.026 0.000 2.187 407 L HA -0.076 4.273 4.340 0.015 0.000 0.213 407 L C 3.067 179.918 176.870 -0.031 0.000 1.100 407 L CA 1.201 56.026 54.840 -0.025 0.000 0.765 407 L CB -0.947 41.100 42.059 -0.020 0.000 0.904 407 L HN 0.532 nan 8.230 nan 0.000 0.437 408 A N -0.503 122.293 122.820 -0.040 0.000 2.125 408 A HA -0.165 4.164 4.320 0.015 0.000 0.219 408 A C 2.278 179.821 177.584 -0.068 0.000 1.156 408 A CA 1.897 53.901 52.037 -0.056 0.000 0.671 408 A CB -0.654 18.304 19.000 -0.070 0.000 0.794 408 A HN 0.366 nan 8.150 nan 0.000 0.459 409 T N 0.283 114.804 114.554 -0.055 0.000 2.803 409 T HA -0.061 4.298 4.350 0.015 0.000 0.269 409 T C 1.969 176.650 174.700 -0.031 0.000 1.052 409 T CA 1.402 63.474 62.100 -0.048 0.000 1.136 409 T CB -0.298 68.556 68.868 -0.023 0.000 0.864 409 T HN 0.602 nan 8.240 nan 0.000 0.467 410 A N 0.686 123.491 122.820 -0.025 0.000 2.239 410 A HA 0.226 4.554 4.320 0.015 0.000 0.209 410 A C 1.885 179.460 177.584 -0.015 0.000 1.171 410 A CA 0.550 52.578 52.037 -0.014 0.000 0.768 410 A CB -0.572 18.422 19.000 -0.010 0.000 0.790 410 A HN 0.519 nan 8.150 nan 0.000 0.478 411 L N -1.074 120.131 121.223 -0.030 0.000 2.592 411 L HA 0.043 4.392 4.340 0.015 0.000 0.227 411 L C 1.909 178.762 176.870 -0.029 0.000 1.127 411 L CA -0.096 54.726 54.840 -0.030 0.000 0.884 411 L CB -0.120 41.915 42.059 -0.039 0.000 1.065 411 L HN 0.166 nan 8.230 nan 0.000 0.457 412 V N 1.395 121.293 119.914 -0.026 0.000 2.287 412 V HA -0.159 3.970 4.120 0.015 0.000 0.248 412 V C -0.182 175.928 176.094 0.026 0.000 1.053 412 V CA 2.041 64.343 62.300 0.003 0.000 1.027 412 V CB -1.124 30.729 31.823 0.049 0.000 0.646 412 V HN 0.381 nan 8.190 nan 0.000 0.447 413 P HA -0.019 nan 4.420 nan 0.000 0.233 413 P C 1.447 178.755 177.300 0.014 0.000 1.167 413 P CA 0.765 63.878 63.100 0.021 0.000 0.770 413 P CB 0.068 31.780 31.700 0.018 0.000 0.837 414 V N -0.424 119.495 119.914 0.007 0.000 2.339 414 V HA -0.072 4.057 4.120 0.015 0.000 0.234 414 V C 1.997 178.094 176.094 0.004 0.000 1.053 414 V CA 1.736 64.039 62.300 0.004 0.000 1.042 414 V CB -1.104 30.718 31.823 -0.003 0.000 0.678 414 V HN -0.046 nan 8.190 nan 0.000 0.475 415 V N -1.343 118.570 119.914 -0.001 0.000 3.271 415 V HA 0.742 4.871 4.120 0.015 0.000 0.327 415 V C 0.706 176.805 176.094 0.008 0.000 1.389 415 V CA -0.145 62.154 62.300 -0.000 0.000 1.156 415 V CB -0.931 30.886 31.823 -0.010 0.000 1.103 415 V HN 0.961 nan 8.190 nan 0.000 0.453 416 G N 0.008 108.821 108.800 0.021 0.000 2.755 416 G HA2 -0.330 3.639 3.960 0.015 0.000 0.686 416 G HA3 -0.330 3.639 3.960 0.015 0.000 0.686 416 G C -0.190 174.749 174.900 0.065 0.000 1.427 416 G CA 0.260 45.392 45.100 0.052 0.000 0.873 416 G HN 0.597 nan 8.290 nan 0.000 0.580 417 Y N 1.419 121.718 120.300 -0.002 0.000 2.114 417 Y HA -0.044 4.515 4.550 0.015 0.000 0.282 417 Y C 3.023 178.922 175.900 -0.002 0.000 1.165 417 Y CA 3.671 61.770 58.100 -0.003 0.000 1.148 417 Y CB -0.488 37.971 38.460 -0.003 0.000 0.972 417 Y HN 1.058 nan 8.280 nan 0.000 0.504 418 A N 0.595 123.523 122.820 0.180 0.000 1.865 418 A HA -0.236 4.093 4.320 0.015 0.000 0.217 418 A C 2.247 179.826 177.584 -0.008 0.000 1.191 418 A CA 2.159 54.264 52.037 0.112 0.000 0.623 418 A CB -0.708 18.359 19.000 0.111 0.000 0.826 418 A HN 0.569 nan 8.150 nan 0.000 0.444 419 R N -0.477 120.015 120.500 -0.012 0.000 2.092 419 R HA 0.003 4.352 4.340 0.015 0.000 0.231 419 R C 2.408 178.668 176.300 -0.067 0.000 1.119 419 R CA 1.107 57.189 56.100 -0.029 0.000 0.970 419 R CB -0.461 29.830 30.300 -0.014 0.000 0.864 419 R HN 0.509 nan 8.270 nan 0.000 0.440 420 A N 1.453 124.208 122.820 -0.108 0.000 1.930 420 A HA -0.054 4.275 4.320 0.015 0.000 0.217 420 A C 2.396 179.858 177.584 -0.204 0.000 1.175 420 A CA 1.492 53.440 52.037 -0.150 0.000 0.627 420 A CB -0.605 18.291 19.000 -0.172 0.000 0.815 420 A HN 0.370 nan 8.150 nan 0.000 0.443 421 A N -0.266 122.374 122.820 -0.301 0.000 1.933 421 A HA -0.168 4.161 4.320 0.015 0.000 0.218 421 A C 1.945 179.458 177.584 -0.118 0.000 1.175 421 A CA 2.127 54.006 52.037 -0.262 0.000 0.628 421 A CB -0.451 18.384 19.000 -0.274 0.000 0.814 421 A HN 0.548 nan 8.150 nan 0.000 0.444 422 E N 0.010 120.160 120.200 -0.083 0.000 2.106 422 E HA -0.105 4.254 4.350 0.015 0.000 0.192 422 E C 1.646 178.220 176.600 -0.045 0.000 0.984 422 E CA 1.226 57.599 56.400 -0.045 0.000 0.806 422 E CB -0.308 29.375 29.700 -0.028 0.000 0.750 422 E HN 0.656 nan 8.360 nan 0.000 0.458 423 I N -0.013 120.523 120.570 -0.057 0.000 2.286 423 I HA -0.174 4.005 4.170 0.015 0.000 0.245 423 I C 2.294 178.383 176.117 -0.048 0.000 1.104 423 I CA 0.810 62.082 61.300 -0.047 0.000 1.397 423 I CB -0.298 37.673 38.000 -0.048 0.000 1.072 423 I HN 0.187 nan 8.210 nan 0.000 0.417 424 A N 0.749 123.530 122.820 -0.065 0.000 1.873 424 A HA -0.289 4.040 4.320 0.015 0.000 0.218 424 A C 2.318 179.878 177.584 -0.040 0.000 1.193 424 A CA 1.979 53.981 52.037 -0.058 0.000 0.629 424 A CB -0.560 18.392 19.000 -0.081 0.000 0.826 424 A HN 0.291 nan 8.150 nan 0.000 0.447 425 K N -0.867 119.511 120.400 -0.038 0.000 2.147 425 K HA -0.142 4.187 4.320 0.015 0.000 0.205 425 K C 2.394 178.983 176.600 -0.019 0.000 1.049 425 K CA 1.517 57.789 56.287 -0.023 0.000 0.936 425 K CB -0.132 32.357 32.500 -0.018 0.000 0.722 425 K HN 0.639 nan 8.250 nan 0.000 0.446 426 Q N -0.408 119.379 119.800 -0.021 0.000 2.083 426 Q HA -0.093 4.256 4.340 0.015 0.000 0.198 426 Q C 2.166 178.157 176.000 -0.015 0.000 0.969 426 Q CA 1.216 57.009 55.803 -0.016 0.000 0.838 426 Q CB -0.074 28.654 28.738 -0.016 0.000 0.900 426 Q HN 0.309 nan 8.270 nan 0.000 0.436 427 A N 1.303 124.112 122.820 -0.019 0.000 1.865 427 A HA -0.196 4.133 4.320 0.015 0.000 0.217 427 A C 2.535 180.110 177.584 -0.014 0.000 1.191 427 A CA 2.060 54.087 52.037 -0.017 0.000 0.623 427 A CB -1.526 17.462 19.000 -0.020 0.000 0.826 427 A HN 0.367 nan 8.150 nan 0.000 0.444 428 L N -1.325 119.889 121.223 -0.015 0.000 2.079 428 L HA 0.200 4.549 4.340 0.015 0.000 0.210 428 L C 2.857 179.722 176.870 -0.009 0.000 1.081 428 L CA 2.815 57.648 54.840 -0.012 0.000 0.752 428 L CB -2.077 39.975 42.059 -0.012 0.000 0.896 428 L HN 0.723 nan 8.230 nan 0.000 0.433 429 A N -0.579 122.236 122.820 -0.009 0.000 2.021 429 A HA 0.090 4.418 4.320 0.015 0.000 0.216 429 A C 2.517 180.097 177.584 -0.006 0.000 1.163 429 A CA 1.529 53.561 52.037 -0.007 0.000 0.676 429 A CB -0.413 18.583 19.000 -0.006 0.000 0.818 429 A HN 1.187 nan 8.150 nan 0.000 0.453 430 S N -2.319 113.377 115.700 -0.008 0.000 2.539 430 S HA 0.410 4.888 4.470 0.015 0.000 0.221 430 S C 1.281 175.877 174.600 -0.006 0.000 0.987 430 S CA 0.945 59.141 58.200 -0.007 0.000 0.929 430 S CB -0.087 63.109 63.200 -0.007 0.000 0.832 430 S HN 1.796 nan 8.310 nan 0.000 0.492 431 G N 1.212 110.008 108.800 -0.007 0.000 2.179 431 G HA2 -0.262 3.707 3.960 0.015 0.000 0.257 431 G HA3 -0.262 3.707 3.960 0.015 0.000 0.257 431 G C -0.192 174.704 174.900 -0.007 0.000 1.010 431 G CA 0.416 45.512 45.100 -0.007 0.000 0.736 431 G HN 0.632 nan 8.290 nan 0.000 0.513 432 Q N 0.022 119.817 119.800 -0.008 0.000 2.204 432 Q HA 0.568 4.917 4.340 0.015 0.000 0.254 432 Q C 0.560 176.554 176.000 -0.010 0.000 0.981 432 Q CA -0.283 55.515 55.803 -0.009 0.000 0.897 432 Q CB 1.038 29.770 28.738 -0.009 0.000 1.273 432 Q HN 0.314 nan 8.270 nan 0.000 0.464 433 T N -0.267 114.281 114.554 -0.010 0.000 2.813 433 T HA 0.023 4.382 4.350 0.015 0.000 0.297 433 T C 1.501 176.193 174.700 -0.014 0.000 1.036 433 T CA -0.652 61.441 62.100 -0.011 0.000 1.044 433 T CB 0.665 69.527 68.868 -0.010 0.000 0.993 433 T HN 0.352 nan 8.240 nan 0.000 0.535 434 V N 1.244 121.148 119.914 -0.017 0.000 2.332 434 V HA -0.215 3.914 4.120 0.015 0.000 0.248 434 V C 2.533 178.617 176.094 -0.018 0.000 1.055 434 V CA 2.164 64.451 62.300 -0.021 0.000 1.038 434 V CB -0.858 30.950 31.823 -0.025 0.000 0.651 434 V HN 0.850 nan 8.190 nan 0.000 0.450 435 M N 0.390 119.981 119.600 -0.014 0.000 2.082 435 M HA -0.251 4.238 4.480 0.015 0.000 0.258 435 M C 2.037 178.331 176.300 -0.010 0.000 1.071 435 M CA 2.187 57.480 55.300 -0.011 0.000 1.103 435 M CB -0.565 32.030 32.600 -0.008 0.000 1.307 435 M HN 0.336 nan 8.290 nan 0.000 0.409 436 E N -0.988 119.206 120.200 -0.010 0.000 2.049 436 E HA -0.222 4.137 4.350 0.015 0.000 0.198 436 E C 1.883 178.477 176.600 -0.010 0.000 1.007 436 E CA 1.997 58.391 56.400 -0.009 0.000 0.809 436 E CB -0.335 29.360 29.700 -0.008 0.000 0.749 436 E HN 0.426 nan 8.360 nan 0.000 0.450 437 V N 0.762 120.669 119.914 -0.013 0.000 2.490 437 V HA -0.260 3.869 4.120 0.015 0.000 0.250 437 V C 2.138 178.223 176.094 -0.015 0.000 1.061 437 V CA 1.771 64.062 62.300 -0.014 0.000 1.064 437 V CB -0.546 31.266 31.823 -0.018 0.000 0.670 437 V HN 0.349 nan 8.190 nan 0.000 0.461 438 A N 0.030 122.840 122.820 -0.015 0.000 1.930 438 A HA -0.046 4.283 4.320 0.015 0.000 0.215 438 A C 2.100 179.677 177.584 -0.011 0.000 1.176 438 A CA 1.320 53.348 52.037 -0.015 0.000 0.632 438 A CB -0.424 18.566 19.000 -0.017 0.000 0.819 438 A HN 0.523 nan 8.150 nan 0.000 0.445 439 I N -0.610 119.955 120.570 -0.009 0.000 2.361 439 I HA -0.203 3.975 4.170 0.015 0.000 0.251 439 I C 2.650 178.764 176.117 -0.007 0.000 1.133 439 I CA 1.196 62.492 61.300 -0.007 0.000 1.413 439 I CB -0.451 37.546 38.000 -0.006 0.000 1.073 439 I HN 0.339 nan 8.210 nan 0.000 0.424 440 S N 1.223 116.918 115.700 -0.008 0.000 2.381 440 S HA -0.315 4.164 4.470 0.015 0.000 0.230 440 S C 2.133 176.729 174.600 -0.007 0.000 1.052 440 S CA 2.484 60.680 58.200 -0.007 0.000 1.068 440 S CB -0.291 62.904 63.200 -0.008 0.000 0.918 440 S HN 0.548 nan 8.310 nan 0.000 0.448 441 K N -0.138 120.257 120.400 -0.008 0.000 2.437 441 K HA 0.483 4.812 4.320 0.015 0.000 0.198 441 K C 1.253 177.850 176.600 -0.006 0.000 1.024 441 K CA 0.931 57.214 56.287 -0.008 0.000 1.148 441 K CB -1.112 31.382 32.500 -0.010 0.000 0.860 441 K HN 1.088 nan 8.250 nan 0.000 0.515 442 G N -0.438 108.359 108.800 -0.005 0.000 2.179 442 G HA2 -0.156 3.813 3.960 0.015 0.000 0.220 442 G HA3 -0.156 3.813 3.960 0.015 0.000 0.220 442 G C 0.148 175.046 174.900 -0.004 0.000 0.990 442 G CA 0.037 45.135 45.100 -0.004 0.000 0.646 442 G HN 0.402 nan 8.290 nan 0.000 0.517 443 L N 1.347 122.567 121.223 -0.005 0.000 2.395 443 L HA 0.393 4.741 4.340 0.015 0.000 0.269 443 L C 0.199 177.067 176.870 -0.004 0.000 1.133 443 L CA -0.801 54.036 54.840 -0.005 0.000 0.812 443 L CB 0.608 42.663 42.059 -0.007 0.000 1.125 443 L HN 0.011 nan 8.230 nan 0.000 0.452 444 D N 1.578 121.976 120.400 -0.003 0.000 2.401 444 D HA 0.078 4.726 4.640 0.015 0.000 0.254 444 D C 0.745 177.043 176.300 -0.002 0.000 1.192 444 D CA 0.258 54.257 54.000 -0.002 0.000 0.885 444 D CB 1.822 42.621 40.800 -0.001 0.000 1.147 444 D HN 0.664 nan 8.370 nan 0.000 0.478 445 A N 3.173 125.991 122.820 -0.002 0.000 1.927 445 A HA -0.247 4.081 4.320 0.015 0.000 0.220 445 A C 2.317 179.901 177.584 -0.001 0.000 1.185 445 A CA 2.014 54.050 52.037 -0.002 0.000 0.639 445 A CB -0.442 18.557 19.000 -0.002 0.000 0.820 445 A HN 0.555 nan 8.150 nan 0.000 0.451 446 S N -0.856 114.844 115.700 -0.000 0.000 2.359 446 S HA -0.157 4.322 4.470 0.015 0.000 0.223 446 S C 2.181 176.782 174.600 0.002 0.000 1.039 446 S CA 1.876 60.076 58.200 0.001 0.000 1.042 446 S CB -0.459 62.741 63.200 0.001 0.000 0.915 446 S HN 0.896 nan 8.310 nan 0.000 0.439 447 A N 0.539 123.359 122.820 0.001 0.000 1.968 447 A HA 0.154 4.482 4.320 0.015 0.000 0.217 447 A C 2.124 179.709 177.584 0.002 0.000 1.169 447 A CA 0.942 52.980 52.037 0.002 0.000 0.638 447 A CB -0.512 18.489 19.000 0.002 0.000 0.812 447 A HN 0.545 nan 8.150 nan 0.000 0.446 448 L N -0.520 120.703 121.223 -0.000 0.000 2.109 448 L HA -0.123 4.226 4.340 0.015 0.000 0.207 448 L C 2.689 179.559 176.870 0.000 0.000 1.086 448 L CA 1.589 56.428 54.840 -0.001 0.000 0.760 448 L CB -0.910 41.147 42.059 -0.004 0.000 0.910 448 L HN 0.349 nan 8.230 nan 0.000 0.437 449 T N 0.269 114.824 114.554 0.002 0.000 2.737 449 T HA -0.190 4.169 4.350 0.015 0.000 0.269 449 T C 1.818 176.522 174.700 0.007 0.000 1.040 449 T CA 1.531 63.633 62.100 0.003 0.000 1.142 449 T CB -0.254 68.616 68.868 0.004 0.000 0.861 449 T HN 0.212 nan 8.240 nan 0.000 0.456 450 I N 0.167 120.741 120.570 0.008 0.000 2.235 450 I HA -0.015 4.164 4.170 0.015 0.000 0.241 450 I C 2.607 178.732 176.117 0.013 0.000 1.085 450 I CA 1.060 62.367 61.300 0.012 0.000 1.378 450 I CB -0.305 37.701 38.000 0.011 0.000 1.076 450 I HN 0.136 nan 8.210 nan 0.000 0.415 451 M N 0.082 119.688 119.600 0.009 0.000 2.175 451 M HA -0.113 4.376 4.480 0.015 0.000 0.264 451 M C 1.319 177.622 176.300 0.005 0.000 1.063 451 M CA 1.606 56.911 55.300 0.008 0.000 1.119 451 M CB -0.033 32.569 32.600 0.003 0.000 1.377 451 M HN 0.189 nan 8.290 nan 0.000 0.415 452 L N -0.357 120.867 121.223 0.002 0.000 2.848 452 L HA 0.176 4.525 4.340 0.015 0.000 0.240 452 L C -0.101 176.771 176.870 0.002 0.000 1.232 452 L CA -0.565 54.274 54.840 -0.002 0.000 1.031 452 L CB -0.557 41.498 42.059 -0.006 0.000 1.338 452 L HN -0.000 nan 8.230 nan 0.000 0.509 453 D N 1.629 122.035 120.400 0.010 0.000 2.343 453 D HA 0.112 4.761 4.640 0.015 0.000 0.255 453 D C -1.315 174.994 176.300 0.016 0.000 1.187 453 D CA -1.995 52.014 54.000 0.016 0.000 0.875 453 D CB 1.485 42.301 40.800 0.026 0.000 1.136 453 D HN -0.089 nan 8.370 nan 0.000 0.469 454 P HA -0.118 nan 4.420 nan 0.000 0.221 454 P C 1.521 178.820 177.300 -0.002 0.000 1.150 454 P CA 0.341 63.438 63.100 -0.004 0.000 0.800 454 P CB 0.273 31.967 31.700 -0.010 0.000 0.787 455 L N 0.230 121.472 121.223 0.032 0.000 2.156 455 L HA 0.002 4.350 4.340 0.015 0.000 0.208 455 L C 2.631 179.587 176.870 0.143 0.000 1.095 455 L CA 1.622 56.511 54.840 0.080 0.000 0.770 455 L CB -0.870 41.259 42.059 0.117 0.000 0.914 455 L HN -0.237 nan 8.230 nan 0.000 0.439 456 R N -0.002 120.562 120.500 0.107 0.000 2.092 456 R HA -0.099 4.250 4.340 0.015 0.000 0.231 456 R C 1.930 178.279 176.300 0.082 0.000 1.119 456 R CA 2.122 58.293 56.100 0.118 0.000 0.970 456 R CB -0.688 29.655 30.300 0.071 0.000 0.864 456 R HN 0.439 nan 8.270 nan 0.000 0.440 457 M N -0.079 119.534 119.600 0.023 0.000 2.374 457 M HA 0.048 4.537 4.480 0.015 0.000 0.264 457 M C 2.052 178.307 176.300 -0.075 0.000 1.067 457 M CA 1.484 56.776 55.300 -0.015 0.000 1.103 457 M CB -0.087 32.498 32.600 -0.025 0.000 1.402 457 M HN 0.349 nan 8.290 nan 0.000 0.444 458 A N -0.081 122.647 122.820 -0.153 0.000 2.016 458 A HA 0.081 4.410 4.320 0.015 0.000 0.217 458 A C 0.520 177.747 177.584 -0.596 0.000 1.162 458 A CA 0.830 52.622 52.037 -0.408 0.000 0.662 458 A CB -0.138 18.523 19.000 -0.566 0.000 0.812 458 A HN 0.320 nan 8.150 nan 0.000 0.450 459 F N -0.625 119.326 119.950 0.001 0.000 2.523 459 F HA 0.583 5.119 4.527 0.015 0.000 0.329 459 F C -2.030 173.770 175.800 0.001 0.000 1.061 459 F CA -2.660 55.341 58.000 0.001 0.000 0.967 459 F CB 0.572 39.574 39.000 0.003 0.000 1.218 459 F HN -0.108 nan 8.300 nan 0.000 0.480 460 P HA 0.000 nan 4.420 nan 0.000 0.216 460 P CA 0.000 63.168 63.100 0.113 0.000 0.800 460 P CB 0.000 31.750 31.700 0.084 0.000 0.726