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_B 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 P 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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.046 0.000 1.302 2 T N -0.832 113.694 114.554 -0.047 0.000 2.907 2 T HA 0.991 5.351 4.350 0.016 0.000 0.290 2 T C -0.251 174.413 174.700 -0.061 0.000 1.066 2 T CA -0.361 61.708 62.100 -0.052 0.000 1.012 2 T CB 1.803 70.651 68.868 -0.033 0.000 1.184 2 T HN 1.847 nan 8.240 nan 0.000 0.522 3 R N 0.000 120.460 120.500 -0.068 0.000 2.919 3 R HA 0.763 5.113 4.340 0.016 0.000 0.260 3 R C -0.874 175.400 176.300 -0.044 0.000 1.067 3 R CA -1.261 54.799 56.100 -0.068 0.000 1.003 3 R CB 1.634 31.874 30.300 -0.100 0.000 1.192 3 R HN 0.689 nan 8.270 nan 0.000 0.488 4 R N 0.888 121.366 120.500 -0.036 0.000 2.343 4 R HA 0.268 4.618 4.340 0.016 0.000 0.320 4 R C -0.991 175.312 176.300 0.004 0.000 0.956 4 R CA -0.255 55.838 56.100 -0.012 0.000 0.836 4 R CB 1.436 31.730 30.300 -0.010 0.000 1.151 4 R HN 0.734 nan 8.270 nan 0.000 0.450 5 E N 2.122 122.341 120.200 0.033 0.000 2.339 5 E HA 0.250 4.610 4.350 0.016 0.000 0.262 5 E C -1.310 175.331 176.600 0.068 0.000 0.934 5 E CA -1.030 55.417 56.400 0.079 0.000 0.802 5 E CB 2.544 32.326 29.700 0.136 0.000 1.275 5 E HN 0.423 nan 8.360 nan 0.000 0.427 6 Q N 1.770 121.621 119.800 0.085 0.000 2.285 6 Q HA 0.230 4.580 4.340 0.016 0.000 0.269 6 Q C -1.869 174.161 176.000 0.051 0.000 1.030 6 Q CA -0.580 55.258 55.803 0.059 0.000 0.788 6 Q CB 1.388 30.160 28.738 0.058 0.000 1.266 6 Q HN 0.566 nan 8.270 nan 0.000 0.438 7 D N 0.480 120.899 120.400 0.032 0.000 2.654 7 D HA 0.203 4.853 4.640 0.016 0.000 0.255 7 D C 0.495 176.807 176.300 0.021 0.000 1.101 7 D CA -0.258 53.755 54.000 0.022 0.000 1.116 7 D CB 0.605 41.408 40.800 0.005 0.000 1.348 7 D HN 0.396 nan 8.370 nan 0.000 0.609 8 S N -1.239 114.471 115.700 0.018 0.000 2.595 8 S HA -0.025 4.455 4.470 0.016 0.000 0.235 8 S C 1.205 175.810 174.600 0.009 0.000 0.974 8 S CA 0.314 58.523 58.200 0.015 0.000 0.942 8 S CB -0.781 62.428 63.200 0.015 0.000 0.766 8 S HN 0.495 nan 8.310 nan 0.000 0.536 9 L N 0.052 121.279 121.223 0.006 0.000 2.731 9 L HA 0.498 4.848 4.340 0.016 0.000 0.240 9 L C 1.261 178.133 176.870 0.003 0.000 1.120 9 L CA 0.193 55.034 54.840 0.002 0.000 0.913 9 L CB 0.342 42.398 42.059 -0.005 0.000 1.213 9 L HN 0.592 nan 8.230 nan 0.000 0.515 10 G N 0.141 108.946 108.800 0.008 0.000 2.293 10 G HA2 -0.036 3.934 3.960 0.016 0.000 0.282 10 G HA3 -0.036 3.934 3.960 0.016 0.000 0.282 10 G C -1.430 173.478 174.900 0.014 0.000 1.299 10 G CA -0.858 44.248 45.100 0.010 0.000 1.018 10 G HN -0.004 nan 8.290 nan 0.000 0.478 11 E N 0.084 120.291 120.200 0.013 0.000 2.212 11 E HA 0.774 5.134 4.350 0.016 0.000 0.270 11 E C -0.243 176.365 176.600 0.014 0.000 0.956 11 E CA -0.858 55.552 56.400 0.017 0.000 0.825 11 E CB 1.679 31.387 29.700 0.014 0.000 1.167 11 E HN 0.402 nan 8.360 nan 0.000 0.400 12 R N 1.060 121.571 120.500 0.019 0.000 2.764 12 R HA 0.331 4.680 4.340 0.016 0.000 0.270 12 R C -1.520 174.791 176.300 0.018 0.000 1.014 12 R CA -0.848 55.263 56.100 0.018 0.000 0.904 12 R CB 1.368 31.682 30.300 0.024 0.000 1.236 12 R HN 0.503 nan 8.270 nan 0.000 0.466 13 D N 1.697 122.106 120.400 0.014 0.000 2.373 13 D HA 0.356 5.006 4.640 0.016 0.000 0.227 13 D C -0.053 176.255 176.300 0.013 0.000 1.091 13 D CA -0.350 53.653 54.000 0.006 0.000 0.840 13 D CB 1.282 42.081 40.800 -0.002 0.000 1.060 13 D HN 0.197 nan 8.370 nan 0.000 0.502 14 I N 3.689 124.260 120.570 0.001 0.000 2.440 14 I HA 0.218 4.398 4.170 0.016 0.000 0.294 14 I C -2.096 173.985 176.117 -0.061 0.000 0.995 14 I CA -2.112 59.183 61.300 -0.009 0.000 1.306 14 I CB 0.997 38.983 38.000 -0.024 0.000 1.407 14 I HN 0.046 nan 8.210 nan 0.000 0.501 15 P HA -0.002 nan 4.420 nan 0.000 0.265 15 P C 0.592 177.798 177.300 -0.158 0.000 1.187 15 P CA -0.112 62.932 63.100 -0.093 0.000 0.766 15 P CB 0.431 32.087 31.700 -0.074 0.000 0.820 16 M N 3.773 123.295 119.600 -0.131 0.000 2.108 16 M HA -0.207 4.283 4.480 0.016 0.000 0.261 16 M C 0.873 177.043 176.300 -0.216 0.000 1.066 16 M CA 2.121 57.330 55.300 -0.153 0.000 1.107 16 M CB -0.784 31.747 32.600 -0.115 0.000 1.356 16 M HN 0.302 nan 8.290 nan 0.000 0.406 17 D N -0.342 119.927 120.400 -0.217 0.000 2.349 17 D HA 0.232 4.882 4.640 0.016 0.000 0.214 17 D C 0.498 176.577 176.300 -0.369 0.000 1.063 17 D CA 0.399 54.233 54.000 -0.277 0.000 0.847 17 D CB -0.993 39.704 40.800 -0.171 0.000 0.933 17 D HN 0.367 nan 8.370 nan 0.000 0.513 18 A N 0.042 122.625 122.820 -0.395 0.000 2.540 18 A HA 0.109 4.439 4.320 0.016 0.000 0.239 18 A C 0.110 177.355 177.584 -0.565 0.000 1.061 18 A CA -0.053 51.621 52.037 -0.604 0.000 0.758 18 A CB -0.026 18.325 19.000 -1.081 0.000 0.991 18 A HN 0.235 nan 8.150 nan 0.000 0.502 19 Y N 1.743 121.797 120.300 -0.411 0.000 2.476 19 Y HA 0.112 4.671 4.550 0.017 0.000 0.283 19 Y C 0.986 176.790 175.900 -0.159 0.000 1.109 19 Y CA 0.585 58.559 58.100 -0.210 0.000 1.246 19 Y CB -0.183 38.219 38.460 -0.097 0.000 1.068 19 Y HN 0.766 nan 8.280 nan 0.000 0.552 20 F N -0.292 119.689 119.950 0.052 0.000 2.435 20 F HA 0.607 5.144 4.527 0.017 0.000 0.316 20 F C 0.772 176.582 175.800 0.017 0.000 1.220 20 F CA -0.760 57.227 58.000 -0.022 0.000 1.241 20 F CB -0.127 38.825 39.000 -0.081 0.000 1.234 20 F HN -0.099 nan 8.300 nan 0.000 0.569 21 G N 0.005 108.991 108.800 0.310 0.000 3.262 21 G HA2 0.379 4.348 3.960 0.016 0.000 0.229 21 G HA3 0.379 4.348 3.960 0.016 0.000 0.229 21 G C 0.104 175.132 174.900 0.213 0.000 1.280 21 G CA -0.453 44.768 45.100 0.201 0.000 0.951 21 G HN 0.987 nan 8.290 nan 0.000 0.589 22 I N -0.510 120.130 120.570 0.116 0.000 2.226 22 I HA -0.151 4.029 4.170 0.016 0.000 0.245 22 I C 2.681 178.828 176.117 0.049 0.000 1.100 22 I CA 1.722 63.072 61.300 0.083 0.000 1.374 22 I CB 0.024 38.057 38.000 0.056 0.000 1.057 22 I HN 0.577 nan 8.210 nan 0.000 0.413 23 Q N -0.115 119.696 119.800 0.017 0.000 2.084 23 Q HA -0.192 4.158 4.340 0.016 0.000 0.202 23 Q C 2.037 178.036 176.000 -0.001 0.000 0.978 23 Q CA 2.578 58.379 55.803 -0.003 0.000 0.844 23 Q CB -0.078 28.646 28.738 -0.023 0.000 0.898 23 Q HN 0.522 nan 8.270 nan 0.000 0.426 24 T N 0.799 115.363 114.554 0.016 0.000 2.857 24 T HA -0.111 4.249 4.350 0.016 0.000 0.266 24 T C 1.674 176.299 174.700 -0.125 0.000 1.048 24 T CA 0.839 62.900 62.100 -0.065 0.000 1.139 24 T CB -0.191 68.613 68.868 -0.107 0.000 0.874 24 T HN 0.188 nan 8.240 nan 0.000 0.455 25 L N 1.215 122.438 121.223 0.000 0.000 2.042 25 L HA -0.072 4.278 4.340 0.016 0.000 0.210 25 L C 2.517 179.357 176.870 -0.050 0.000 1.076 25 L CA 1.714 56.556 54.840 0.004 0.000 0.749 25 L CB -0.267 41.878 42.059 0.143 0.000 0.893 25 L HN 0.058 nan 8.230 nan 0.000 0.432 26 R N -0.480 119.992 120.500 -0.047 0.000 2.081 26 R HA -0.088 4.262 4.340 0.016 0.000 0.235 26 R C 2.291 178.497 176.300 -0.157 0.000 1.131 26 R CA 1.255 57.302 56.100 -0.089 0.000 0.960 26 R CB -0.719 29.537 30.300 -0.075 0.000 0.856 26 R HN 0.530 nan 8.270 nan 0.000 0.436 27 A N 0.789 123.536 122.820 -0.122 0.000 1.972 27 A HA -0.099 4.231 4.320 0.016 0.000 0.219 27 A C 2.304 179.828 177.584 -0.099 0.000 1.169 27 A CA 1.220 53.190 52.037 -0.112 0.000 0.635 27 A CB -0.385 18.661 19.000 0.077 0.000 0.810 27 A HN 0.119 nan 8.150 nan 0.000 0.446 28 V N -0.059 119.788 119.914 -0.112 0.000 2.515 28 V HA -0.235 3.895 4.120 0.016 0.000 0.250 28 V C 2.268 178.304 176.094 -0.098 0.000 1.058 28 V CA 2.211 64.449 62.300 -0.103 0.000 1.064 28 V CB -0.705 31.022 31.823 -0.160 0.000 0.675 28 V HN 0.654 nan 8.190 nan 0.000 0.461 29 E N -0.172 119.950 120.200 -0.130 0.000 2.170 29 E HA -0.086 4.274 4.350 0.016 0.000 0.191 29 E C 1.957 178.434 176.600 -0.204 0.000 0.981 29 E CA 0.617 56.940 56.400 -0.130 0.000 0.830 29 E CB -0.097 29.537 29.700 -0.109 0.000 0.775 29 E HN 0.520 nan 8.360 nan 0.000 0.470 30 N N 0.046 118.518 118.700 -0.380 0.000 2.300 30 N HA -0.053 4.697 4.740 0.016 0.000 0.179 30 N C 0.195 175.313 175.510 -0.654 0.000 1.016 30 N CA 0.880 53.525 53.050 -0.676 0.000 0.876 30 N CB 0.194 37.967 38.487 -1.191 0.000 0.979 30 N HN 0.079 nan 8.380 nan 0.000 0.432 31 F N -0.247 119.689 119.950 -0.023 0.000 2.881 31 F HA 0.321 4.858 4.527 0.017 0.000 0.343 31 F C 0.582 176.368 175.800 -0.022 0.000 1.233 31 F CA -1.025 56.968 58.000 -0.013 0.000 1.262 31 F CB -0.093 38.905 39.000 -0.003 0.000 0.980 31 F HN -0.310 nan 8.300 nan 0.000 0.506 32 S N 1.375 117.119 115.700 0.073 0.000 2.494 32 S HA 0.469 4.949 4.470 0.016 0.000 0.312 32 S C 0.838 175.444 174.600 0.010 0.000 1.121 32 S CA 0.002 58.218 58.200 0.027 0.000 1.068 32 S CB -0.124 63.070 63.200 -0.011 0.000 1.141 32 S HN 0.479 nan 8.310 nan 0.000 0.527 33 L N 3.550 124.770 121.223 -0.005 0.000 2.713 33 L HA 0.213 4.563 4.340 0.016 0.000 0.223 33 L C 2.016 178.787 176.870 -0.165 0.000 1.040 33 L CA 0.290 55.082 54.840 -0.080 0.000 0.894 33 L CB -0.244 41.766 42.059 -0.082 0.000 1.361 33 L HN 0.655 nan 8.230 nan 0.000 0.490 34 S N -3.226 112.385 115.700 -0.148 0.000 2.549 34 S HA 0.076 4.556 4.470 0.016 0.000 0.225 34 S C 0.442 174.978 174.600 -0.108 0.000 1.039 34 S CA 0.108 58.201 58.200 -0.178 0.000 0.942 34 S CB 0.442 63.545 63.200 -0.161 0.000 0.881 34 S HN 0.295 nan 8.310 nan 0.000 0.503 35 D N 0.598 120.948 120.400 -0.084 0.000 2.983 35 D HA -0.107 4.542 4.640 0.016 0.000 0.225 35 D C -0.776 175.411 176.300 -0.189 0.000 1.174 35 D CA 0.802 54.749 54.000 -0.087 0.000 0.831 35 D CB -1.717 39.048 40.800 -0.058 0.000 1.104 35 D HN 0.442 nan 8.370 nan 0.000 0.421 36 V N 0.245 120.028 119.914 -0.219 0.000 2.334 36 V HA 0.677 4.807 4.120 0.016 0.000 0.281 36 V C 0.756 176.704 176.094 -0.243 0.000 1.016 36 V CA -0.311 61.738 62.300 -0.419 0.000 0.832 36 V CB 1.544 33.163 31.823 -0.340 0.000 0.999 36 V HN 0.297 nan 8.190 nan 0.000 0.439 37 A N 3.764 126.504 122.820 -0.133 0.000 2.248 37 A HA 0.695 5.025 4.320 0.016 0.000 0.316 37 A C 0.894 178.555 177.584 0.129 0.000 1.101 37 A CA -0.555 51.515 52.037 0.055 0.000 0.875 37 A CB 0.576 19.652 19.000 0.127 0.000 1.207 37 A HN 0.669 nan 8.150 nan 0.000 0.504 38 L N 0.542 121.840 121.223 0.125 0.000 2.187 38 L HA -0.184 4.166 4.340 0.016 0.000 0.213 38 L C 1.902 178.850 176.870 0.130 0.000 1.100 38 L CA 2.623 57.539 54.840 0.127 0.000 0.765 38 L CB -1.136 41.034 42.059 0.184 0.000 0.904 38 L HN 0.916 nan 8.230 nan 0.000 0.437 39 N N -2.963 115.843 118.700 0.176 0.000 2.515 39 N HA -0.161 4.589 4.740 0.016 0.000 0.185 39 N C 1.583 177.124 175.510 0.050 0.000 1.109 39 N CA 1.018 54.130 53.050 0.103 0.000 0.903 39 N CB -0.764 37.794 38.487 0.118 0.000 0.969 39 N HN 0.490 nan 8.380 nan 0.000 0.450 40 H N 0.198 119.299 119.070 0.051 0.000 2.529 40 H HA 0.118 4.683 4.556 0.016 0.000 0.277 40 H C 0.408 175.780 175.328 0.074 0.000 0.999 40 H CA 0.845 56.933 56.048 0.067 0.000 1.256 40 H CB 0.473 30.288 29.762 0.087 0.000 1.402 40 H HN 0.438 nan 8.280 nan 0.000 0.566 41 I N -0.655 120.009 120.570 0.157 0.000 2.886 41 I HA 0.236 4.416 4.170 0.016 0.000 0.311 41 I C -2.119 174.001 176.117 0.005 0.000 1.287 41 I CA -2.026 59.328 61.300 0.091 0.000 0.995 41 I CB 1.105 39.175 38.000 0.117 0.000 1.962 41 I HN -0.244 nan 8.210 nan 0.000 0.586 42 P HA -0.244 nan 4.420 nan 0.000 0.218 42 P C 1.578 178.818 177.300 -0.101 0.000 1.146 42 P CA 1.807 64.861 63.100 -0.077 0.000 0.813 42 P CB 0.349 32.011 31.700 -0.063 0.000 0.778 43 A N -0.492 122.284 122.820 -0.073 0.000 2.015 43 A HA -0.123 4.207 4.320 0.016 0.000 0.219 43 A C 2.162 179.679 177.584 -0.113 0.000 1.163 43 A CA 1.185 53.172 52.037 -0.084 0.000 0.646 43 A CB -1.369 17.591 19.000 -0.066 0.000 0.806 43 A HN 0.215 nan 8.150 nan 0.000 0.448 44 L N -0.285 120.869 121.223 -0.116 0.000 2.131 44 L HA -0.023 4.327 4.340 0.016 0.000 0.206 44 L C 2.276 179.048 176.870 -0.164 0.000 1.087 44 L CA 1.556 56.312 54.840 -0.140 0.000 0.767 44 L CB -0.383 41.605 42.059 -0.119 0.000 0.917 44 L HN 0.126 nan 8.230 nan 0.000 0.441 45 V N 0.182 119.962 119.914 -0.224 0.000 2.287 45 V HA -0.313 3.817 4.120 0.016 0.000 0.248 45 V C 2.703 178.614 176.094 -0.306 0.000 1.053 45 V CA 2.268 64.320 62.300 -0.414 0.000 1.027 45 V CB -0.874 30.559 31.823 -0.650 0.000 0.646 45 V HN 0.447 nan 8.190 nan 0.000 0.447 46 R N 0.292 120.665 120.500 -0.213 0.000 2.091 46 R HA -0.154 4.196 4.340 0.016 0.000 0.238 46 R C 2.471 178.704 176.300 -0.110 0.000 1.136 46 R CA 1.574 57.589 56.100 -0.142 0.000 0.959 46 R CB -0.692 29.545 30.300 -0.106 0.000 0.856 46 R HN 0.555 nan 8.270 nan 0.000 0.437 47 A N 1.172 123.922 122.820 -0.115 0.000 1.877 47 A HA -0.135 4.195 4.320 0.016 0.000 0.216 47 A C 2.196 179.732 177.584 -0.079 0.000 1.186 47 A CA 1.165 53.143 52.037 -0.099 0.000 0.620 47 A CB -0.530 18.395 19.000 -0.125 0.000 0.822 47 A HN 0.174 nan 8.150 nan 0.000 0.443 48 L N -0.659 120.514 121.223 -0.083 0.000 2.046 48 L HA -0.212 4.138 4.340 0.016 0.000 0.208 48 L C 3.093 179.963 176.870 0.001 0.000 1.077 48 L CA 1.170 55.995 54.840 -0.025 0.000 0.747 48 L CB -0.475 41.592 42.059 0.014 0.000 0.896 48 L HN 0.431 nan 8.230 nan 0.000 0.432 49 A N -0.444 122.362 122.820 -0.023 0.000 1.940 49 A HA -0.254 4.076 4.320 0.016 0.000 0.219 49 A C 2.290 179.873 177.584 -0.002 0.000 1.176 49 A CA 1.978 54.014 52.037 -0.000 0.000 0.631 49 A CB -0.498 18.486 19.000 -0.026 0.000 0.814 49 A HN 0.395 nan 8.150 nan 0.000 0.446 50 M N -0.990 118.598 119.600 -0.020 0.000 2.200 50 M HA -0.087 4.403 4.480 0.016 0.000 0.265 50 M C 2.024 178.324 176.300 0.000 0.000 1.066 50 M CA 1.061 56.352 55.300 -0.015 0.000 1.127 50 M CB -0.278 32.304 32.600 -0.029 0.000 1.379 50 M HN 0.247 nan 8.290 nan 0.000 0.420 51 V N 0.107 120.023 119.914 0.003 0.000 2.379 51 V HA -0.209 3.921 4.120 0.016 0.000 0.245 51 V C 2.228 178.353 176.094 0.051 0.000 1.044 51 V CA 1.606 63.917 62.300 0.019 0.000 1.036 51 V CB -0.526 31.307 31.823 0.017 0.000 0.664 51 V HN 0.323 nan 8.190 nan 0.000 0.453 52 K N 0.383 120.818 120.400 0.057 0.000 2.148 52 K HA -0.138 4.192 4.320 0.016 0.000 0.204 52 K C 2.129 178.776 176.600 0.077 0.000 1.050 52 K CA 1.225 57.560 56.287 0.079 0.000 0.942 52 K CB -0.287 32.262 32.500 0.082 0.000 0.724 52 K HN 0.391 nan 8.250 nan 0.000 0.446 53 K N -0.134 120.297 120.400 0.051 0.000 2.057 53 K HA -0.083 4.246 4.320 0.016 0.000 0.206 53 K C 1.941 178.589 176.600 0.080 0.000 1.050 53 K CA 1.276 57.592 56.287 0.048 0.000 0.935 53 K CB -0.128 32.381 32.500 0.015 0.000 0.715 53 K HN 0.128 nan 8.250 nan 0.000 0.439 54 A N 1.075 123.929 122.820 0.057 0.000 1.902 54 A HA -0.107 4.222 4.320 0.016 0.000 0.217 54 A C 2.326 179.952 177.584 0.070 0.000 1.181 54 A CA 1.900 53.964 52.037 0.043 0.000 0.623 54 A CB -0.822 18.178 19.000 -0.000 0.000 0.818 54 A HN 0.484 nan 8.150 nan 0.000 0.443 55 A N -0.185 122.704 122.820 0.115 0.000 1.898 55 A HA 0.191 4.521 4.320 0.016 0.000 0.216 55 A C 2.519 180.262 177.584 0.266 0.000 1.181 55 A CA 2.041 54.218 52.037 0.233 0.000 0.620 55 A CB -1.062 18.115 19.000 0.295 0.000 0.819 55 A HN 1.076 nan 8.150 nan 0.000 0.442 56 A N -0.835 122.117 122.820 0.220 0.000 1.908 56 A HA -0.113 4.217 4.320 0.016 0.000 0.218 56 A C 2.298 180.098 177.584 0.360 0.000 1.181 56 A CA 2.384 54.581 52.037 0.268 0.000 0.627 56 A CB -1.303 17.828 19.000 0.218 0.000 0.818 56 A HN 0.444 nan 8.150 nan 0.000 0.445 57 T N 0.247 114.994 114.554 0.322 0.000 2.746 57 T HA 0.001 4.361 4.350 0.016 0.000 0.267 57 T C 2.229 177.032 174.700 0.172 0.000 1.039 57 T CA 1.560 63.836 62.100 0.294 0.000 1.142 57 T CB -0.447 68.561 68.868 0.233 0.000 0.866 57 T HN 0.603 nan 8.240 nan 0.000 0.444 58 A N 2.423 125.326 122.820 0.137 0.000 1.902 58 A HA -0.143 4.187 4.320 0.016 0.000 0.217 58 A C 2.294 179.979 177.584 0.169 0.000 1.181 58 A CA 1.419 53.511 52.037 0.092 0.000 0.623 58 A CB -0.587 18.393 19.000 -0.032 0.000 0.818 58 A HN 0.372 nan 8.150 nan 0.000 0.443 59 N N -1.314 117.535 118.700 0.249 0.000 2.142 59 N HA -0.166 4.583 4.740 0.016 0.000 0.186 59 N C 1.634 177.214 175.510 0.117 0.000 1.023 59 N CA 1.718 54.883 53.050 0.192 0.000 0.852 59 N CB -0.669 37.925 38.487 0.180 0.000 0.998 59 N HN 0.660 nan 8.380 nan 0.000 0.424 60 Y N 2.202 122.496 120.300 -0.009 0.000 2.097 60 Y HA -0.171 4.388 4.550 0.016 0.000 0.282 60 Y C 1.992 177.798 175.900 -0.157 0.000 1.152 60 Y CA 1.762 59.774 58.100 -0.147 0.000 1.136 60 Y CB -0.230 37.938 38.460 -0.487 0.000 0.975 60 Y HN -0.069 nan 8.280 nan 0.000 0.498 61 K N -0.028 120.201 120.400 -0.285 0.000 2.280 61 K HA -0.071 4.258 4.320 0.016 0.000 0.202 61 K C 1.490 177.947 176.600 -0.238 0.000 1.047 61 K CA 1.295 57.375 56.287 -0.346 0.000 0.942 61 K CB -0.181 32.232 32.500 -0.145 0.000 0.739 61 K HN 0.381 nan 8.250 nan 0.000 0.457 62 L N -0.166 120.978 121.223 -0.131 0.000 2.628 62 L HA 0.115 4.465 4.340 0.016 0.000 0.229 62 L C 1.127 177.945 176.870 -0.088 0.000 1.137 62 L CA 0.062 54.856 54.840 -0.077 0.000 0.909 62 L CB -0.025 42.035 42.059 0.001 0.000 1.137 62 L HN 0.170 nan 8.230 nan 0.000 0.470 63 R N -0.218 120.190 120.500 -0.152 0.000 3.951 63 R HA -0.233 4.117 4.340 0.016 0.000 0.352 63 R C 1.070 177.343 176.300 -0.046 0.000 1.178 63 R CA 1.621 57.643 56.100 -0.130 0.000 0.949 63 R CB -3.304 26.926 30.300 -0.116 0.000 1.452 63 R HN 0.630 nan 8.270 nan 0.000 0.540 64 Q N -1.456 118.335 119.800 -0.016 0.000 2.389 64 Q HA 0.301 4.651 4.340 0.016 0.000 0.204 64 Q C 0.766 176.793 176.000 0.046 0.000 0.944 64 Q CA 0.991 56.802 55.803 0.012 0.000 0.908 64 Q CB 0.427 29.171 28.738 0.009 0.000 1.002 64 Q HN 0.685 nan 8.270 nan 0.000 0.493 65 L N 1.405 122.679 121.223 0.085 0.000 2.356 65 L HA 0.474 4.824 4.340 0.016 0.000 0.277 65 L C -2.788 174.201 176.870 0.198 0.000 0.996 65 L CA -2.210 52.716 54.840 0.144 0.000 0.822 65 L CB 1.708 43.883 42.059 0.193 0.000 1.256 65 L HN -0.240 nan 8.230 nan 0.000 0.413 66 P HA 0.114 nan 4.420 nan 0.000 0.269 66 P C 0.198 177.649 177.300 0.252 0.000 1.209 66 P CA -0.061 63.144 63.100 0.176 0.000 0.776 66 P CB 0.718 32.490 31.700 0.120 0.000 0.876 67 E N 4.077 124.441 120.200 0.272 0.000 2.049 67 E HA -0.200 4.160 4.350 0.016 0.000 0.198 67 E C -0.675 176.021 176.600 0.160 0.000 1.007 67 E CA 1.837 58.396 56.400 0.265 0.000 0.809 67 E CB -1.159 28.697 29.700 0.259 0.000 0.749 67 E HN 0.445 nan 8.360 nan 0.000 0.450 68 P HA -0.185 nan 4.420 nan 0.000 0.216 68 P C 0.596 177.929 177.300 0.054 0.000 1.150 68 P CA 1.658 64.798 63.100 0.067 0.000 0.837 68 P CB -0.032 31.705 31.700 0.063 0.000 0.786 69 K N -1.229 119.226 120.400 0.092 0.000 2.116 69 K HA -0.134 4.196 4.320 0.016 0.000 0.203 69 K C 2.437 179.083 176.600 0.078 0.000 1.052 69 K CA 1.041 57.380 56.287 0.087 0.000 0.952 69 K CB -0.737 31.831 32.500 0.112 0.000 0.729 69 K HN 0.131 nan 8.250 nan 0.000 0.446 70 Y N 2.027 122.317 120.300 -0.017 0.000 2.128 70 Y HA -0.269 4.291 4.550 0.016 0.000 0.284 70 Y C 2.258 178.071 175.900 -0.146 0.000 1.154 70 Y CA 1.503 59.548 58.100 -0.091 0.000 1.149 70 Y CB -0.502 37.820 38.460 -0.229 0.000 0.976 70 Y HN 0.019 nan 8.280 nan 0.000 0.505 71 A N 0.993 123.565 122.820 -0.412 0.000 1.908 71 A HA -0.145 4.185 4.320 0.016 0.000 0.218 71 A C 2.457 179.818 177.584 -0.371 0.000 1.181 71 A CA 2.296 54.041 52.037 -0.487 0.000 0.627 71 A CB -1.605 17.270 19.000 -0.207 0.000 0.818 71 A HN 0.712 nan 8.150 nan 0.000 0.445 72 A N -0.385 122.313 122.820 -0.204 0.000 1.873 72 A HA -0.017 4.313 4.320 0.016 0.000 0.215 72 A C 2.141 179.655 177.584 -0.117 0.000 1.186 72 A CA 1.447 53.410 52.037 -0.124 0.000 0.616 72 A CB -0.561 18.438 19.000 -0.003 0.000 0.823 72 A HN 0.471 nan 8.150 nan 0.000 0.442 73 I N -0.701 119.809 120.570 -0.100 0.000 2.226 73 I HA -0.200 3.980 4.170 0.016 0.000 0.245 73 I C 2.383 178.424 176.117 -0.126 0.000 1.100 73 I CA 0.973 62.239 61.300 -0.057 0.000 1.374 73 I CB -0.169 37.831 38.000 -0.001 0.000 1.057 73 I HN 0.157 nan 8.210 nan 0.000 0.413 74 V N 0.794 120.540 119.914 -0.280 0.000 2.295 74 V HA -0.306 3.823 4.120 0.016 0.000 0.246 74 V C 2.659 178.609 176.094 -0.240 0.000 1.049 74 V CA 2.044 64.164 62.300 -0.300 0.000 1.024 74 V CB -0.836 30.648 31.823 -0.565 0.000 0.648 74 V HN 0.503 nan 8.190 nan 0.000 0.447 75 A N -0.191 122.439 122.820 -0.318 0.000 1.902 75 A HA -0.149 4.181 4.320 0.016 0.000 0.217 75 A C 2.426 179.888 177.584 -0.203 0.000 1.181 75 A CA 2.136 53.957 52.037 -0.360 0.000 0.623 75 A CB -0.809 17.767 19.000 -0.707 0.000 0.818 75 A HN 0.589 nan 8.150 nan 0.000 0.443 76 A N -0.887 121.877 122.820 -0.093 0.000 1.883 76 A HA -0.209 4.121 4.320 0.016 0.000 0.217 76 A C 2.340 179.944 177.584 0.033 0.000 1.186 76 A CA 1.784 53.863 52.037 0.071 0.000 0.624 76 A CB -1.358 17.709 19.000 0.112 0.000 0.822 76 A HN 0.608 nan 8.150 nan 0.000 0.444 77 C N -0.568 118.731 119.300 -0.002 0.000 2.432 77 C HA -0.106 4.364 4.460 0.016 0.000 0.277 77 C C 2.425 177.406 174.990 -0.015 0.000 1.249 77 C CA 1.113 60.132 59.018 0.001 0.000 1.725 77 C CB -1.291 26.443 27.740 -0.011 0.000 2.028 77 C HN 0.623 nan 8.230 nan 0.000 0.477 78 D N 0.990 121.366 120.400 -0.039 0.000 2.116 78 D HA -0.128 4.522 4.640 0.016 0.000 0.193 78 D C 1.648 177.938 176.300 -0.017 0.000 0.998 78 D CA 1.468 55.445 54.000 -0.039 0.000 0.836 78 D CB -0.641 40.120 40.800 -0.064 0.000 0.951 78 D HN 0.476 nan 8.370 nan 0.000 0.449 79 D N 0.218 120.621 120.400 0.005 0.000 2.103 79 D HA -0.142 4.507 4.640 0.016 0.000 0.190 79 D C 2.326 178.626 176.300 -0.000 0.000 0.997 79 D CA 0.661 54.672 54.000 0.019 0.000 0.833 79 D CB -0.480 40.351 40.800 0.051 0.000 0.961 79 D HN 0.279 nan 8.370 nan 0.000 0.447 80 I N 0.625 121.198 120.570 0.006 0.000 2.163 80 I HA -0.244 3.936 4.170 0.016 0.000 0.243 80 I C 2.441 178.533 176.117 -0.041 0.000 1.085 80 I CA 0.779 62.076 61.300 -0.005 0.000 1.347 80 I CB -0.250 37.765 38.000 0.026 0.000 1.044 80 I HN -0.029 nan 8.210 nan 0.000 0.408 81 I N 0.736 121.284 120.570 -0.037 0.000 2.264 81 I HA -0.296 3.884 4.170 0.016 0.000 0.248 81 I C 1.296 177.390 176.117 -0.038 0.000 1.111 81 I CA 1.360 62.633 61.300 -0.044 0.000 1.382 81 I CB -0.459 37.520 38.000 -0.036 0.000 1.060 81 I HN 0.247 nan 8.210 nan 0.000 0.418 82 D N 0.843 121.226 120.400 -0.028 0.000 2.324 82 D HA 0.084 4.734 4.640 0.016 0.000 0.235 82 D C 1.544 177.830 176.300 -0.023 0.000 1.095 82 D CA 0.905 54.891 54.000 -0.023 0.000 0.871 82 D CB 0.191 40.981 40.800 -0.015 0.000 0.906 82 D HN 0.484 nan 8.370 nan 0.000 0.522 83 G N 0.703 109.484 108.800 -0.031 0.000 2.143 83 G HA2 -0.292 3.678 3.960 0.016 0.000 0.249 83 G HA3 -0.292 3.678 3.960 0.016 0.000 0.249 83 G C 0.292 175.180 174.900 -0.019 0.000 0.981 83 G CA -0.159 44.922 45.100 -0.032 0.000 0.665 83 G HN 0.340 nan 8.290 nan 0.000 0.528 84 L N -0.240 120.974 121.223 -0.015 0.000 2.453 84 L HA 0.608 4.958 4.340 0.016 0.000 0.261 84 L C 1.876 178.743 176.870 -0.006 0.000 1.179 84 L CA -0.100 54.730 54.840 -0.016 0.000 0.813 84 L CB 0.830 42.874 42.059 -0.026 0.000 1.110 84 L HN 0.282 nan 8.230 nan 0.000 0.466 85 L N 0.309 121.520 121.223 -0.020 0.000 4.696 85 L HA -0.305 4.045 4.340 0.016 0.000 0.425 85 L C 1.373 178.340 176.870 0.161 0.000 1.115 85 L CA -0.017 54.815 54.840 -0.012 0.000 0.996 85 L CB -1.225 40.771 42.059 -0.105 0.000 2.077 85 L HN 0.695 nan 8.230 nan 0.000 0.792 86 M N 1.129 120.805 119.600 0.127 0.000 2.149 86 M HA -0.164 4.326 4.480 0.016 0.000 0.261 86 M C 2.273 178.714 176.300 0.236 0.000 1.064 86 M CA 2.542 57.939 55.300 0.162 0.000 1.102 86 M CB -0.280 32.347 32.600 0.045 0.000 1.369 86 M HN 0.453 nan 8.290 nan 0.000 0.408 87 E N -1.120 119.179 120.200 0.165 0.000 2.472 87 E HA -0.201 4.158 4.350 0.016 0.000 0.200 87 E C 1.125 177.848 176.600 0.205 0.000 1.046 87 E CA 0.847 57.343 56.400 0.160 0.000 0.871 87 E CB -0.607 29.164 29.700 0.118 0.000 0.806 87 E HN 0.531 nan 8.360 nan 0.000 0.533 88 Q N -0.165 119.770 119.800 0.224 0.000 2.451 88 Q HA 0.123 4.473 4.340 0.016 0.000 0.206 88 Q C -0.214 175.765 176.000 -0.035 0.000 0.947 88 Q CA 0.253 56.159 55.803 0.172 0.000 0.937 88 Q CB -0.094 28.668 28.738 0.039 0.000 1.025 88 Q HN 0.266 nan 8.270 nan 0.000 0.511 89 F N 1.033 121.046 119.950 0.105 0.000 2.309 89 F HA 0.123 4.660 4.527 0.017 0.000 0.366 89 F C 1.114 176.925 175.800 0.020 0.000 1.104 89 F CA -0.606 57.426 58.000 0.054 0.000 1.179 89 F CB 0.713 39.743 39.000 0.050 0.000 1.437 89 F HN -0.234 nan 8.300 nan 0.000 0.528 90 V N -0.547 119.368 119.914 0.001 0.000 3.605 90 V HA 0.238 4.367 4.120 0.016 0.000 0.284 90 V C 0.433 176.495 176.094 -0.053 0.000 1.386 90 V CA -0.201 62.067 62.300 -0.054 0.000 1.053 90 V CB -0.382 31.290 31.823 -0.250 0.000 0.857 90 V HN 0.159 nan 8.190 nan 0.000 0.436 91 V N 2.635 122.533 119.914 -0.027 0.000 2.585 91 V HA 0.125 4.255 4.120 0.016 0.000 0.296 91 V C 0.616 176.731 176.094 0.035 0.000 1.035 91 V CA 0.150 62.456 62.300 0.011 0.000 1.084 91 V CB 0.703 32.549 31.823 0.038 0.000 0.953 91 V HN 0.493 nan 8.190 nan 0.000 0.483 92 D N 2.892 123.322 120.400 0.050 0.000 2.488 92 D HA -0.020 4.630 4.640 0.016 0.000 0.238 92 D C 1.212 177.500 176.300 -0.019 0.000 1.138 92 D CA 0.150 54.170 54.000 0.033 0.000 0.873 92 D CB 1.724 42.582 40.800 0.097 0.000 1.183 92 D HN 0.481 nan 8.370 nan 0.000 0.458 93 V N 2.304 122.152 119.914 -0.110 0.000 2.913 93 V HA -0.139 3.991 4.120 0.016 0.000 0.260 93 V C 1.564 177.473 176.094 -0.308 0.000 1.098 93 V CA 1.024 63.166 62.300 -0.265 0.000 1.121 93 V CB -0.877 30.585 31.823 -0.601 0.000 0.714 93 V HN 0.420 nan 8.190 nan 0.000 0.487 94 F N 2.106 121.925 119.950 -0.217 0.000 2.692 94 F HA 0.262 4.797 4.527 0.015 0.000 0.303 94 F C 1.550 177.211 175.800 -0.232 0.000 1.114 94 F CA -0.541 57.360 58.000 -0.164 0.000 1.361 94 F CB -0.276 38.655 39.000 -0.116 0.000 1.063 94 F HN 0.355 nan 8.300 nan 0.000 0.550 95 Q N 0.799 120.475 119.800 -0.207 0.000 2.310 95 Q HA 0.131 4.480 4.340 0.016 0.000 0.315 95 Q C 0.625 176.112 176.000 -0.855 0.000 1.081 95 Q CA 0.316 55.694 55.803 -0.709 0.000 0.981 95 Q CB 0.503 28.961 28.738 -0.466 0.000 1.184 95 Q HN 0.301 nan 8.270 nan 0.000 0.389 96 G N 0.700 108.555 108.800 -1.575 0.000 2.621 96 G HA2 0.430 4.400 3.960 0.016 0.000 0.271 96 G HA3 0.430 4.400 3.960 0.016 0.000 0.271 96 G C 0.718 175.300 174.900 -0.529 0.000 1.236 96 G CA -0.382 44.271 45.100 -0.746 0.000 0.958 96 G HN 1.421 nan 8.290 nan 0.000 0.512 97 G N -2.163 106.502 108.800 -0.224 0.000 2.131 97 G HA2 0.196 4.166 3.960 0.016 0.000 0.223 97 G HA3 0.196 4.166 3.960 0.016 0.000 0.223 97 G C 1.049 175.817 174.900 -0.220 0.000 0.990 97 G CA 1.056 46.068 45.100 -0.146 0.000 0.671 97 G HN 2.429 nan 8.290 nan 0.000 0.521 98 A N -1.503 121.154 122.820 -0.272 0.000 2.829 98 A HA 0.335 4.665 4.320 0.016 0.000 0.267 98 A C 2.288 179.582 177.584 -0.484 0.000 1.370 98 A CA 2.145 54.003 52.037 -0.299 0.000 0.900 98 A CB -1.348 17.523 19.000 -0.216 0.000 1.044 98 A HN 2.857 nan 8.150 nan 0.000 0.691 99 G N -4.636 103.772 108.800 -0.655 0.000 2.255 99 G HA2 -0.097 3.873 3.960 0.016 0.000 0.196 99 G HA3 -0.097 3.873 3.960 0.016 0.000 0.196 99 G C 1.116 175.681 174.900 -0.559 0.000 0.998 99 G CA 1.035 45.407 45.100 -1.214 0.000 0.656 99 G HN 1.310 nan 8.290 nan 0.000 0.490 100 T N 1.377 115.755 114.554 -0.293 0.000 2.759 100 T HA -0.076 4.284 4.350 0.016 0.000 0.269 100 T C 2.556 177.218 174.700 -0.063 0.000 1.042 100 T CA 2.143 64.171 62.100 -0.120 0.000 1.140 100 T CB -0.250 68.581 68.868 -0.063 0.000 0.864 100 T HN 0.385 nan 8.240 nan 0.000 0.455 101 S N 1.100 116.763 115.700 -0.061 0.000 2.402 101 S HA -0.047 4.433 4.470 0.016 0.000 0.229 101 S C 2.473 177.089 174.600 0.026 0.000 1.021 101 S CA 0.777 58.986 58.200 0.016 0.000 0.974 101 S CB -0.259 62.994 63.200 0.088 0.000 0.800 101 S HN 0.419 nan 8.310 nan 0.000 0.484 102 S N 1.965 117.667 115.700 0.003 0.000 2.368 102 S HA -0.078 4.401 4.470 0.016 0.000 0.224 102 S C 1.830 176.530 174.600 0.166 0.000 1.029 102 S CA 0.968 59.246 58.200 0.129 0.000 0.988 102 S CB -0.487 62.856 63.200 0.238 0.000 0.838 102 S HN 0.488 nan 8.310 nan 0.000 0.462 103 N N 1.261 120.032 118.700 0.117 0.000 2.104 103 N HA -0.052 4.698 4.740 0.016 0.000 0.190 103 N C 1.574 177.141 175.510 0.095 0.000 1.024 103 N CA 1.360 54.484 53.050 0.123 0.000 0.853 103 N CB -0.241 38.297 38.487 0.084 0.000 1.008 103 N HN 0.157 nan 8.380 nan 0.000 0.424 104 M N 0.161 119.794 119.600 0.056 0.000 2.254 104 M HA -0.000 4.490 4.480 0.016 0.000 0.265 104 M C 1.836 178.154 176.300 0.030 0.000 1.066 104 M CA 0.862 56.179 55.300 0.028 0.000 1.123 104 M CB -1.518 31.087 32.600 0.007 0.000 1.388 104 M HN 0.320 nan 8.290 nan 0.000 0.425 105 N N 0.131 118.861 118.700 0.050 0.000 2.120 105 N HA -0.108 4.642 4.740 0.016 0.000 0.188 105 N C 1.652 177.161 175.510 -0.001 0.000 1.024 105 N CA 1.284 54.332 53.050 -0.004 0.000 0.852 105 N CB 0.181 38.685 38.487 0.029 0.000 1.003 105 N HN 0.300 nan 8.380 nan 0.000 0.424 106 A N 0.987 123.937 122.820 0.217 0.000 1.873 106 A HA -0.122 4.208 4.320 0.016 0.000 0.215 106 A C 1.973 179.649 177.584 0.152 0.000 1.186 106 A CA 1.176 53.398 52.037 0.308 0.000 0.616 106 A CB -0.621 18.570 19.000 0.318 0.000 0.823 106 A HN 0.341 nan 8.150 nan 0.000 0.442 107 N N 0.198 118.956 118.700 0.097 0.000 2.061 107 N HA -0.182 4.568 4.740 0.016 0.000 0.193 107 N C 1.686 177.207 175.510 0.019 0.000 1.030 107 N CA 1.871 54.951 53.050 0.051 0.000 0.856 107 N CB -0.460 38.036 38.487 0.016 0.000 1.023 107 N HN 0.686 nan 8.380 nan 0.000 0.424 108 E N 0.138 120.336 120.200 -0.005 0.000 2.047 108 E HA -0.067 4.292 4.350 0.016 0.000 0.191 108 E C 2.082 178.728 176.600 0.076 0.000 0.987 108 E CA 0.750 57.146 56.400 -0.007 0.000 0.799 108 E CB -0.031 29.666 29.700 -0.005 0.000 0.752 108 E HN 0.034 nan 8.360 nan 0.000 0.449 109 V N 1.501 121.443 119.914 0.048 0.000 2.295 109 V HA -0.263 3.867 4.120 0.016 0.000 0.246 109 V C 2.254 178.419 176.094 0.119 0.000 1.049 109 V CA 1.574 63.911 62.300 0.061 0.000 1.024 109 V CB -0.369 31.363 31.823 -0.151 0.000 0.648 109 V HN 0.254 nan 8.190 nan 0.000 0.447 110 I N 0.302 120.945 120.570 0.121 0.000 2.208 110 I HA -0.274 3.906 4.170 0.016 0.000 0.245 110 I C 2.649 178.844 176.117 0.131 0.000 1.097 110 I CA 1.559 62.933 61.300 0.124 0.000 1.363 110 I CB -0.605 37.464 38.000 0.115 0.000 1.051 110 I HN 0.294 nan 8.210 nan 0.000 0.413 111 A N 0.841 123.738 122.820 0.128 0.000 1.883 111 A HA -0.232 4.098 4.320 0.016 0.000 0.217 111 A C 2.121 179.818 177.584 0.187 0.000 1.186 111 A CA 2.055 54.184 52.037 0.152 0.000 0.624 111 A CB -0.697 18.387 19.000 0.142 0.000 0.822 111 A HN 0.437 nan 8.150 nan 0.000 0.444 112 N N -0.945 117.884 118.700 0.214 0.000 2.216 112 N HA -0.119 4.631 4.740 0.016 0.000 0.183 112 N C 1.904 177.555 175.510 0.234 0.000 1.017 112 N CA 1.367 54.531 53.050 0.191 0.000 0.861 112 N CB -0.283 38.301 38.487 0.162 0.000 0.986 112 N HN 0.470 nan 8.380 nan 0.000 0.428 113 R N 1.458 122.135 120.500 0.296 0.000 2.090 113 R HA 0.107 4.457 4.340 0.016 0.000 0.228 113 R C 1.958 178.391 176.300 0.220 0.000 1.110 113 R CA 1.307 57.558 56.100 0.253 0.000 0.973 113 R CB -0.626 29.736 30.300 0.104 0.000 0.869 113 R HN 0.130 nan 8.270 nan 0.000 0.440 114 A N 0.630 123.570 122.820 0.201 0.000 1.883 114 A HA -0.123 4.207 4.320 0.016 0.000 0.217 114 A C 2.192 179.869 177.584 0.156 0.000 1.186 114 A CA 1.590 53.738 52.037 0.185 0.000 0.624 114 A CB -0.693 18.378 19.000 0.118 0.000 0.822 114 A HN 0.357 nan 8.150 nan 0.000 0.444 115 L N -0.831 120.460 121.223 0.115 0.000 2.042 115 L HA -0.224 4.126 4.340 0.016 0.000 0.210 115 L C 2.650 179.546 176.870 0.042 0.000 1.076 115 L CA 1.692 56.571 54.840 0.064 0.000 0.749 115 L CB -0.580 41.492 42.059 0.023 0.000 0.893 115 L HN 0.481 nan 8.230 nan 0.000 0.432 116 E N -0.689 119.530 120.200 0.032 0.000 2.085 116 E HA -0.240 4.120 4.350 0.016 0.000 0.194 116 E C 2.139 178.712 176.600 -0.046 0.000 0.994 116 E CA 1.093 57.473 56.400 -0.032 0.000 0.801 116 E CB -0.026 29.642 29.700 -0.053 0.000 0.743 116 E HN 0.556 nan 8.360 nan 0.000 0.453 117 H N -0.355 118.732 119.070 0.029 0.000 2.491 117 H HA -0.036 4.530 4.556 0.016 0.000 0.290 117 H C 1.932 177.262 175.328 0.003 0.000 1.050 117 H CA 0.793 56.847 56.048 0.011 0.000 1.309 117 H CB 0.202 29.963 29.762 -0.001 0.000 1.392 117 H HN 0.174 nan 8.280 nan 0.000 0.554 118 L N -0.826 120.466 121.223 0.116 0.000 2.567 118 L HA 0.126 4.476 4.340 0.016 0.000 0.225 118 L C 1.442 178.333 176.870 0.035 0.000 1.119 118 L CA 0.514 55.393 54.840 0.066 0.000 0.871 118 L CB 0.425 42.518 42.059 0.057 0.000 1.036 118 L HN 0.343 nan 8.230 nan 0.000 0.459 119 G N 0.254 109.067 108.800 0.021 0.000 2.143 119 G HA2 -0.229 3.741 3.960 0.016 0.000 0.249 119 G HA3 -0.229 3.741 3.960 0.016 0.000 0.249 119 G C 0.254 175.146 174.900 -0.014 0.000 0.981 119 G CA -0.161 44.938 45.100 -0.001 0.000 0.665 119 G HN 0.161 nan 8.290 nan 0.000 0.528 120 R N 0.107 120.598 120.500 -0.015 0.000 2.553 120 R HA 0.640 4.990 4.340 0.016 0.000 0.263 120 R C -2.287 173.976 176.300 -0.062 0.000 1.066 120 R CA -1.915 54.165 56.100 -0.033 0.000 1.135 120 R CB 0.022 30.309 30.300 -0.023 0.000 1.148 120 R HN 0.226 nan 8.270 nan 0.000 0.558 121 P HA 0.314 nan 4.420 nan 0.000 0.282 121 P C -0.557 176.642 177.300 -0.168 0.000 1.259 121 P CA -0.673 62.354 63.100 -0.121 0.000 0.826 121 P CB 0.694 32.324 31.700 -0.117 0.000 1.064 122 R N 0.626 121.006 120.500 -0.201 0.000 2.640 122 R HA 0.311 4.660 4.340 0.016 0.000 0.270 122 R C 1.204 177.301 176.300 -0.338 0.000 1.024 122 R CA 0.896 56.845 56.100 -0.252 0.000 1.085 122 R CB -0.844 29.287 30.300 -0.282 0.000 0.963 122 R HN 0.939 nan 8.270 nan 0.000 0.426 123 G N 1.709 110.164 108.800 -0.575 0.000 2.175 123 G HA2 -0.272 3.698 3.960 0.016 0.000 0.244 123 G HA3 -0.272 3.698 3.960 0.016 0.000 0.244 123 G C -0.020 174.286 174.900 -0.991 0.000 0.982 123 G CA 0.281 44.795 45.100 -0.976 0.000 0.641 123 G HN 0.674 nan 8.290 nan 0.000 0.527 124 D N 0.361 120.402 120.400 -0.599 0.000 2.608 124 D HA 0.402 5.052 4.640 0.016 0.000 0.224 124 D C 1.135 177.320 176.300 -0.193 0.000 1.123 124 D CA -0.729 53.087 54.000 -0.307 0.000 1.030 124 D CB -0.469 40.240 40.800 -0.152 0.000 1.093 124 D HN 0.353 nan 8.370 nan 0.000 0.497 125 Y N 0.728 121.039 120.300 0.019 0.000 2.546 125 Y HA 0.041 4.601 4.550 0.017 0.000 0.287 125 Y C 2.671 178.654 175.900 0.139 0.000 1.158 125 Y CA 0.870 58.995 58.100 0.041 0.000 1.307 125 Y CB -1.051 37.384 38.460 -0.042 0.000 1.036 125 Y HN 0.473 nan 8.280 nan 0.000 0.532 126 Q N 0.072 119.996 119.800 0.207 0.000 2.291 126 Q HA -0.120 4.229 4.340 0.016 0.000 0.206 126 Q C 2.009 178.084 176.000 0.126 0.000 0.976 126 Q CA 2.107 58.004 55.803 0.155 0.000 0.875 126 Q CB -1.266 27.525 28.738 0.088 0.000 0.927 126 Q HN 0.509 nan 8.270 nan 0.000 0.450 127 T N -0.209 114.413 114.554 0.112 0.000 2.925 127 T HA 0.253 4.613 4.350 0.016 0.000 0.245 127 T C 0.597 175.370 174.700 0.122 0.000 1.025 127 T CA 0.504 62.659 62.100 0.092 0.000 1.149 127 T CB 0.280 69.182 68.868 0.057 0.000 0.866 127 T HN 0.474 nan 8.240 nan 0.000 0.437 128 I N 2.053 122.714 120.570 0.153 0.000 2.411 128 I HA 0.315 4.495 4.170 0.016 0.000 0.284 128 I C -0.686 175.584 176.117 0.255 0.000 1.012 128 I CA -0.809 60.599 61.300 0.179 0.000 1.119 128 I CB 0.991 39.080 38.000 0.148 0.000 1.261 128 I HN 0.310 nan 8.210 nan 0.000 0.448 129 H N 8.214 127.361 119.070 0.128 0.000 2.488 129 H HA 0.316 4.882 4.556 0.016 0.000 0.322 129 H C -1.972 173.365 175.328 0.015 0.000 1.078 129 H CA -1.618 54.483 56.048 0.088 0.000 1.260 129 H CB 2.560 32.360 29.762 0.063 0.000 1.425 129 H HN 0.229 nan 8.280 nan 0.000 0.471 130 P HA -0.144 nan 4.420 nan 0.000 0.216 130 P C 0.903 178.174 177.300 -0.048 0.000 1.150 130 P CA 1.453 64.417 63.100 -0.225 0.000 0.837 130 P CB 0.509 31.948 31.700 -0.434 0.000 0.786 131 N N -1.529 117.217 118.700 0.076 0.000 2.349 131 N HA -0.074 4.676 4.740 0.016 0.000 0.180 131 N C 1.332 176.964 175.510 0.203 0.000 1.024 131 N CA 0.808 53.961 53.050 0.171 0.000 0.869 131 N CB -0.237 38.353 38.487 0.171 0.000 1.022 131 N HN -0.202 nan 8.380 nan 0.000 0.433 132 D N 0.173 120.776 120.400 0.339 0.000 2.144 132 D HA -0.101 4.549 4.640 0.016 0.000 0.200 132 D C 0.739 177.097 176.300 0.096 0.000 0.978 132 D CA 1.066 55.120 54.000 0.089 0.000 0.833 132 D CB -0.061 40.674 40.800 -0.110 0.000 0.961 132 D HN 0.407 nan 8.370 nan 0.000 0.470 133 D N -0.524 119.965 120.400 0.148 0.000 2.652 133 D HA 0.026 4.676 4.640 0.016 0.000 0.261 133 D C 2.260 178.625 176.300 0.109 0.000 1.024 133 D CA 0.224 54.296 54.000 0.121 0.000 0.958 133 D CB 0.082 40.965 40.800 0.139 0.000 1.113 133 D HN -0.012 nan 8.370 nan 0.000 0.471 134 V N 1.356 121.333 119.914 0.105 0.000 2.667 134 V HA -0.117 4.013 4.120 0.016 0.000 0.252 134 V C 1.512 177.660 176.094 0.089 0.000 1.065 134 V CA 1.275 63.631 62.300 0.093 0.000 1.083 134 V CB -0.472 31.399 31.823 0.079 0.000 0.692 134 V HN 0.071 nan 8.190 nan 0.000 0.468 135 N N -0.673 118.074 118.700 0.079 0.000 2.235 135 N HA 0.182 4.932 4.740 0.016 0.000 0.209 135 N C 0.512 176.046 175.510 0.041 0.000 1.122 135 N CA -0.105 52.985 53.050 0.066 0.000 0.845 135 N CB -0.001 38.521 38.487 0.058 0.000 1.004 135 N HN 0.386 nan 8.380 nan 0.000 0.499 136 M N 0.463 120.085 119.600 0.037 0.000 2.248 136 M HA -0.084 4.406 4.480 0.016 0.000 0.343 136 M C 0.200 176.434 176.300 -0.110 0.000 1.243 136 M CA 0.897 56.187 55.300 -0.017 0.000 1.025 136 M CB 0.211 32.814 32.600 0.006 0.000 1.759 136 M HN 0.343 nan 8.290 nan 0.000 0.452 137 S N 0.560 116.144 115.700 -0.193 0.000 2.981 137 S HA -0.224 4.256 4.470 0.016 0.000 0.274 137 S C -0.239 174.204 174.600 -0.262 0.000 1.297 137 S CA 1.452 59.408 58.200 -0.408 0.000 1.266 137 S CB -1.524 61.031 63.200 -1.076 0.000 1.542 137 S HN 0.903 nan 8.310 nan 0.000 0.674 138 Q N -0.123 119.630 119.800 -0.079 0.000 2.418 138 Q HA 0.807 5.157 4.340 0.016 0.000 0.276 138 Q C -0.450 175.571 176.000 0.035 0.000 1.081 138 Q CA -0.540 55.280 55.803 0.029 0.000 0.864 138 Q CB 2.061 30.848 28.738 0.080 0.000 1.384 138 Q HN 0.171 nan 8.270 nan 0.000 0.467 139 S N -1.365 114.373 115.700 0.063 0.000 2.536 139 S HA 0.228 4.708 4.470 0.016 0.000 0.271 139 S C 0.366 175.011 174.600 0.074 0.000 1.134 139 S CA -0.468 57.766 58.200 0.056 0.000 0.897 139 S CB 1.518 64.750 63.200 0.053 0.000 1.094 139 S HN 0.662 nan 8.310 nan 0.000 0.473 140 T N 3.518 118.108 114.554 0.060 0.000 2.649 140 T HA -0.164 4.195 4.350 0.016 0.000 0.268 140 T C 1.352 176.113 174.700 0.102 0.000 1.036 140 T CA 2.022 64.163 62.100 0.068 0.000 1.157 140 T CB -0.460 68.411 68.868 0.006 0.000 0.861 140 T HN 0.651 nan 8.240 nan 0.000 0.445 141 N N 1.283 120.029 118.700 0.077 0.000 2.571 141 N HA -0.038 4.712 4.740 0.016 0.000 0.189 141 N C 1.224 176.795 175.510 0.102 0.000 1.154 141 N CA 1.037 54.140 53.050 0.089 0.000 0.907 141 N CB -0.066 38.461 38.487 0.067 0.000 0.977 141 N HN 0.715 nan 8.380 nan 0.000 0.449 142 D N -1.519 118.942 120.400 0.103 0.000 2.461 142 D HA 0.036 4.685 4.640 0.016 0.000 0.266 142 D C 1.577 177.937 176.300 0.099 0.000 1.085 142 D CA -0.012 54.046 54.000 0.096 0.000 0.887 142 D CB -0.291 40.564 40.800 0.092 0.000 1.309 142 D HN -0.109 nan 8.370 nan 0.000 0.498 143 V N 0.493 120.476 119.914 0.116 0.000 2.307 143 V HA -0.185 3.945 4.120 0.016 0.000 0.245 143 V C 2.314 178.474 176.094 0.109 0.000 1.045 143 V CA 1.616 63.982 62.300 0.110 0.000 1.024 143 V CB -0.796 31.100 31.823 0.122 0.000 0.651 143 V HN 0.161 nan 8.190 nan 0.000 0.449 144 Y N 2.316 122.630 120.300 0.023 0.000 2.089 144 Y HA -0.121 4.439 4.550 0.016 0.000 0.282 144 Y C 0.068 175.969 175.900 0.001 0.000 1.139 144 Y CA 2.198 60.301 58.100 0.005 0.000 1.123 144 Y CB -1.488 36.969 38.460 -0.005 0.000 0.980 144 Y HN 0.291 nan 8.280 nan 0.000 0.493 145 P HA -0.129 nan 4.420 nan 0.000 0.218 145 P C 1.477 178.756 177.300 -0.035 0.000 1.149 145 P CA 2.207 65.311 63.100 0.008 0.000 0.817 145 P CB -0.209 31.571 31.700 0.133 0.000 0.785 146 T N 0.238 114.780 114.554 -0.020 0.000 2.746 146 T HA -0.106 4.254 4.350 0.016 0.000 0.267 146 T C 2.052 176.698 174.700 -0.090 0.000 1.039 146 T CA 1.852 63.932 62.100 -0.034 0.000 1.142 146 T CB -0.802 68.062 68.868 -0.006 0.000 0.866 146 T HN 0.096 nan 8.240 nan 0.000 0.444 147 A N 0.846 123.587 122.820 -0.131 0.000 1.898 147 A HA -0.012 4.318 4.320 0.016 0.000 0.216 147 A C 2.582 180.009 177.584 -0.260 0.000 1.181 147 A CA 1.136 53.067 52.037 -0.176 0.000 0.620 147 A CB -1.002 17.896 19.000 -0.170 0.000 0.819 147 A HN 0.335 nan 8.150 nan 0.000 0.442 148 V N 0.135 119.824 119.914 -0.375 0.000 2.252 148 V HA -0.344 3.786 4.120 0.016 0.000 0.249 148 V C 2.685 178.603 176.094 -0.294 0.000 1.056 148 V CA 2.527 64.594 62.300 -0.389 0.000 1.022 148 V CB -0.821 30.721 31.823 -0.470 0.000 0.641 148 V HN 0.567 nan 8.190 nan 0.000 0.445 149 R N -0.762 119.614 120.500 -0.207 0.000 2.083 149 R HA -0.194 4.156 4.340 0.016 0.000 0.237 149 R C 2.219 178.370 176.300 -0.248 0.000 1.137 149 R CA 1.691 57.615 56.100 -0.294 0.000 0.951 149 R CB -0.687 29.550 30.300 -0.105 0.000 0.851 149 R HN 0.355 nan 8.270 nan 0.000 0.434 150 L N 0.720 121.848 121.223 -0.159 0.000 2.043 150 L HA -0.179 4.170 4.340 0.016 0.000 0.212 150 L C 2.220 179.002 176.870 -0.147 0.000 1.075 150 L CA 2.075 56.841 54.840 -0.123 0.000 0.752 150 L CB -0.666 41.337 42.059 -0.094 0.000 0.891 150 L HN 0.194 nan 8.230 nan 0.000 0.432 151 A N -0.903 121.805 122.820 -0.187 0.000 1.898 151 A HA -0.122 4.207 4.320 0.016 0.000 0.216 151 A C 2.217 179.696 177.584 -0.174 0.000 1.181 151 A CA 1.671 53.608 52.037 -0.168 0.000 0.620 151 A CB -0.765 18.127 19.000 -0.180 0.000 0.819 151 A HN 0.490 nan 8.150 nan 0.000 0.442 152 L N -0.564 120.494 121.223 -0.275 0.000 2.046 152 L HA -0.192 4.158 4.340 0.016 0.000 0.208 152 L C 2.533 179.295 176.870 -0.180 0.000 1.077 152 L CA 1.041 55.693 54.840 -0.313 0.000 0.747 152 L CB -0.686 40.951 42.059 -0.702 0.000 0.896 152 L HN 0.355 nan 8.230 nan 0.000 0.432 153 L N -0.405 120.732 121.223 -0.143 0.000 2.046 153 L HA -0.222 4.128 4.340 0.016 0.000 0.208 153 L C 2.526 179.384 176.870 -0.020 0.000 1.077 153 L CA 1.204 56.026 54.840 -0.031 0.000 0.747 153 L CB -0.414 41.638 42.059 -0.012 0.000 0.896 153 L HN 0.301 nan 8.230 nan 0.000 0.432 154 L N -0.511 120.684 121.223 -0.047 0.000 2.201 154 L HA -0.127 4.223 4.340 0.016 0.000 0.212 154 L C 2.244 179.104 176.870 -0.017 0.000 1.105 154 L CA 1.291 56.111 54.840 -0.033 0.000 0.775 154 L CB -0.382 41.646 42.059 -0.052 0.000 0.913 154 L HN 0.371 nan 8.230 nan 0.000 0.440 155 S N -2.467 113.225 115.700 -0.015 0.000 2.572 155 S HA 0.009 4.489 4.470 0.016 0.000 0.228 155 S C 1.495 176.128 174.600 0.056 0.000 0.963 155 S CA -0.347 57.860 58.200 0.012 0.000 0.939 155 S CB 0.498 63.699 63.200 0.002 0.000 0.804 155 S HN 0.174 nan 8.310 nan 0.000 0.480 156 Q N 2.796 122.637 119.800 0.069 0.000 2.170 156 Q HA 0.011 4.361 4.340 0.016 0.000 0.203 156 Q C 1.777 177.835 176.000 0.097 0.000 0.976 156 Q CA 1.610 57.485 55.803 0.120 0.000 0.858 156 Q CB -0.606 28.202 28.738 0.116 0.000 0.907 156 Q HN 0.638 nan 8.270 nan 0.000 0.433 157 N N -0.645 118.092 118.700 0.062 0.000 2.354 157 N HA -0.121 4.629 4.740 0.016 0.000 0.179 157 N C 1.404 176.944 175.510 0.051 0.000 1.021 157 N CA 0.922 54.003 53.050 0.052 0.000 0.887 157 N CB -0.038 38.466 38.487 0.028 0.000 0.974 157 N HN 0.393 nan 8.380 nan 0.000 0.437 158 Q N 0.225 120.052 119.800 0.045 0.000 2.124 158 Q HA -0.108 4.242 4.340 0.016 0.000 0.202 158 Q C 1.810 177.838 176.000 0.046 0.000 0.977 158 Q CA 1.468 57.293 55.803 0.038 0.000 0.850 158 Q CB -0.330 28.425 28.738 0.028 0.000 0.901 158 Q HN 0.295 nan 8.270 nan 0.000 0.429 159 V N 0.428 120.379 119.914 0.061 0.000 2.649 159 V HA -0.146 3.984 4.120 0.016 0.000 0.248 159 V C 2.177 178.310 176.094 0.064 0.000 1.054 159 V CA 1.295 63.627 62.300 0.054 0.000 1.073 159 V CB -0.007 31.849 31.823 0.056 0.000 0.699 159 V HN 0.327 nan 8.190 nan 0.000 0.463 160 Q N 0.286 120.145 119.800 0.099 0.000 2.050 160 Q HA -0.155 4.195 4.340 0.016 0.000 0.202 160 Q C 2.299 178.440 176.000 0.235 0.000 0.980 160 Q CA 2.503 58.404 55.803 0.164 0.000 0.840 160 Q CB -1.042 27.804 28.738 0.180 0.000 0.898 160 Q HN 0.691 nan 8.270 nan 0.000 0.424 161 T N 1.652 116.290 114.554 0.142 0.000 2.665 161 T HA -0.180 4.180 4.350 0.016 0.000 0.268 161 T C 1.888 176.647 174.700 0.099 0.000 1.035 161 T CA 1.714 63.881 62.100 0.112 0.000 1.151 161 T CB -0.363 68.535 68.868 0.049 0.000 0.862 161 T HN 0.439 nan 8.240 nan 0.000 0.438 162 A N 1.094 123.948 122.820 0.058 0.000 1.883 162 A HA -0.029 4.301 4.320 0.016 0.000 0.217 162 A C 2.347 179.937 177.584 0.008 0.000 1.186 162 A CA 1.354 53.404 52.037 0.022 0.000 0.624 162 A CB -0.942 18.062 19.000 0.006 0.000 0.822 162 A HN 0.465 nan 8.150 nan 0.000 0.444 163 L N -1.622 119.602 121.223 0.001 0.000 1.989 163 L HA -0.243 4.107 4.340 0.016 0.000 0.211 163 L C 2.602 179.419 176.870 -0.089 0.000 1.071 163 L CA 1.935 56.737 54.840 -0.063 0.000 0.749 163 L CB -0.739 41.247 42.059 -0.122 0.000 0.890 163 L HN 0.507 nan 8.230 nan 0.000 0.431 164 H N -1.345 117.728 119.070 0.005 0.000 2.353 164 H HA -0.214 4.353 4.556 0.018 0.000 0.298 164 H C 2.332 177.655 175.328 -0.008 0.000 1.103 164 H CA 1.667 57.718 56.048 0.006 0.000 1.293 164 H CB -0.031 29.734 29.762 0.006 0.000 1.372 164 H HN 0.072 nan 8.280 nan 0.000 0.501 165 R N 0.552 121.102 120.500 0.082 0.000 2.096 165 R HA -0.085 4.264 4.340 0.016 0.000 0.235 165 R C 1.975 178.242 176.300 -0.054 0.000 1.127 165 R CA 0.908 57.016 56.100 0.013 0.000 0.968 165 R CB -0.692 29.608 30.300 -0.000 0.000 0.861 165 R HN 0.303 nan 8.270 nan 0.000 0.440 166 L N 0.065 121.241 121.223 -0.078 0.000 2.109 166 L HA 0.088 4.438 4.340 0.016 0.000 0.207 166 L C 1.971 178.756 176.870 -0.143 0.000 1.086 166 L CA 1.470 56.199 54.840 -0.187 0.000 0.760 166 L CB -0.420 41.558 42.059 -0.134 0.000 0.910 166 L HN 0.253 nan 8.230 nan 0.000 0.437 167 I N -0.497 120.071 120.570 -0.003 0.000 2.127 167 I HA -0.345 3.835 4.170 0.016 0.000 0.241 167 I C 2.560 178.722 176.117 0.075 0.000 1.075 167 I CA 1.385 62.734 61.300 0.082 0.000 1.334 167 I CB -0.594 37.425 38.000 0.032 0.000 1.040 167 I HN 0.321 nan 8.210 nan 0.000 0.405 168 A N 0.557 123.399 122.820 0.037 0.000 1.940 168 A HA -0.197 4.133 4.320 0.016 0.000 0.219 168 A C 2.502 180.088 177.584 0.004 0.000 1.176 168 A CA 1.970 54.026 52.037 0.033 0.000 0.631 168 A CB -0.841 18.176 19.000 0.028 0.000 0.814 168 A HN 0.468 nan 8.150 nan 0.000 0.446 169 A N -1.265 121.511 122.820 -0.073 0.000 1.930 169 A HA 0.080 4.410 4.320 0.016 0.000 0.217 169 A C 1.885 179.448 177.584 -0.034 0.000 1.175 169 A CA 1.446 53.411 52.037 -0.120 0.000 0.627 169 A CB -0.642 18.207 19.000 -0.251 0.000 0.815 169 A HN 0.432 nan 8.150 nan 0.000 0.443 170 F N 0.366 120.385 119.950 0.115 0.000 2.163 170 F HA -0.043 4.494 4.527 0.017 0.000 0.297 170 F C 2.351 178.246 175.800 0.159 0.000 1.094 170 F CA 1.156 59.270 58.000 0.191 0.000 1.290 170 F CB -0.776 38.327 39.000 0.171 0.000 1.017 170 F HN 0.317 nan 8.300 nan 0.000 0.483 171 E N 0.214 120.567 120.200 0.255 0.000 2.049 171 E HA -0.259 4.101 4.350 0.016 0.000 0.198 171 E C 2.448 179.101 176.600 0.088 0.000 1.007 171 E CA 1.295 57.785 56.400 0.150 0.000 0.809 171 E CB -0.429 29.331 29.700 0.100 0.000 0.749 171 E HN 0.342 nan 8.360 nan 0.000 0.450 172 A N 1.672 124.523 122.820 0.052 0.000 1.883 172 A HA -0.225 4.105 4.320 0.016 0.000 0.217 172 A C 2.002 179.523 177.584 -0.104 0.000 1.186 172 A CA 1.482 53.507 52.037 -0.020 0.000 0.624 172 A CB -0.281 18.700 19.000 -0.032 0.000 0.822 172 A HN -0.008 nan 8.150 nan 0.000 0.444 173 K N -0.502 119.854 120.400 -0.073 0.000 2.148 173 K HA -0.067 4.263 4.320 0.016 0.000 0.204 173 K C 2.075 178.501 176.600 -0.291 0.000 1.050 173 K CA 1.118 57.204 56.287 -0.334 0.000 0.942 173 K CB -1.023 31.468 32.500 -0.016 0.000 0.724 173 K HN 0.488 nan 8.250 nan 0.000 0.446 174 G N 1.207 110.042 108.800 0.058 0.000 2.422 174 G HA2 -0.261 3.708 3.960 0.016 0.000 0.218 174 G HA3 -0.261 3.708 3.960 0.016 0.000 0.218 174 G C 1.767 176.678 174.900 0.018 0.000 1.146 174 G CA 0.431 45.587 45.100 0.094 0.000 0.769 174 G HN 0.263 nan 8.290 nan 0.000 0.547 175 R N -0.114 120.370 120.500 -0.027 0.000 2.062 175 R HA 0.017 4.366 4.340 0.016 0.000 0.229 175 R C 2.493 178.751 176.300 -0.071 0.000 1.128 175 R CA 1.211 57.295 56.100 -0.027 0.000 0.960 175 R CB -0.289 29.995 30.300 -0.026 0.000 0.855 175 R HN 0.470 nan 8.270 nan 0.000 0.432 176 E N -0.284 119.791 120.200 -0.208 0.000 2.110 176 E HA -0.166 4.194 4.350 0.016 0.000 0.193 176 E C 0.276 176.826 176.600 -0.083 0.000 0.988 176 E CA 0.979 57.223 56.400 -0.260 0.000 0.804 176 E CB 0.179 29.554 29.700 -0.542 0.000 0.745 176 E HN 0.181 nan 8.360 nan 0.000 0.458 177 F N -0.461 119.449 119.950 -0.066 0.000 2.684 177 F HA 0.395 4.931 4.527 0.015 0.000 0.298 177 F C 1.484 177.266 175.800 -0.030 0.000 1.120 177 F CA -0.202 57.743 58.000 -0.092 0.000 1.332 177 F CB -0.310 38.561 39.000 -0.216 0.000 0.986 177 F HN 0.009 nan 8.300 nan 0.000 0.524 178 A N 0.249 123.165 122.820 0.159 0.000 1.940 178 A HA -0.213 4.117 4.320 0.016 0.000 0.219 178 A C 2.180 179.863 177.584 0.166 0.000 1.176 178 A CA 2.483 54.619 52.037 0.166 0.000 0.631 178 A CB -1.018 18.049 19.000 0.112 0.000 0.814 178 A HN 0.355 nan 8.150 nan 0.000 0.446 179 T N -3.450 111.154 114.554 0.083 0.000 3.105 179 T HA 0.353 4.712 4.350 0.016 0.000 0.253 179 T C 0.133 174.861 174.700 0.046 0.000 1.047 179 T CA 0.065 62.183 62.100 0.029 0.000 0.944 179 T CB -0.140 68.710 68.868 -0.030 0.000 1.016 179 T HN -0.029 nan 8.240 nan 0.000 0.544 180 V N 3.079 123.030 119.914 0.062 0.000 2.341 180 V HA 0.287 4.417 4.120 0.016 0.000 0.248 180 V C 0.489 176.590 176.094 0.012 0.000 1.107 180 V CA -0.840 61.462 62.300 0.005 0.000 1.069 180 V CB -0.969 30.811 31.823 -0.072 0.000 1.177 180 V HN 0.507 nan 8.190 nan 0.000 0.492 181 I N 6.721 127.302 120.570 0.019 0.000 2.692 181 I HA 0.318 4.498 4.170 0.016 0.000 0.284 181 I C 0.391 176.509 176.117 0.001 0.000 1.159 181 I CA 0.495 61.813 61.300 0.030 0.000 1.423 181 I CB 0.221 38.241 38.000 0.033 0.000 1.380 181 I HN 0.782 nan 8.210 nan 0.000 0.580 182 K N 5.640 126.043 120.400 0.005 0.000 2.466 182 K HA 0.547 4.877 4.320 0.016 0.000 0.277 182 K C -1.457 175.143 176.600 -0.001 0.000 1.039 182 K CA -1.022 55.261 56.287 -0.007 0.000 0.904 182 K CB 0.962 33.451 32.500 -0.019 0.000 1.506 182 K HN 0.345 nan 8.250 nan 0.000 0.441 183 I N 1.312 121.880 120.570 -0.003 0.000 2.353 183 I HA 0.362 4.541 4.170 0.016 0.000 0.293 183 I C 0.109 176.225 176.117 -0.002 0.000 0.992 183 I CA 0.088 61.387 61.300 -0.002 0.000 1.268 183 I CB 1.299 39.298 38.000 -0.002 0.000 1.387 183 I HN 0.749 nan 8.210 nan 0.000 0.478 184 G N 6.746 115.542 108.800 -0.006 0.000 2.539 184 G HA2 0.488 4.458 3.960 0.016 0.000 0.258 184 G HA3 0.488 4.458 3.960 0.016 0.000 0.258 184 G C -0.557 174.341 174.900 -0.003 0.000 1.202 184 G CA -0.636 44.459 45.100 -0.008 0.000 0.851 184 G HN 0.633 nan 8.290 nan 0.000 0.556 185 R N -0.019 120.482 120.500 0.000 0.000 2.502 185 R HA 0.483 4.833 4.340 0.016 0.000 0.300 185 R C -0.714 175.589 176.300 0.004 0.000 0.984 185 R CA -0.569 55.533 56.100 0.004 0.000 0.882 185 R CB 2.063 32.370 30.300 0.010 0.000 1.180 185 R HN 0.705 nan 8.270 nan 0.000 0.444 186 T N -0.431 114.125 114.554 0.002 0.000 2.841 186 T HA 0.223 4.583 4.350 0.016 0.000 0.283 186 T C 0.303 175.005 174.700 0.004 0.000 1.000 186 T CA -0.817 61.284 62.100 0.002 0.000 0.977 186 T CB 1.811 70.679 68.868 -0.001 0.000 0.979 186 T HN 0.716 nan 8.240 nan 0.000 0.446 187 Q N 1.095 120.898 119.800 0.005 0.000 2.422 187 Q HA -0.214 4.136 4.340 0.016 0.000 0.245 187 Q C 0.544 176.548 176.000 0.007 0.000 0.922 187 Q CA 0.866 56.672 55.803 0.005 0.000 1.192 187 Q CB -1.703 27.037 28.738 0.004 0.000 1.641 187 Q HN 0.891 nan 8.270 nan 0.000 0.552 188 L N -2.878 118.350 121.223 0.008 0.000 4.800 188 L HA -0.276 4.073 4.340 0.016 0.000 0.412 188 L C -0.039 176.836 176.870 0.007 0.000 1.063 188 L CA 0.784 55.630 54.840 0.010 0.000 1.114 188 L CB -1.290 40.775 42.059 0.010 0.000 2.089 188 L HN 0.301 nan 8.230 nan 0.000 0.686 189 Q N 0.903 120.706 119.800 0.006 0.000 2.245 189 Q HA 0.351 4.701 4.340 0.016 0.000 0.256 189 Q C -0.166 175.836 176.000 0.004 0.000 0.942 189 Q CA -0.556 55.250 55.803 0.005 0.000 0.896 189 Q CB 1.459 30.199 28.738 0.004 0.000 1.272 189 Q HN 0.016 nan 8.270 nan 0.000 0.442 190 D N 1.195 121.596 120.400 0.003 0.000 2.493 190 D HA 0.157 4.807 4.640 0.016 0.000 0.240 190 D C 0.181 176.481 176.300 0.000 0.000 1.142 190 D CA 0.315 54.315 54.000 0.001 0.000 0.872 190 D CB 0.957 41.757 40.800 0.000 0.000 1.173 190 D HN 0.599 nan 8.370 nan 0.000 0.467 191 A N 2.574 125.393 122.820 -0.001 0.000 2.733 191 A HA 0.604 4.934 4.320 0.016 0.000 0.210 191 A C 0.144 177.727 177.584 -0.003 0.000 2.062 191 A CA 0.206 52.242 52.037 -0.002 0.000 1.765 191 A CB 0.018 19.016 19.000 -0.003 0.000 1.287 191 A HN 0.460 nan 8.150 nan 0.000 0.395 192 V N -3.359 116.552 119.914 -0.005 0.000 3.074 192 V HA 0.696 4.826 4.120 0.016 0.000 0.314 192 V C -3.204 172.886 176.094 -0.006 0.000 1.117 192 V CA -2.727 59.570 62.300 -0.004 0.000 1.014 192 V CB 1.210 33.030 31.823 -0.005 0.000 1.057 192 V HN 0.409 nan 8.190 nan 0.000 0.438 193 P HA 0.571 nan 4.420 nan 0.000 0.272 193 P C -0.687 176.611 177.300 -0.003 0.000 1.223 193 P CA 0.001 63.104 63.100 0.005 0.000 0.784 193 P CB 0.803 32.514 31.700 0.019 0.000 0.923 194 I N -0.069 120.499 120.570 -0.003 0.000 3.004 194 I HA 0.373 4.553 4.170 0.016 0.000 0.305 194 I C -0.572 175.551 176.117 0.010 0.000 1.312 194 I CA -0.725 60.560 61.300 -0.025 0.000 0.992 194 I CB 2.360 40.330 38.000 -0.050 0.000 1.282 194 I HN 0.370 nan 8.210 nan 0.000 0.449 195 T N 2.357 116.924 114.554 0.022 0.000 2.918 195 T HA 0.253 4.613 4.350 0.016 0.000 0.283 195 T C 0.715 175.436 174.700 0.034 0.000 1.001 195 T CA -0.588 61.556 62.100 0.073 0.000 1.041 195 T CB 1.547 70.537 68.868 0.204 0.000 1.028 195 T HN 0.539 nan 8.240 nan 0.000 0.511 196 L N 2.314 123.552 121.223 0.026 0.000 2.141 196 L HA 0.222 4.572 4.340 0.016 0.000 0.209 196 L C 2.434 179.357 176.870 0.089 0.000 1.094 196 L CA 2.259 57.102 54.840 0.005 0.000 0.763 196 L CB -1.310 40.645 42.059 -0.174 0.000 0.908 196 L HN 0.995 nan 8.230 nan 0.000 0.437 197 G N -1.406 107.471 108.800 0.128 0.000 2.418 197 G HA2 -0.271 3.699 3.960 0.016 0.000 0.217 197 G HA3 -0.271 3.699 3.960 0.016 0.000 0.217 197 G C 1.446 176.406 174.900 0.099 0.000 1.158 197 G CA 0.722 45.914 45.100 0.154 0.000 0.771 197 G HN 0.505 nan 8.290 nan 0.000 0.545 198 Q N -0.170 119.648 119.800 0.030 0.000 2.084 198 Q HA -0.066 4.284 4.340 0.016 0.000 0.202 198 Q C 2.391 178.328 176.000 -0.104 0.000 0.978 198 Q CA 1.395 57.158 55.803 -0.066 0.000 0.844 198 Q CB -0.162 28.471 28.738 -0.174 0.000 0.898 198 Q HN 0.712 nan 8.270 nan 0.000 0.426 199 E N 0.052 120.190 120.200 -0.103 0.000 2.058 199 E HA -0.213 4.147 4.350 0.016 0.000 0.194 199 E C 1.429 177.720 176.600 -0.515 0.000 0.997 199 E CA 1.083 57.324 56.400 -0.264 0.000 0.801 199 E CB -0.027 29.585 29.700 -0.146 0.000 0.746 199 E HN 0.262 nan 8.360 nan 0.000 0.450 200 F N 1.018 120.709 119.950 -0.430 0.000 2.206 200 F HA -0.021 4.519 4.527 0.022 0.000 0.298 200 F C 2.377 178.042 175.800 -0.226 0.000 1.090 200 F CA 1.317 59.092 58.000 -0.374 0.000 1.323 200 F CB -0.448 38.587 39.000 0.059 0.000 1.028 200 F HN 0.113 nan 8.300 nan 0.000 0.492 201 E N 0.611 120.834 120.200 0.038 0.000 2.153 201 E HA -0.141 4.218 4.350 0.016 0.000 0.194 201 E C 2.067 178.634 176.600 -0.055 0.000 0.988 201 E CA 1.285 57.702 56.400 0.027 0.000 0.811 201 E CB -0.333 29.384 29.700 0.028 0.000 0.746 201 E HN 0.227 nan 8.360 nan 0.000 0.466 202 A N -0.373 122.339 122.820 -0.179 0.000 1.970 202 A HA -0.015 4.315 4.320 0.016 0.000 0.216 202 A C 1.782 179.291 177.584 -0.124 0.000 1.170 202 A CA 0.916 52.851 52.037 -0.169 0.000 0.645 202 A CB -0.691 18.190 19.000 -0.199 0.000 0.816 202 A HN 0.293 nan 8.150 nan 0.000 0.447 203 F N 0.637 120.398 119.950 -0.315 0.000 2.095 203 F HA -0.160 4.378 4.527 0.018 0.000 0.298 203 F C 2.839 178.486 175.800 -0.256 0.000 1.104 203 F CA 0.416 58.105 58.000 -0.517 0.000 1.232 203 F CB -1.398 36.796 39.000 -1.343 0.000 0.987 203 F HN 0.272 nan 8.300 nan 0.000 0.475 204 A N 0.292 123.170 122.820 0.098 0.000 1.892 204 A HA -0.166 4.163 4.320 0.016 0.000 0.218 204 A C 2.503 180.141 177.584 0.090 0.000 1.188 204 A CA 2.534 54.684 52.037 0.188 0.000 0.631 204 A CB -1.407 17.708 19.000 0.192 0.000 0.822 204 A HN 0.337 nan 8.150 nan 0.000 0.447 205 A N -1.960 120.885 122.820 0.041 0.000 1.933 205 A HA -0.111 4.218 4.320 0.016 0.000 0.218 205 A C 2.357 179.947 177.584 0.011 0.000 1.175 205 A CA 2.415 54.462 52.037 0.018 0.000 0.628 205 A CB -1.202 17.795 19.000 -0.004 0.000 0.814 205 A HN 0.472 nan 8.150 nan 0.000 0.444 206 T N -0.444 114.119 114.554 0.014 0.000 2.857 206 T HA 0.008 4.368 4.350 0.016 0.000 0.266 206 T C 1.688 176.386 174.700 -0.003 0.000 1.048 206 T CA 1.337 63.439 62.100 0.003 0.000 1.139 206 T CB -0.365 68.506 68.868 0.006 0.000 0.874 206 T HN 0.383 nan 8.240 nan 0.000 0.455 207 L N 0.166 121.396 121.223 0.012 0.000 2.240 207 L HA 0.102 4.452 4.340 0.016 0.000 0.211 207 L C 2.815 179.661 176.870 -0.039 0.000 1.106 207 L CA 0.788 55.625 54.840 -0.005 0.000 0.793 207 L CB -0.395 41.684 42.059 0.034 0.000 0.927 207 L HN 0.122 nan 8.230 nan 0.000 0.446 208 R N 0.358 120.843 120.500 -0.024 0.000 2.152 208 R HA -0.158 4.192 4.340 0.016 0.000 0.232 208 R C 1.978 178.259 176.300 -0.031 0.000 1.117 208 R CA 1.186 57.263 56.100 -0.037 0.000 0.981 208 R CB -0.205 30.091 30.300 -0.006 0.000 0.870 208 R HN 0.512 nan 8.270 nan 0.000 0.451 209 E N 0.452 120.638 120.200 -0.024 0.000 2.072 209 E HA -0.146 4.214 4.350 0.016 0.000 0.190 209 E C 1.412 177.993 176.600 -0.032 0.000 0.982 209 E CA 1.000 57.387 56.400 -0.022 0.000 0.803 209 E CB 0.024 29.712 29.700 -0.020 0.000 0.755 209 E HN 0.280 nan 8.360 nan 0.000 0.453 210 D N 0.441 120.815 120.400 -0.043 0.000 2.092 210 D HA -0.171 4.479 4.640 0.016 0.000 0.193 210 D C 2.283 178.550 176.300 -0.054 0.000 0.994 210 D CA 2.170 56.138 54.000 -0.053 0.000 0.828 210 D CB -0.869 39.895 40.800 -0.059 0.000 0.963 210 D HN 0.276 nan 8.370 nan 0.000 0.450 211 T N -0.834 113.676 114.554 -0.072 0.000 2.778 211 T HA -0.129 4.231 4.350 0.016 0.000 0.269 211 T C 1.974 176.672 174.700 -0.004 0.000 1.050 211 T CA 1.815 63.880 62.100 -0.059 0.000 1.137 211 T CB -0.299 68.474 68.868 -0.158 0.000 0.860 211 T HN 0.126 nan 8.240 nan 0.000 0.468 212 A N 2.013 124.828 122.820 -0.009 0.000 1.840 212 A HA 0.160 4.490 4.320 0.016 0.000 0.214 212 A C 2.463 180.048 177.584 0.000 0.000 1.198 212 A CA 1.618 53.658 52.037 0.006 0.000 0.608 212 A CB -0.759 18.243 19.000 0.002 0.000 0.839 212 A HN 0.465 nan 8.150 nan 0.000 0.443 213 R N -0.256 120.235 120.500 -0.015 0.000 2.096 213 R HA -0.101 4.249 4.340 0.016 0.000 0.235 213 R C 1.837 178.126 176.300 -0.019 0.000 1.127 213 R CA 1.709 57.796 56.100 -0.022 0.000 0.968 213 R CB -1.056 29.224 30.300 -0.034 0.000 0.861 213 R HN 0.423 nan 8.270 nan 0.000 0.440 214 L N 0.930 122.140 121.223 -0.021 0.000 1.989 214 L HA -0.126 4.223 4.340 0.016 0.000 0.211 214 L C 2.147 179.069 176.870 0.087 0.000 1.071 214 L CA 2.252 57.093 54.840 0.001 0.000 0.749 214 L CB -0.816 41.234 42.059 -0.015 0.000 0.890 214 L HN 0.397 nan 8.230 nan 0.000 0.431 215 E N -0.584 119.657 120.200 0.069 0.000 2.049 215 E HA -0.312 4.048 4.350 0.016 0.000 0.198 215 E C 2.107 178.734 176.600 0.045 0.000 1.007 215 E CA 1.907 58.350 56.400 0.072 0.000 0.809 215 E CB -0.127 29.608 29.700 0.058 0.000 0.749 215 E HN 0.610 nan 8.360 nan 0.000 0.450 216 E N -0.521 119.691 120.200 0.020 0.000 2.058 216 E HA -0.200 4.160 4.350 0.016 0.000 0.194 216 E C 2.098 178.683 176.600 -0.025 0.000 0.997 216 E CA 1.451 57.847 56.400 -0.007 0.000 0.801 216 E CB 0.081 29.773 29.700 -0.014 0.000 0.746 216 E HN 0.117 nan 8.360 nan 0.000 0.450 217 V N 0.760 120.673 119.914 -0.001 0.000 2.358 217 V HA -0.243 3.887 4.120 0.016 0.000 0.246 217 V C 2.230 178.283 176.094 -0.068 0.000 1.047 217 V CA 1.648 63.938 62.300 -0.017 0.000 1.035 217 V CB -0.623 31.219 31.823 0.033 0.000 0.658 217 V HN 0.365 nan 8.190 nan 0.000 0.452 218 A N 0.210 123.090 122.820 0.100 0.000 1.948 218 A HA -0.244 4.086 4.320 0.016 0.000 0.220 218 A C 2.403 179.903 177.584 -0.141 0.000 1.177 218 A CA 2.250 54.299 52.037 0.021 0.000 0.636 218 A CB -0.825 18.297 19.000 0.203 0.000 0.815 218 A HN 0.628 nan 8.150 nan 0.000 0.449 219 A N -0.267 122.497 122.820 -0.093 0.000 2.024 219 A HA -0.069 4.261 4.320 0.016 0.000 0.220 219 A C 2.019 179.505 177.584 -0.164 0.000 1.164 219 A CA 1.470 53.452 52.037 -0.090 0.000 0.643 219 A CB -0.658 18.307 19.000 -0.058 0.000 0.806 219 A HN 0.540 nan 8.150 nan 0.000 0.451 220 L N -1.943 119.096 121.223 -0.308 0.000 2.261 220 L HA -0.160 4.190 4.340 0.016 0.000 0.216 220 L C 1.845 178.526 176.870 -0.315 0.000 1.114 220 L CA 0.783 55.411 54.840 -0.354 0.000 0.777 220 L CB -0.545 41.238 42.059 -0.460 0.000 0.910 220 L HN 0.343 nan 8.230 nan 0.000 0.440 221 F N -0.003 119.856 119.950 -0.152 0.000 2.661 221 F HA 0.009 4.545 4.527 0.015 0.000 0.298 221 F C 2.289 178.014 175.800 -0.125 0.000 1.137 221 F CA 0.326 58.220 58.000 -0.177 0.000 1.454 221 F CB -0.478 38.396 39.000 -0.210 0.000 1.103 221 F HN -0.005 nan 8.300 nan 0.000 0.577 222 R N 0.694 121.217 120.500 0.039 0.000 2.316 222 R HA -0.024 4.326 4.340 0.016 0.000 0.202 222 R C 0.107 176.403 176.300 -0.007 0.000 1.029 222 R CA 0.316 56.423 56.100 0.012 0.000 1.018 222 R CB -0.632 29.662 30.300 -0.009 0.000 0.888 222 R HN 0.363 nan 8.270 nan 0.000 0.471 223 E N 1.768 121.957 120.200 -0.018 0.000 2.130 223 E HA 0.186 4.546 4.350 0.016 0.000 0.284 223 E C -0.476 176.110 176.600 -0.022 0.000 1.018 223 E CA -0.341 56.040 56.400 -0.032 0.000 0.817 223 E CB 1.419 31.084 29.700 -0.058 0.000 1.078 223 E HN -0.058 nan 8.360 nan 0.000 0.396 224 V N 1.308 121.210 119.914 -0.021 0.000 2.960 224 V HA 0.432 4.562 4.120 0.016 0.000 0.315 224 V C 0.246 176.333 176.094 -0.012 0.000 1.087 224 V CA -0.941 61.350 62.300 -0.014 0.000 0.982 224 V CB 2.007 33.822 31.823 -0.013 0.000 1.039 224 V HN 0.710 nan 8.190 nan 0.000 0.437 225 N N 1.608 120.309 118.700 0.001 0.000 2.214 225 N HA 0.104 4.854 4.740 0.016 0.000 0.214 225 N C 0.124 175.654 175.510 0.033 0.000 1.132 225 N CA -0.368 52.689 53.050 0.011 0.000 0.856 225 N CB 0.313 38.806 38.487 0.010 0.000 1.020 225 N HN 0.688 nan 8.380 nan 0.000 0.509 226 L N 1.499 122.738 121.223 0.027 0.000 2.667 226 L HA 0.230 4.580 4.340 0.016 0.000 0.278 226 L C 1.341 178.250 176.870 0.065 0.000 1.217 226 L CA 1.822 56.689 54.840 0.045 0.000 0.935 226 L CB -0.504 41.557 42.059 0.003 0.000 1.193 226 L HN 0.593 nan 8.230 nan 0.000 0.493 227 G N 2.838 111.722 108.800 0.141 0.000 2.213 227 G HA2 -0.234 3.736 3.960 0.016 0.000 0.226 227 G HA3 -0.234 3.736 3.960 0.016 0.000 0.226 227 G C 0.872 175.850 174.900 0.130 0.000 0.992 227 G CA 0.245 45.456 45.100 0.185 0.000 0.632 227 G HN 1.231 nan 8.290 nan 0.000 0.511 228 G N 0.540 109.396 108.800 0.093 0.000 2.744 228 G HA2 0.404 4.374 3.960 0.016 0.000 0.211 228 G HA3 0.404 4.374 3.960 0.016 0.000 0.211 228 G C 1.558 176.501 174.900 0.072 0.000 1.143 228 G CA 2.507 47.651 45.100 0.073 0.000 0.788 228 G HN 2.117 nan 8.290 nan 0.000 0.534 229 T N -1.021 113.582 114.554 0.081 0.000 13.879 229 T HA -0.463 3.897 4.350 0.016 0.000 0.418 229 T C 2.046 176.783 174.700 0.061 0.000 1.442 229 T CA 2.633 64.774 62.100 0.068 0.000 2.336 229 T CB -1.436 67.462 68.868 0.049 0.000 2.768 229 T HN 1.223 nan 8.240 nan 0.000 0.395 230 A N 1.918 124.768 122.820 0.051 0.000 1.898 230 A HA 0.515 4.844 4.320 0.016 0.000 0.214 230 A C 2.599 180.219 177.584 0.059 0.000 1.183 230 A CA 2.301 54.367 52.037 0.048 0.000 0.622 230 A CB -0.619 18.403 19.000 0.036 0.000 0.824 230 A HN 1.699 nan 8.150 nan 0.000 0.444 231 I N -7.077 113.532 120.570 0.065 0.000 4.390 231 I HA 0.567 4.747 4.170 0.016 0.000 0.334 231 I C 0.845 177.015 176.117 0.089 0.000 1.379 231 I CA 0.486 61.836 61.300 0.084 0.000 1.197 231 I CB 0.753 38.801 38.000 0.080 0.000 1.396 231 I HN 0.424 nan 8.210 nan 0.000 0.511 232 G N 2.052 110.894 108.800 0.069 0.000 2.195 232 G HA2 -0.327 3.643 3.960 0.016 0.000 0.224 232 G HA3 -0.327 3.643 3.960 0.016 0.000 0.224 232 G C 0.894 175.827 174.900 0.054 0.000 0.990 232 G CA 0.569 45.704 45.100 0.058 0.000 0.639 232 G HN 0.568 nan 8.290 nan 0.000 0.514 233 T N -0.647 113.940 114.554 0.054 0.000 3.148 233 T HA 0.224 4.583 4.350 0.016 0.000 0.253 233 T C 1.538 176.266 174.700 0.047 0.000 1.134 233 T CA 1.292 63.420 62.100 0.047 0.000 1.051 233 T CB -0.310 68.583 68.868 0.041 0.000 0.959 233 T HN 1.861 nan 8.240 nan 0.000 0.525 234 R N -0.334 120.198 120.500 0.054 0.000 3.741 234 R HA -0.193 4.157 4.340 0.016 0.000 0.292 234 R C -0.001 176.329 176.300 0.051 0.000 1.176 234 R CA 0.724 56.862 56.100 0.063 0.000 0.794 234 R CB -2.990 27.360 30.300 0.082 0.000 1.213 234 R HN 0.627 nan 8.270 nan 0.000 0.494 235 I N 1.516 122.109 120.570 0.038 0.000 2.710 235 I HA -0.046 4.134 4.170 0.016 0.000 0.286 235 I C 0.325 176.450 176.117 0.014 0.000 1.181 235 I CA 0.900 62.215 61.300 0.025 0.000 1.430 235 I CB 0.206 38.218 38.000 0.021 0.000 1.367 235 I HN 0.578 nan 8.210 nan 0.000 0.577 236 N N 3.522 122.223 118.700 0.002 0.000 2.979 236 N HA -0.172 4.578 4.740 0.016 0.000 0.234 236 N C -0.620 174.855 175.510 -0.058 0.000 0.938 236 N CA 1.031 54.067 53.050 -0.023 0.000 0.961 236 N CB -1.236 37.237 38.487 -0.024 0.000 1.089 236 N HN 0.673 nan 8.380 nan 0.000 0.576 237 A N 0.521 123.323 122.820 -0.029 0.000 2.385 237 A HA 0.618 4.948 4.320 0.016 0.000 0.290 237 A C 0.421 178.045 177.584 0.067 0.000 1.094 237 A CA 0.102 52.107 52.037 -0.054 0.000 0.729 237 A CB 1.139 20.129 19.000 -0.018 0.000 1.194 237 A HN 0.362 nan 8.150 nan 0.000 0.442 238 S N 1.475 117.221 115.700 0.077 0.000 2.593 238 S HA 0.207 4.687 4.470 0.016 0.000 0.269 238 S C 1.074 175.791 174.600 0.195 0.000 1.334 238 S CA 0.649 58.925 58.200 0.127 0.000 1.015 238 S CB 0.423 63.681 63.200 0.097 0.000 0.912 238 S HN 1.074 nan 8.310 nan 0.000 0.541 239 H N 2.385 121.504 119.070 0.082 0.000 2.352 239 H HA -0.066 4.500 4.556 0.016 0.000 0.299 239 H C 2.008 177.374 175.328 0.063 0.000 1.097 239 H CA 2.453 58.540 56.048 0.065 0.000 1.311 239 H CB -0.762 29.022 29.762 0.037 0.000 1.377 239 H HN 0.770 nan 8.280 nan 0.000 0.504 240 A N -0.201 122.573 122.820 -0.077 0.000 1.930 240 A HA -0.167 4.163 4.320 0.016 0.000 0.217 240 A C 2.351 179.890 177.584 -0.076 0.000 1.175 240 A CA 1.401 53.354 52.037 -0.140 0.000 0.627 240 A CB -1.291 17.698 19.000 -0.018 0.000 0.815 240 A HN 0.730 nan 8.150 nan 0.000 0.443 241 Y N 0.607 120.861 120.300 -0.077 0.000 2.200 241 Y HA -0.048 4.512 4.550 0.016 0.000 0.290 241 Y C 2.527 178.395 175.900 -0.054 0.000 1.137 241 Y CA 1.294 59.366 58.100 -0.046 0.000 1.163 241 Y CB -0.508 37.945 38.460 -0.012 0.000 0.988 241 Y HN 0.286 nan 8.280 nan 0.000 0.518 242 A N 0.376 123.117 122.820 -0.131 0.000 1.877 242 A HA -0.193 4.137 4.320 0.016 0.000 0.216 242 A C 2.174 179.605 177.584 -0.256 0.000 1.186 242 A CA 1.807 53.717 52.037 -0.212 0.000 0.620 242 A CB -0.921 18.081 19.000 0.004 0.000 0.822 242 A HN 0.631 nan 8.150 nan 0.000 0.443 243 E N -1.131 118.911 120.200 -0.262 0.000 2.033 243 E HA -0.304 4.056 4.350 0.016 0.000 0.199 243 E C 2.319 178.800 176.600 -0.199 0.000 1.011 243 E CA 1.739 57.996 56.400 -0.238 0.000 0.815 243 E CB -0.120 29.391 29.700 -0.314 0.000 0.755 243 E HN 0.623 nan 8.360 nan 0.000 0.451 244 Q N 0.190 119.862 119.800 -0.212 0.000 2.084 244 Q HA -0.114 4.236 4.340 0.016 0.000 0.202 244 Q C 1.785 177.664 176.000 -0.201 0.000 0.978 244 Q CA 1.816 57.516 55.803 -0.172 0.000 0.844 244 Q CB -0.324 28.335 28.738 -0.132 0.000 0.898 244 Q HN 0.291 nan 8.270 nan 0.000 0.426 245 A N -0.071 122.539 122.820 -0.350 0.000 1.902 245 A HA -0.134 4.196 4.320 0.016 0.000 0.217 245 A C 2.104 179.572 177.584 -0.194 0.000 1.181 245 A CA 1.427 53.254 52.037 -0.349 0.000 0.623 245 A CB -0.668 17.925 19.000 -0.678 0.000 0.818 245 A HN 0.461 nan 8.150 nan 0.000 0.443 246 I N -0.581 119.884 120.570 -0.176 0.000 2.202 246 I HA -0.199 3.980 4.170 0.016 0.000 0.242 246 I C 2.363 178.432 176.117 -0.080 0.000 1.091 246 I CA 1.022 62.257 61.300 -0.108 0.000 1.368 246 I CB -0.352 37.592 38.000 -0.093 0.000 1.058 246 I HN 0.147 nan 8.210 nan 0.000 0.410 247 V N 0.814 120.678 119.914 -0.084 0.000 2.282 247 V HA -0.284 3.845 4.120 0.016 0.000 0.249 247 V C 2.545 178.612 176.094 -0.045 0.000 1.057 247 V CA 1.857 64.122 62.300 -0.059 0.000 1.032 247 V CB -0.685 31.103 31.823 -0.059 0.000 0.645 247 V HN 0.415 nan 8.190 nan 0.000 0.447 248 E N -0.221 119.949 120.200 -0.050 0.000 2.058 248 E HA -0.227 4.133 4.350 0.016 0.000 0.194 248 E C 2.084 178.671 176.600 -0.023 0.000 0.997 248 E CA 1.192 57.578 56.400 -0.025 0.000 0.801 248 E CB -0.574 29.119 29.700 -0.013 0.000 0.746 248 E HN 0.483 nan 8.360 nan 0.000 0.450 249 L N 0.987 122.188 121.223 -0.038 0.000 2.201 249 L HA -0.056 4.294 4.340 0.016 0.000 0.212 249 L C 2.067 178.921 176.870 -0.027 0.000 1.105 249 L CA 1.270 56.092 54.840 -0.030 0.000 0.775 249 L CB -0.250 41.786 42.059 -0.038 0.000 0.913 249 L HN -0.090 nan 8.230 nan 0.000 0.440 250 S N -1.001 114.682 115.700 -0.029 0.000 2.387 250 S HA -0.168 4.311 4.470 0.016 0.000 0.226 250 S C 1.789 176.379 174.600 -0.017 0.000 1.026 250 S CA 0.991 59.177 58.200 -0.023 0.000 0.972 250 S CB -0.266 62.919 63.200 -0.025 0.000 0.814 250 S HN 0.552 nan 8.310 nan 0.000 0.477 251 Q N 1.199 120.990 119.800 -0.015 0.000 2.046 251 Q HA -0.015 4.334 4.340 0.016 0.000 0.200 251 Q C 2.085 178.080 176.000 -0.008 0.000 0.975 251 Q CA 1.312 57.109 55.803 -0.009 0.000 0.836 251 Q CB -0.367 28.369 28.738 -0.003 0.000 0.896 251 Q HN 0.521 nan 8.270 nan 0.000 0.428 252 I N 1.100 121.665 120.570 -0.008 0.000 2.226 252 I HA -0.268 3.912 4.170 0.016 0.000 0.245 252 I C 2.437 178.545 176.117 -0.015 0.000 1.100 252 I CA 1.680 62.974 61.300 -0.009 0.000 1.374 252 I CB -0.208 37.788 38.000 -0.007 0.000 1.057 252 I HN 0.240 nan 8.210 nan 0.000 0.413 253 S N -0.139 115.551 115.700 -0.018 0.000 2.503 253 S HA 0.186 4.665 4.470 0.016 0.000 0.217 253 S C 1.690 176.280 174.600 -0.017 0.000 0.999 253 S CA 0.369 58.557 58.200 -0.021 0.000 0.914 253 S CB 0.384 63.569 63.200 -0.025 0.000 0.782 253 S HN 0.577 nan 8.310 nan 0.000 0.520 254 G N 1.011 109.802 108.800 -0.014 0.000 2.176 254 G HA2 -0.217 3.753 3.960 0.016 0.000 0.252 254 G HA3 -0.217 3.753 3.960 0.016 0.000 0.252 254 G C -0.176 174.718 174.900 -0.011 0.000 1.024 254 G CA 0.414 45.507 45.100 -0.012 0.000 0.755 254 G HN 0.612 nan 8.290 nan 0.000 0.507 255 I N -0.158 120.405 120.570 -0.012 0.000 2.466 255 I HA 0.344 4.524 4.170 0.016 0.000 0.289 255 I C 0.007 176.117 176.117 -0.012 0.000 1.026 255 I CA -1.055 60.239 61.300 -0.010 0.000 1.078 255 I CB 1.958 39.953 38.000 -0.009 0.000 1.249 255 I HN 0.082 nan 8.210 nan 0.000 0.429 256 E N 7.014 127.207 120.200 -0.011 0.000 2.159 256 E HA 0.303 4.663 4.350 0.016 0.000 0.272 256 E C -1.203 175.388 176.600 -0.016 0.000 1.138 256 E CA 0.121 56.512 56.400 -0.014 0.000 0.915 256 E CB 0.300 29.992 29.700 -0.013 0.000 1.028 256 E HN 0.387 nan 8.360 nan 0.000 0.423 257 L N 4.551 125.762 121.223 -0.020 0.000 2.387 257 L HA 0.562 4.912 4.340 0.016 0.000 0.266 257 L C 0.368 177.223 176.870 -0.025 0.000 1.059 257 L CA -0.777 54.050 54.840 -0.021 0.000 0.801 257 L CB 1.076 43.120 42.059 -0.024 0.000 1.223 257 L HN 0.508 nan 8.230 nan 0.000 0.456 258 K N 0.315 120.700 120.400 -0.025 0.000 2.509 258 K HA 0.819 5.148 4.320 0.016 0.000 0.266 258 K C -1.355 175.230 176.600 -0.026 0.000 0.987 258 K CA -1.020 55.251 56.287 -0.026 0.000 0.868 258 K CB 1.762 34.248 32.500 -0.023 0.000 1.421 258 K HN 0.484 nan 8.250 nan 0.000 0.444 259 A N 1.186 123.993 122.820 -0.022 0.000 2.450 259 A HA 0.237 4.567 4.320 0.016 0.000 0.255 259 A C 0.253 177.825 177.584 -0.020 0.000 1.096 259 A CA -0.045 51.982 52.037 -0.016 0.000 0.778 259 A CB 0.425 19.423 19.000 -0.003 0.000 1.031 259 A HN 0.648 nan 8.150 nan 0.000 0.494 260 T N 1.576 116.115 114.554 -0.026 0.000 2.856 260 T HA 0.328 4.688 4.350 0.016 0.000 0.306 260 T C 1.686 176.366 174.700 -0.033 0.000 1.062 260 T CA 0.611 62.687 62.100 -0.041 0.000 1.083 260 T CB 0.591 69.424 68.868 -0.058 0.000 0.984 260 T HN 0.858 nan 8.240 nan 0.000 0.542 261 G N 2.514 111.289 108.800 -0.042 0.000 2.408 261 G HA2 -0.052 3.918 3.960 0.016 0.000 0.217 261 G HA3 -0.052 3.918 3.960 0.016 0.000 0.217 261 G C 0.706 175.590 174.900 -0.026 0.000 1.150 261 G CA 0.271 45.353 45.100 -0.031 0.000 0.776 261 G HN 0.698 nan 8.290 nan 0.000 0.542 262 N N -0.328 118.347 118.700 -0.041 0.000 2.558 262 N HA 0.255 5.005 4.740 0.016 0.000 0.285 262 N C 0.750 176.229 175.510 -0.052 0.000 1.112 262 N CA -0.362 52.667 53.050 -0.034 0.000 0.857 262 N CB 1.545 40.011 38.487 -0.036 0.000 1.376 262 N HN -0.032 nan 8.380 nan 0.000 0.526 263 L N 2.205 123.415 121.223 -0.022 0.000 2.217 263 L HA 0.020 4.370 4.340 0.016 0.000 0.211 263 L C 2.058 178.918 176.870 -0.016 0.000 1.107 263 L CA 0.648 55.476 54.840 -0.019 0.000 0.783 263 L CB 0.016 42.083 42.059 0.014 0.000 0.919 263 L HN 0.321 nan 8.230 nan 0.000 0.442 264 V N -0.259 119.663 119.914 0.013 0.000 2.295 264 V HA -0.277 3.853 4.120 0.016 0.000 0.246 264 V C 2.616 178.713 176.094 0.005 0.000 1.049 264 V CA 1.919 64.259 62.300 0.066 0.000 1.024 264 V CB -0.509 31.380 31.823 0.110 0.000 0.648 264 V HN 0.498 nan 8.190 nan 0.000 0.447 265 E N 0.692 120.826 120.200 -0.109 0.000 2.058 265 E HA -0.264 4.096 4.350 0.016 0.000 0.194 265 E C 2.183 178.360 176.600 -0.706 0.000 0.997 265 E CA 1.869 57.987 56.400 -0.471 0.000 0.801 265 E CB -0.179 29.328 29.700 -0.321 0.000 0.746 265 E HN 0.538 nan 8.360 nan 0.000 0.450 266 A N 0.389 123.003 122.820 -0.343 0.000 2.066 266 A HA -0.082 4.247 4.320 0.016 0.000 0.218 266 A C 2.293 179.771 177.584 -0.178 0.000 1.157 266 A CA 1.473 53.354 52.037 -0.261 0.000 0.670 266 A CB -0.501 18.418 19.000 -0.135 0.000 0.804 266 A HN 0.309 nan 8.150 nan 0.000 0.453 267 S N -0.596 115.028 115.700 -0.126 0.000 2.383 267 S HA -0.143 4.337 4.470 0.016 0.000 0.229 267 S C 1.673 176.337 174.600 0.107 0.000 1.030 267 S CA 1.681 59.898 58.200 0.028 0.000 1.002 267 S CB -0.366 62.902 63.200 0.113 0.000 0.829 267 S HN 0.904 nan 8.310 nan 0.000 0.467 268 W N 0.156 121.489 121.300 0.056 0.000 2.901 268 W HA 0.388 5.057 4.660 0.015 0.000 0.281 268 W C -0.209 176.361 176.519 0.085 0.000 1.167 268 W CA -0.210 57.172 57.345 0.061 0.000 1.506 268 W CB -0.876 28.610 29.460 0.044 0.000 0.985 268 W HN 0.159 nan 8.180 nan 0.000 0.590 269 D N 3.087 123.282 120.400 -0.341 0.000 2.358 269 D HA 0.061 4.711 4.640 0.016 0.000 0.258 269 D C 1.198 177.515 176.300 0.029 0.000 1.223 269 D CA 0.884 54.727 54.000 -0.262 0.000 0.886 269 D CB 1.458 41.906 40.800 -0.586 0.000 1.120 269 D HN 0.049 nan 8.370 nan 0.000 0.482 270 T N 0.051 114.723 114.554 0.197 0.000 3.105 270 T HA 0.225 4.585 4.350 0.016 0.000 0.253 270 T C 1.889 176.708 174.700 0.198 0.000 1.047 270 T CA 0.018 62.309 62.100 0.318 0.000 0.944 270 T CB 0.395 69.531 68.868 0.448 0.000 1.016 270 T HN 0.295 nan 8.240 nan 0.000 0.544 271 G N 1.943 110.791 108.800 0.081 0.000 2.503 271 G HA2 -0.148 3.822 3.960 0.016 0.000 0.221 271 G HA3 -0.148 3.822 3.960 0.016 0.000 0.221 271 G C 1.739 176.641 174.900 0.004 0.000 1.131 271 G CA 0.782 45.913 45.100 0.052 0.000 0.756 271 G HN 0.714 nan 8.290 nan 0.000 0.572 272 A N 0.069 122.813 122.820 -0.127 0.000 2.015 272 A HA 0.197 4.527 4.320 0.016 0.000 0.219 272 A C 2.095 179.665 177.584 -0.024 0.000 1.163 272 A CA 1.270 53.188 52.037 -0.199 0.000 0.646 272 A CB -0.414 18.362 19.000 -0.373 0.000 0.806 272 A HN 0.283 nan 8.150 nan 0.000 0.448 273 F N -0.306 119.801 119.950 0.263 0.000 2.146 273 F HA -0.092 4.444 4.527 0.015 0.000 0.298 273 F C 2.417 178.365 175.800 0.246 0.000 1.096 273 F CA 1.044 59.221 58.000 0.294 0.000 1.275 273 F CB -0.935 38.174 39.000 0.181 0.000 1.008 273 F HN 0.017 nan 8.300 nan 0.000 0.480 274 V N -0.457 119.651 119.914 0.324 0.000 2.332 274 V HA -0.300 3.830 4.120 0.016 0.000 0.248 274 V C 2.261 178.452 176.094 0.163 0.000 1.055 274 V CA 2.432 64.857 62.300 0.208 0.000 1.038 274 V CB -1.149 30.766 31.823 0.153 0.000 0.651 274 V HN 0.375 nan 8.190 nan 0.000 0.450 275 T N -0.305 114.331 114.554 0.136 0.000 2.821 275 T HA -0.148 4.212 4.350 0.016 0.000 0.267 275 T C 1.660 176.435 174.700 0.125 0.000 1.046 275 T CA 1.688 63.837 62.100 0.081 0.000 1.139 275 T CB -0.336 68.541 68.868 0.015 0.000 0.871 275 T HN 0.440 nan 8.240 nan 0.000 0.454 276 F N 1.495 121.488 119.950 0.072 0.000 2.128 276 F HA 0.008 4.547 4.527 0.021 0.000 0.295 276 F C 2.726 178.602 175.800 0.126 0.000 1.100 276 F CA 1.020 59.093 58.000 0.121 0.000 1.260 276 F CB -0.594 38.614 39.000 0.346 0.000 1.009 276 F HN 0.023 nan 8.300 nan 0.000 0.476 277 S N -0.064 115.782 115.700 0.243 0.000 2.387 277 S HA -0.187 4.293 4.470 0.016 0.000 0.230 277 S C 2.335 176.927 174.600 -0.014 0.000 1.035 277 S CA 1.440 59.696 58.200 0.093 0.000 1.014 277 S CB -1.180 62.111 63.200 0.151 0.000 0.836 277 S HN 0.607 nan 8.310 nan 0.000 0.466 278 G N 1.020 109.823 108.800 0.006 0.000 2.442 278 G HA2 -0.219 3.751 3.960 0.016 0.000 0.219 278 G HA3 -0.219 3.751 3.960 0.016 0.000 0.219 278 G C 1.375 176.230 174.900 -0.075 0.000 1.141 278 G CA 1.101 46.188 45.100 -0.021 0.000 0.763 278 G HN 0.584 nan 8.290 nan 0.000 0.554 279 I N 0.385 120.870 120.570 -0.141 0.000 2.439 279 I HA 0.047 4.227 4.170 0.016 0.000 0.251 279 I C 2.368 178.355 176.117 -0.216 0.000 1.139 279 I CA 0.827 62.015 61.300 -0.186 0.000 1.438 279 I CB -0.083 37.781 38.000 -0.227 0.000 1.085 279 I HN 0.128 nan 8.210 nan 0.000 0.427 280 L N 0.214 121.274 121.223 -0.271 0.000 2.201 280 L HA -0.085 4.265 4.340 0.016 0.000 0.212 280 L C 2.643 179.449 176.870 -0.107 0.000 1.105 280 L CA 0.791 55.514 54.840 -0.196 0.000 0.775 280 L CB -0.842 41.110 42.059 -0.179 0.000 0.913 280 L HN 0.267 nan 8.230 nan 0.000 0.440 281 R N 0.932 121.383 120.500 -0.082 0.000 2.093 281 R HA -0.109 4.241 4.340 0.016 0.000 0.224 281 R C 2.343 178.617 176.300 -0.043 0.000 1.101 281 R CA 1.096 57.171 56.100 -0.042 0.000 0.979 281 R CB -0.145 30.143 30.300 -0.020 0.000 0.877 281 R HN 0.298 nan 8.270 nan 0.000 0.441 282 R N 0.399 120.865 120.500 -0.056 0.000 2.073 282 R HA -0.097 4.253 4.340 0.016 0.000 0.234 282 R C 2.332 178.597 176.300 -0.058 0.000 1.134 282 R CA 1.593 57.662 56.100 -0.051 0.000 0.952 282 R CB -0.400 29.866 30.300 -0.055 0.000 0.850 282 R HN 0.184 nan 8.270 nan 0.000 0.433 283 I N 1.182 121.706 120.570 -0.076 0.000 2.163 283 I HA -0.289 3.890 4.170 0.016 0.000 0.243 283 I C 2.638 178.713 176.117 -0.070 0.000 1.085 283 I CA 1.574 62.829 61.300 -0.074 0.000 1.347 283 I CB -0.348 37.601 38.000 -0.085 0.000 1.044 283 I HN 0.353 nan 8.210 nan 0.000 0.408 284 A N 0.042 122.821 122.820 -0.067 0.000 1.883 284 A HA -0.182 4.147 4.320 0.016 0.000 0.217 284 A C 2.460 180.007 177.584 -0.062 0.000 1.186 284 A CA 1.958 53.954 52.037 -0.069 0.000 0.624 284 A CB -1.096 17.872 19.000 -0.053 0.000 0.822 284 A HN 0.238 nan 8.150 nan 0.000 0.444 285 V N -0.039 119.854 119.914 -0.035 0.000 2.255 285 V HA -0.320 3.810 4.120 0.016 0.000 0.247 285 V C 2.556 178.625 176.094 -0.042 0.000 1.051 285 V CA 2.600 64.889 62.300 -0.018 0.000 1.018 285 V CB -0.641 31.179 31.823 -0.004 0.000 0.641 285 V HN 0.585 nan 8.190 nan 0.000 0.445 286 K N -0.742 119.627 120.400 -0.052 0.000 2.002 286 K HA -0.193 4.137 4.320 0.016 0.000 0.209 286 K C 2.072 178.609 176.600 -0.104 0.000 1.048 286 K CA 1.579 57.826 56.287 -0.066 0.000 0.930 286 K CB -0.472 31.993 32.500 -0.057 0.000 0.714 286 K HN 0.262 nan 8.250 nan 0.000 0.438 287 L N 1.046 122.207 121.223 -0.103 0.000 2.013 287 L HA -0.217 4.133 4.340 0.016 0.000 0.212 287 L C 2.266 179.041 176.870 -0.159 0.000 1.073 287 L CA 1.826 56.591 54.840 -0.125 0.000 0.753 287 L CB -0.957 41.042 42.059 -0.100 0.000 0.890 287 L HN 0.083 nan 8.230 nan 0.000 0.432 288 S N -1.013 114.597 115.700 -0.150 0.000 2.383 288 S HA -0.231 4.249 4.470 0.016 0.000 0.229 288 S C 2.183 176.700 174.600 -0.138 0.000 1.030 288 S CA 1.443 59.539 58.200 -0.173 0.000 1.002 288 S CB -0.415 62.693 63.200 -0.154 0.000 0.829 288 S HN 0.474 nan 8.310 nan 0.000 0.467 289 K N 0.969 121.297 120.400 -0.119 0.000 2.057 289 K HA -0.019 4.311 4.320 0.016 0.000 0.206 289 K C 2.026 178.505 176.600 -0.202 0.000 1.050 289 K CA 1.395 57.617 56.287 -0.109 0.000 0.935 289 K CB -0.589 31.866 32.500 -0.075 0.000 0.715 289 K HN 0.494 nan 8.250 nan 0.000 0.439 290 I N 1.191 121.563 120.570 -0.331 0.000 2.163 290 I HA -0.283 3.897 4.170 0.016 0.000 0.243 290 I C 2.523 178.369 176.117 -0.451 0.000 1.085 290 I CA 1.382 62.289 61.300 -0.655 0.000 1.347 290 I CB -0.402 37.111 38.000 -0.812 0.000 1.044 290 I HN 0.137 nan 8.210 nan 0.000 0.408 291 A N 0.928 123.586 122.820 -0.270 0.000 1.940 291 A HA -0.229 4.101 4.320 0.016 0.000 0.219 291 A C 2.045 179.555 177.584 -0.123 0.000 1.176 291 A CA 2.028 53.963 52.037 -0.171 0.000 0.631 291 A CB -0.710 18.203 19.000 -0.145 0.000 0.814 291 A HN 0.442 nan 8.150 nan 0.000 0.446 292 N N 0.522 119.154 118.700 -0.113 0.000 2.166 292 N HA -0.125 4.625 4.740 0.016 0.000 0.186 292 N C 1.089 176.576 175.510 -0.038 0.000 1.019 292 N CA 1.577 54.594 53.050 -0.053 0.000 0.856 292 N CB -0.494 37.976 38.487 -0.028 0.000 0.993 292 N HN 0.448 nan 8.380 nan 0.000 0.426 293 D N 0.692 121.050 120.400 -0.071 0.000 2.117 293 D HA -0.035 4.614 4.640 0.016 0.000 0.197 293 D C 2.070 178.388 176.300 0.030 0.000 0.987 293 D CA 0.491 54.490 54.000 -0.001 0.000 0.829 293 D CB -0.261 40.562 40.800 0.039 0.000 0.961 293 D HN 0.226 nan 8.370 nan 0.000 0.460 294 L N 0.157 121.365 121.223 -0.025 0.000 2.201 294 L HA -0.053 4.297 4.340 0.016 0.000 0.212 294 L C 2.431 179.332 176.870 0.051 0.000 1.105 294 L CA 0.806 55.672 54.840 0.045 0.000 0.775 294 L CB -0.158 41.914 42.059 0.021 0.000 0.913 294 L HN -0.034 nan 8.230 nan 0.000 0.440 295 R N -0.487 120.025 120.500 0.020 0.000 2.073 295 R HA -0.109 4.241 4.340 0.016 0.000 0.229 295 R C 2.194 178.515 176.300 0.035 0.000 1.120 295 R CA 0.888 57.004 56.100 0.025 0.000 0.967 295 R CB -0.375 29.933 30.300 0.012 0.000 0.862 295 R HN 0.150 nan 8.270 nan 0.000 0.436 296 L N 1.228 122.472 121.223 0.035 0.000 2.027 296 L HA -0.102 4.248 4.340 0.016 0.000 0.206 296 L C 1.984 178.885 176.870 0.052 0.000 1.074 296 L CA 1.635 56.498 54.840 0.040 0.000 0.745 296 L CB -0.431 41.650 42.059 0.038 0.000 0.898 296 L HN 0.119 nan 8.230 nan 0.000 0.433 297 L N -0.778 120.490 121.223 0.075 0.000 2.265 297 L HA -0.129 4.221 4.340 0.016 0.000 0.215 297 L C 2.040 178.956 176.870 0.075 0.000 1.117 297 L CA 1.232 56.126 54.840 0.090 0.000 0.782 297 L CB -0.564 41.586 42.059 0.153 0.000 0.914 297 L HN 0.508 nan 8.230 nan 0.000 0.441 298 S N -2.124 113.619 115.700 0.072 0.000 2.539 298 S HA 0.085 4.564 4.470 0.016 0.000 0.221 298 S C 0.875 175.499 174.600 0.041 0.000 0.987 298 S CA -0.262 57.973 58.200 0.059 0.000 0.929 298 S CB -0.187 63.056 63.200 0.072 0.000 0.832 298 S HN 0.345 nan 8.310 nan 0.000 0.492 299 S N 0.696 116.418 115.700 0.036 0.000 2.559 299 S HA 0.591 5.071 4.470 0.016 0.000 0.282 299 S C 0.914 175.527 174.600 0.022 0.000 1.336 299 S CA 0.251 58.467 58.200 0.027 0.000 1.037 299 S CB 0.278 63.493 63.200 0.025 0.000 0.853 299 S HN 1.560 nan 8.310 nan 0.000 0.523 300 G N 1.462 110.274 108.800 0.018 0.000 2.233 300 G HA2 0.100 4.070 3.960 0.016 0.000 0.162 300 G HA3 0.100 4.070 3.960 0.016 0.000 0.162 300 G C -2.189 172.720 174.900 0.014 0.000 1.327 300 G CA -0.160 44.949 45.100 0.015 0.000 1.187 300 G HN 0.677 nan 8.290 nan 0.000 0.479 301 P HA 0.124 nan 4.420 nan 0.000 0.222 301 P C 1.443 178.747 177.300 0.007 0.000 1.153 301 P CA 0.913 64.019 63.100 0.011 0.000 0.798 301 P CB 0.176 31.881 31.700 0.010 0.000 0.796 302 R N -0.784 119.720 120.500 0.007 0.000 2.221 302 R HA 0.233 4.583 4.340 0.016 0.000 0.195 302 R C 1.658 177.961 176.300 0.005 0.000 0.956 302 R CA 0.549 56.652 56.100 0.005 0.000 1.064 302 R CB 0.074 30.376 30.300 0.004 0.000 1.049 302 R HN -0.013 nan 8.270 nan 0.000 0.534 303 S N -0.039 115.664 115.700 0.006 0.000 2.575 303 S HA 0.315 4.795 4.470 0.016 0.000 0.237 303 S C 0.328 174.933 174.600 0.008 0.000 0.975 303 S CA -0.231 57.973 58.200 0.006 0.000 0.960 303 S CB 1.325 64.529 63.200 0.006 0.000 0.822 303 S HN 0.432 nan 8.310 nan 0.000 0.472 304 G N 0.577 109.383 108.800 0.010 0.000 3.008 304 G HA2 0.546 4.516 3.960 0.016 0.000 0.181 304 G HA3 0.546 4.516 3.960 0.016 0.000 0.181 304 G C 0.523 175.430 174.900 0.011 0.000 1.309 304 G CA -0.578 44.529 45.100 0.012 0.000 1.009 304 G HN 0.235 nan 8.290 nan 0.000 0.584 305 L N 0.160 121.392 121.223 0.015 0.000 2.127 305 L HA 0.178 4.528 4.340 0.016 0.000 0.203 305 L C 2.254 179.130 176.870 0.010 0.000 1.080 305 L CA 0.949 55.798 54.840 0.014 0.000 0.768 305 L CB -0.666 41.407 42.059 0.022 0.000 0.924 305 L HN 0.839 nan 8.230 nan 0.000 0.444 306 G N 0.750 109.558 108.800 0.014 0.000 2.258 306 G HA2 -0.307 3.663 3.960 0.016 0.000 0.274 306 G HA3 -0.307 3.663 3.960 0.016 0.000 0.274 306 G C 0.696 175.593 174.900 -0.005 0.000 1.021 306 G CA 0.815 45.919 45.100 0.007 0.000 0.798 306 G HN 0.511 nan 8.290 nan 0.000 0.507 307 E N -0.914 119.284 120.200 -0.003 0.000 2.230 307 E HA 0.185 4.544 4.350 0.016 0.000 0.192 307 E C 1.591 178.155 176.600 -0.060 0.000 0.987 307 E CA 1.002 57.384 56.400 -0.030 0.000 0.841 307 E CB 0.184 29.875 29.700 -0.015 0.000 0.783 307 E HN 0.900 nan 8.360 nan 0.000 0.481 308 I N -2.460 118.103 120.570 -0.012 0.000 3.002 308 I HA 0.561 4.740 4.170 0.016 0.000 0.310 308 I C -0.613 175.521 176.117 0.027 0.000 1.087 308 I CA -1.381 59.912 61.300 -0.012 0.000 1.017 308 I CB 2.087 40.132 38.000 0.075 0.000 1.226 308 I HN -0.348 nan 8.210 nan 0.000 0.443 309 R N 3.136 123.658 120.500 0.038 0.000 2.451 309 R HA 0.639 4.989 4.340 0.016 0.000 0.307 309 R C -1.360 174.992 176.300 0.087 0.000 0.965 309 R CA -0.533 55.598 56.100 0.052 0.000 0.865 309 R CB 1.446 31.766 30.300 0.033 0.000 1.174 309 R HN 0.657 nan 8.270 nan 0.000 0.455 310 L N 4.806 126.083 121.223 0.089 0.000 2.395 310 L HA 0.480 4.830 4.340 0.016 0.000 0.269 310 L C -1.832 175.080 176.870 0.072 0.000 1.133 310 L CA -2.240 52.659 54.840 0.099 0.000 0.812 310 L CB 0.637 42.751 42.059 0.092 0.000 1.125 310 L HN 0.380 nan 8.230 nan 0.000 0.452 311 P HA 0.043 nan 4.420 nan 0.000 0.263 311 P C -0.628 176.696 177.300 0.039 0.000 1.195 311 P CA -0.180 62.950 63.100 0.050 0.000 0.762 311 P CB 0.638 32.366 31.700 0.046 0.000 0.799 312 A N 3.691 126.530 122.820 0.032 0.000 2.473 312 A HA 0.211 4.541 4.320 0.016 0.000 0.282 312 A C 1.181 178.778 177.584 0.022 0.000 1.163 312 A CA -0.098 51.955 52.037 0.026 0.000 0.827 312 A CB -0.668 18.346 19.000 0.023 0.000 1.098 312 A HN 0.515 nan 8.150 nan 0.000 0.515 313 V N 0.372 120.298 119.914 0.020 0.000 3.660 313 V HA 0.180 4.310 4.120 0.016 0.000 0.276 313 V C 0.619 176.721 176.094 0.014 0.000 1.317 313 V CA 0.535 62.844 62.300 0.016 0.000 1.097 313 V CB -0.958 30.874 31.823 0.015 0.000 0.863 313 V HN 0.797 nan 8.190 nan 0.000 0.438 314 Q N 1.548 121.357 119.800 0.015 0.000 2.316 314 Q HA 0.505 4.855 4.340 0.016 0.000 0.264 314 Q C -2.625 173.383 176.000 0.013 0.000 0.987 314 Q CA -1.939 53.872 55.803 0.013 0.000 0.852 314 Q CB 2.163 30.910 28.738 0.014 0.000 1.287 314 Q HN 0.323 nan 8.270 nan 0.000 0.448 315 P HA 0.216 nan 4.420 nan 0.000 0.267 315 P C -0.749 176.557 177.300 0.011 0.000 1.200 315 P CA -0.109 62.998 63.100 0.011 0.000 0.772 315 P CB 0.790 32.496 31.700 0.010 0.000 0.855 316 G N -0.116 108.691 108.800 0.011 0.000 2.818 316 G HA2 0.478 4.448 3.960 0.016 0.000 0.286 316 G HA3 0.478 4.448 3.960 0.016 0.000 0.286 316 G C -1.131 173.775 174.900 0.009 0.000 1.364 316 G CA -0.525 44.581 45.100 0.010 0.000 0.938 316 G HN 0.479 nan 8.290 nan 0.000 0.490 317 S N -0.719 114.986 115.700 0.009 0.000 2.523 317 S HA 0.283 4.763 4.470 0.016 0.000 0.275 317 S C 1.815 176.420 174.600 0.008 0.000 1.281 317 S CA 0.407 58.612 58.200 0.008 0.000 1.050 317 S CB 1.174 64.379 63.200 0.008 0.000 0.937 317 S HN 0.856 nan 8.310 nan 0.000 0.492 318 S N 4.143 119.848 115.700 0.007 0.000 2.400 318 S HA -0.091 4.388 4.470 0.016 0.000 0.232 318 S C 1.499 176.103 174.600 0.006 0.000 1.025 318 S CA 1.309 59.513 58.200 0.007 0.000 0.993 318 S CB -0.396 62.808 63.200 0.006 0.000 0.808 318 S HN 0.810 nan 8.310 nan 0.000 0.478 319 I N -0.056 120.518 120.570 0.006 0.000 3.578 319 I HA 0.266 4.446 4.170 0.016 0.000 0.295 319 I C 0.641 176.761 176.117 0.006 0.000 1.280 319 I CA 0.384 61.688 61.300 0.006 0.000 1.347 319 I CB 0.177 38.180 38.000 0.005 0.000 1.051 319 I HN 0.303 nan 8.210 nan 0.000 0.460 320 M N 2.429 122.033 119.600 0.007 0.000 3.074 320 M HA 0.398 4.888 4.480 0.016 0.000 0.252 320 M C -2.532 173.773 176.300 0.008 0.000 1.181 320 M CA -2.549 52.755 55.300 0.007 0.000 0.771 320 M CB 0.172 32.777 32.600 0.008 0.000 1.375 320 M HN -0.186 nan 8.290 nan 0.000 0.512 321 P HA 0.486 nan 4.420 nan 0.000 0.274 321 P C 0.775 178.080 177.300 0.009 0.000 1.237 321 P CA 0.656 63.761 63.100 0.009 0.000 0.793 321 P CB 0.962 32.667 31.700 0.008 0.000 0.977 322 G N 0.483 109.289 108.800 0.011 0.000 2.225 322 G HA2 -0.261 3.709 3.960 0.016 0.000 0.254 322 G HA3 -0.261 3.709 3.960 0.016 0.000 0.254 322 G C 0.305 175.213 174.900 0.013 0.000 0.988 322 G CA 0.298 45.405 45.100 0.011 0.000 0.625 322 G HN 0.750 nan 8.290 nan 0.000 0.527 323 K N 0.977 121.384 120.400 0.013 0.000 2.315 323 K HA 0.484 4.814 4.320 0.016 0.000 0.291 323 K C -0.315 176.294 176.600 0.016 0.000 1.074 323 K CA -0.211 56.084 56.287 0.014 0.000 0.936 323 K CB 0.460 32.968 32.500 0.013 0.000 1.049 323 K HN 0.054 nan 8.250 nan 0.000 0.471 324 V N 5.776 125.701 119.914 0.019 0.000 2.266 324 V HA 0.109 4.238 4.120 0.016 0.000 0.271 324 V C -0.520 175.588 176.094 0.023 0.000 1.032 324 V CA -1.164 61.150 62.300 0.022 0.000 0.806 324 V CB 0.744 32.583 31.823 0.026 0.000 1.052 324 V HN 0.756 nan 8.190 nan 0.000 0.449 325 N N 6.454 125.166 118.700 0.021 0.000 2.447 325 N HA 0.141 4.891 4.740 0.016 0.000 0.263 325 N C -2.050 173.474 175.510 0.022 0.000 1.226 325 N CA -1.079 51.983 53.050 0.020 0.000 0.906 325 N CB 1.109 39.606 38.487 0.018 0.000 1.060 325 N HN 0.371 nan 8.380 nan 0.000 0.468 326 P HA 0.065 nan 4.420 nan 0.000 0.226 326 P C 0.713 178.022 177.300 0.015 0.000 1.783 326 P CA -0.052 63.062 63.100 0.024 0.000 0.980 326 P CB 0.183 31.898 31.700 0.025 0.000 1.967 327 V N 1.499 121.422 119.914 0.015 0.000 2.488 327 V HA -0.149 3.981 4.120 0.016 0.000 0.246 327 V C 2.309 178.404 176.094 0.002 0.000 1.046 327 V CA 1.286 63.592 62.300 0.010 0.000 1.053 327 V CB -0.451 31.379 31.823 0.012 0.000 0.679 327 V HN 0.195 nan 8.190 nan 0.000 0.458 328 I N 0.509 121.081 120.570 0.003 0.000 2.163 328 I HA -0.073 4.107 4.170 0.016 0.000 0.240 328 I C 0.040 176.145 176.117 -0.020 0.000 1.081 328 I CA 1.511 62.807 61.300 -0.007 0.000 1.353 328 I CB -2.890 35.108 38.000 -0.003 0.000 1.054 328 I HN 0.319 nan 8.210 nan 0.000 0.407 329 P HA -0.160 nan 4.420 nan 0.000 0.216 329 P C 1.562 178.831 177.300 -0.052 0.000 1.150 329 P CA 1.467 64.544 63.100 -0.038 0.000 0.837 329 P CB -0.066 31.618 31.700 -0.027 0.000 0.786 330 E N -0.162 120.021 120.200 -0.030 0.000 2.085 330 E HA -0.175 4.185 4.350 0.016 0.000 0.194 330 E C 2.164 178.738 176.600 -0.043 0.000 0.994 330 E CA 1.841 58.225 56.400 -0.027 0.000 0.801 330 E CB -0.550 29.149 29.700 -0.001 0.000 0.743 330 E HN 0.348 nan 8.360 nan 0.000 0.453 331 S N 0.461 116.140 115.700 -0.035 0.000 2.399 331 S HA -0.114 4.366 4.470 0.016 0.000 0.231 331 S C 2.164 176.724 174.600 -0.066 0.000 1.022 331 S CA 0.940 59.118 58.200 -0.036 0.000 0.983 331 S CB -0.357 62.828 63.200 -0.024 0.000 0.803 331 S HN 0.043 nan 8.310 nan 0.000 0.480 332 V N 3.080 122.943 119.914 -0.085 0.000 2.323 332 V HA -0.151 3.979 4.120 0.016 0.000 0.244 332 V C 2.311 178.286 176.094 -0.198 0.000 1.041 332 V CA 2.127 64.357 62.300 -0.117 0.000 1.025 332 V CB -1.275 30.485 31.823 -0.104 0.000 0.656 332 V HN 0.532 nan 8.190 nan 0.000 0.451 333 N N -0.054 118.497 118.700 -0.248 0.000 2.149 333 N HA -0.236 4.514 4.740 0.016 0.000 0.188 333 N C 1.852 177.001 175.510 -0.601 0.000 1.019 333 N CA 1.359 54.104 53.050 -0.508 0.000 0.857 333 N CB -0.176 38.051 38.487 -0.434 0.000 0.997 333 N HN 0.588 nan 8.380 nan 0.000 0.426 334 Q N 0.045 119.700 119.800 -0.243 0.000 2.172 334 Q HA -0.035 4.315 4.340 0.016 0.000 0.200 334 Q C 1.998 177.948 176.000 -0.084 0.000 0.964 334 Q CA 0.857 56.611 55.803 -0.082 0.000 0.855 334 Q CB 0.072 28.812 28.738 0.003 0.000 0.918 334 Q HN 0.251 nan 8.270 nan 0.000 0.444 335 V N 0.368 120.213 119.914 -0.116 0.000 2.358 335 V HA -0.288 3.842 4.120 0.016 0.000 0.246 335 V C 2.348 178.383 176.094 -0.100 0.000 1.047 335 V CA 1.480 63.731 62.300 -0.082 0.000 1.035 335 V CB -0.453 31.326 31.823 -0.073 0.000 0.658 335 V HN 0.509 nan 8.190 nan 0.000 0.452 336 C N -0.679 118.506 119.300 -0.192 0.000 2.413 336 C HA -0.188 4.282 4.460 0.016 0.000 0.276 336 C C 2.578 177.529 174.990 -0.065 0.000 1.248 336 C CA 0.669 59.577 59.018 -0.184 0.000 1.742 336 C CB -1.229 26.336 27.740 -0.292 0.000 2.017 336 C HN 0.585 nan 8.230 nan 0.000 0.481 337 Y N 0.998 121.286 120.300 -0.020 0.000 2.200 337 Y HA -0.166 4.378 4.550 -0.011 0.000 0.290 337 Y C 2.605 178.497 175.900 -0.013 0.000 1.137 337 Y CA 1.563 59.654 58.100 -0.015 0.000 1.163 337 Y CB -1.324 37.129 38.460 -0.012 0.000 0.988 337 Y HN 0.350 nan 8.280 nan 0.000 0.518 338 Q N 0.244 120.117 119.800 0.122 0.000 2.084 338 Q HA -0.118 4.232 4.340 0.016 0.000 0.202 338 Q C 2.188 178.208 176.000 0.034 0.000 0.978 338 Q CA 1.740 57.582 55.803 0.064 0.000 0.844 338 Q CB -0.481 28.277 28.738 0.033 0.000 0.898 338 Q HN 0.289 nan 8.270 nan 0.000 0.426 339 V N 0.250 120.173 119.914 0.016 0.000 2.427 339 V HA -0.233 3.897 4.120 0.016 0.000 0.248 339 V C 2.146 178.249 176.094 0.014 0.000 1.051 339 V CA 1.682 63.980 62.300 -0.003 0.000 1.048 339 V CB -0.447 31.361 31.823 -0.024 0.000 0.666 339 V HN 0.408 nan 8.190 nan 0.000 0.456 340 I N 0.472 121.067 120.570 0.041 0.000 2.226 340 I HA -0.152 4.028 4.170 0.016 0.000 0.245 340 I C 2.575 178.716 176.117 0.040 0.000 1.100 340 I CA 1.673 63.002 61.300 0.048 0.000 1.374 340 I CB -0.896 37.155 38.000 0.084 0.000 1.057 340 I HN 0.398 nan 8.210 nan 0.000 0.413 341 G N 0.873 109.701 108.800 0.047 0.000 2.421 341 G HA2 -0.253 3.716 3.960 0.016 0.000 0.216 341 G HA3 -0.253 3.716 3.960 0.016 0.000 0.216 341 G C 1.410 176.326 174.900 0.028 0.000 1.171 341 G CA 0.748 45.870 45.100 0.036 0.000 0.775 341 G HN 0.285 nan 8.290 nan 0.000 0.543 342 N N 0.881 119.593 118.700 0.019 0.000 2.149 342 N HA -0.108 4.642 4.740 0.016 0.000 0.188 342 N C 1.783 177.301 175.510 0.013 0.000 1.019 342 N CA 1.446 54.498 53.050 0.004 0.000 0.857 342 N CB -0.451 38.019 38.487 -0.029 0.000 0.997 342 N HN 0.435 nan 8.380 nan 0.000 0.426 343 D N -0.018 120.394 120.400 0.020 0.000 2.178 343 D HA -0.112 4.538 4.640 0.016 0.000 0.201 343 D C 1.843 178.166 176.300 0.038 0.000 0.980 343 D CA 0.391 54.411 54.000 0.032 0.000 0.842 343 D CB -0.065 40.751 40.800 0.026 0.000 0.948 343 D HN 0.095 nan 8.370 nan 0.000 0.472 344 L N 0.139 121.380 121.223 0.030 0.000 2.056 344 L HA -0.045 4.305 4.340 0.016 0.000 0.207 344 L C 2.150 179.036 176.870 0.028 0.000 1.078 344 L CA 1.805 56.663 54.840 0.029 0.000 0.749 344 L CB -1.157 40.915 42.059 0.022 0.000 0.901 344 L HN 0.003 nan 8.230 nan 0.000 0.433 345 T N -0.738 113.831 114.554 0.026 0.000 2.699 345 T HA -0.204 4.155 4.350 0.016 0.000 0.268 345 T C 1.982 176.696 174.700 0.022 0.000 1.036 345 T CA 1.875 63.988 62.100 0.021 0.000 1.147 345 T CB -0.489 68.396 68.868 0.029 0.000 0.862 345 T HN 0.234 nan 8.240 nan 0.000 0.446 346 V N 1.510 121.446 119.914 0.037 0.000 2.295 346 V HA -0.199 3.931 4.120 0.016 0.000 0.246 346 V C 2.787 178.932 176.094 0.085 0.000 1.049 346 V CA 2.151 64.488 62.300 0.062 0.000 1.024 346 V CB -1.306 30.571 31.823 0.090 0.000 0.648 346 V HN 0.539 nan 8.190 nan 0.000 0.447 347 T N 0.181 114.781 114.554 0.076 0.000 2.665 347 T HA -0.264 4.096 4.350 0.016 0.000 0.268 347 T C 1.873 176.610 174.700 0.063 0.000 1.035 347 T CA 2.003 64.148 62.100 0.076 0.000 1.151 347 T CB -0.307 68.596 68.868 0.057 0.000 0.862 347 T HN 0.309 nan 8.240 nan 0.000 0.438 348 M N 0.705 120.326 119.600 0.034 0.000 2.156 348 M HA 0.038 4.528 4.480 0.016 0.000 0.264 348 M C 2.951 179.253 176.300 0.003 0.000 1.067 348 M CA 1.334 56.640 55.300 0.009 0.000 1.131 348 M CB -0.816 31.770 32.600 -0.023 0.000 1.368 348 M HN 0.326 nan 8.290 nan 0.000 0.416 349 A N 0.987 123.809 122.820 0.002 0.000 1.865 349 A HA -0.095 4.235 4.320 0.016 0.000 0.217 349 A C 2.435 180.129 177.584 0.183 0.000 1.191 349 A CA 2.292 54.351 52.037 0.037 0.000 0.623 349 A CB -1.099 17.933 19.000 0.053 0.000 0.826 349 A HN 0.488 nan 8.150 nan 0.000 0.444 350 A N -0.886 122.036 122.820 0.170 0.000 1.978 350 A HA -0.208 4.121 4.320 0.016 0.000 0.220 350 A C 2.041 179.746 177.584 0.201 0.000 1.170 350 A CA 1.894 54.059 52.037 0.214 0.000 0.636 350 A CB -0.453 18.673 19.000 0.210 0.000 0.810 350 A HN 0.570 nan 8.150 nan 0.000 0.448 351 E N 0.317 120.608 120.200 0.151 0.000 2.274 351 E HA -0.043 4.317 4.350 0.016 0.000 0.194 351 E C 0.789 177.471 176.600 0.137 0.000 0.996 351 E CA 0.974 57.450 56.400 0.126 0.000 0.840 351 E CB -0.034 29.715 29.700 0.083 0.000 0.772 351 E HN 0.515 nan 8.360 nan 0.000 0.491 352 S N 0.234 116.045 115.700 0.186 0.000 2.622 352 S HA 0.248 4.728 4.470 0.016 0.000 0.236 352 S C 0.516 175.295 174.600 0.299 0.000 0.956 352 S CA 0.063 58.402 58.200 0.232 0.000 0.971 352 S CB 0.718 64.046 63.200 0.213 0.000 0.782 352 S HN 0.256 nan 8.310 nan 0.000 0.468 353 G N 1.490 110.423 108.800 0.222 0.000 2.441 353 G HA2 0.385 4.355 3.960 0.016 0.000 0.243 353 G HA3 0.385 4.355 3.960 0.016 0.000 0.243 353 G C -0.528 174.403 174.900 0.051 0.000 1.281 353 G CA -0.324 44.866 45.100 0.151 0.000 0.854 353 G HN 0.401 nan 8.290 nan 0.000 0.560 354 Q N 1.394 121.194 119.800 -0.001 0.000 2.290 354 Q HA 0.498 4.848 4.340 0.016 0.000 0.269 354 Q C 0.423 176.363 176.000 -0.099 0.000 1.016 354 Q CA -0.723 55.046 55.803 -0.057 0.000 0.754 354 Q CB 2.200 30.924 28.738 -0.025 0.000 1.247 354 Q HN 0.574 nan 8.270 nan 0.000 0.451 355 L N 0.518 121.621 121.223 -0.200 0.000 5.895 355 L HA -0.448 3.902 4.340 0.016 0.000 0.053 355 L C 0.812 177.566 176.870 -0.193 0.000 2.741 355 L CA 1.232 55.942 54.840 -0.217 0.000 1.500 355 L CB -1.052 40.944 42.059 -0.106 0.000 2.928 355 L HN 0.618 nan 8.230 nan 0.000 1.023 356 Q N 0.229 120.016 119.800 -0.021 0.000 2.322 356 Q HA 0.516 4.866 4.340 0.016 0.000 0.203 356 Q C -0.660 175.455 176.000 0.193 0.000 0.923 356 Q CA 0.521 56.402 55.803 0.131 0.000 0.949 356 Q CB 0.374 29.174 28.738 0.104 0.000 1.039 356 Q HN 0.301 nan 8.270 nan 0.000 0.496 357 L N -0.403 120.908 121.223 0.147 0.000 2.591 357 L HA 0.380 4.730 4.340 0.016 0.000 0.257 357 L C -1.746 175.181 176.870 0.094 0.000 0.935 357 L CA -0.437 54.483 54.840 0.133 0.000 0.873 357 L CB 1.918 43.999 42.059 0.038 0.000 1.397 357 L HN -0.106 nan 8.230 nan 0.000 0.414 358 N N 2.437 121.211 118.700 0.124 0.000 2.419 358 N HA 0.419 5.169 4.740 0.016 0.000 0.264 358 N C 0.326 175.751 175.510 -0.141 0.000 1.031 358 N CA 0.512 53.586 53.050 0.040 0.000 0.951 358 N CB 2.157 40.747 38.487 0.172 0.000 1.101 358 N HN 0.800 nan 8.380 nan 0.000 0.488 359 A N 3.520 126.045 122.820 -0.492 0.000 2.238 359 A HA 0.099 4.429 4.320 0.016 0.000 0.208 359 A C 0.169 177.342 177.584 -0.684 0.000 1.177 359 A CA 0.453 52.069 52.037 -0.703 0.000 0.804 359 A CB -0.270 18.163 19.000 -0.945 0.000 0.823 359 A HN 0.590 nan 8.150 nan 0.000 0.482 360 F N -0.190 119.756 119.950 -0.007 0.000 2.791 360 F HA 0.270 4.808 4.527 0.018 0.000 0.308 360 F C 1.332 177.103 175.800 -0.049 0.000 1.138 360 F CA -0.834 57.146 58.000 -0.034 0.000 1.294 360 F CB -0.118 38.875 39.000 -0.011 0.000 0.975 360 F HN 0.240 nan 8.300 nan 0.000 0.512 361 E N 0.927 121.166 120.200 0.065 0.000 2.153 361 E HA -0.151 4.209 4.350 0.016 0.000 0.194 361 E C -0.697 175.919 176.600 0.027 0.000 0.988 361 E CA 1.106 57.513 56.400 0.012 0.000 0.811 361 E CB -0.876 28.878 29.700 0.090 0.000 0.746 361 E HN 0.352 nan 8.360 nan 0.000 0.466 362 P HA -0.146 nan 4.420 nan 0.000 0.217 362 P C 1.569 178.829 177.300 -0.067 0.000 1.151 362 P CA 0.748 63.875 63.100 0.046 0.000 0.828 362 P CB 0.018 31.672 31.700 -0.076 0.000 0.788 363 L N -0.796 120.373 121.223 -0.090 0.000 2.046 363 L HA -0.129 4.221 4.340 0.016 0.000 0.208 363 L C 2.173 178.986 176.870 -0.094 0.000 1.077 363 L CA 1.737 56.485 54.840 -0.153 0.000 0.747 363 L CB -1.034 40.966 42.059 -0.098 0.000 0.896 363 L HN -0.152 nan 8.230 nan 0.000 0.432 364 I N -1.626 118.889 120.570 -0.093 0.000 2.099 364 I HA -0.306 3.874 4.170 0.016 0.000 0.239 364 I C 2.537 178.536 176.117 -0.195 0.000 1.066 364 I CA 1.678 62.885 61.300 -0.155 0.000 1.324 364 I CB -0.614 37.218 38.000 -0.280 0.000 1.037 364 I HN 0.189 nan 8.210 nan 0.000 0.401 365 V N 0.317 120.090 119.914 -0.235 0.000 2.332 365 V HA -0.344 3.786 4.120 0.016 0.000 0.248 365 V C 2.411 178.462 176.094 -0.071 0.000 1.055 365 V CA 2.026 64.203 62.300 -0.205 0.000 1.038 365 V CB -0.582 31.098 31.823 -0.239 0.000 0.651 365 V HN 0.467 nan 8.190 nan 0.000 0.450 366 Y N 1.594 121.790 120.300 -0.173 0.000 2.165 366 Y HA -0.226 4.335 4.550 0.019 0.000 0.286 366 Y C 2.427 178.262 175.900 -0.108 0.000 1.155 366 Y CA 2.271 60.277 58.100 -0.156 0.000 1.164 366 Y CB -0.524 37.777 38.460 -0.265 0.000 0.978 366 Y HN 0.403 nan 8.280 nan 0.000 0.513 367 N N 0.042 118.592 118.700 -0.250 0.000 2.216 367 N HA -0.113 4.637 4.740 0.016 0.000 0.183 367 N C 1.921 177.335 175.510 -0.159 0.000 1.017 367 N CA 1.672 54.557 53.050 -0.274 0.000 0.861 367 N CB -0.089 38.317 38.487 -0.135 0.000 0.986 367 N HN 0.414 nan 8.380 nan 0.000 0.428 368 I N 1.319 121.845 120.570 -0.074 0.000 2.202 368 I HA -0.200 3.979 4.170 0.016 0.000 0.242 368 I C 2.160 178.286 176.117 0.015 0.000 1.091 368 I CA 0.818 62.138 61.300 0.033 0.000 1.368 368 I CB -0.266 37.813 38.000 0.132 0.000 1.058 368 I HN 0.031 nan 8.210 nan 0.000 0.410 369 L N -0.045 121.152 121.223 -0.043 0.000 2.131 369 L HA -0.180 4.169 4.340 0.016 0.000 0.210 369 L C 2.668 179.505 176.870 -0.054 0.000 1.092 369 L CA 1.014 55.837 54.840 -0.029 0.000 0.759 369 L CB -0.498 41.546 42.059 -0.024 0.000 0.903 369 L HN 0.184 nan 8.230 nan 0.000 0.435 370 S N -0.836 114.772 115.700 -0.155 0.000 2.355 370 S HA -0.143 4.337 4.470 0.016 0.000 0.222 370 S C 2.231 176.773 174.600 -0.097 0.000 1.031 370 S CA 1.455 59.548 58.200 -0.180 0.000 0.993 370 S CB -0.004 62.959 63.200 -0.395 0.000 0.859 370 S HN 0.345 nan 8.310 nan 0.000 0.453 371 S N 1.438 117.090 115.700 -0.080 0.000 2.356 371 S HA -0.010 4.470 4.470 0.016 0.000 0.223 371 S C 1.932 176.522 174.600 -0.016 0.000 1.032 371 S CA 1.147 59.322 58.200 -0.042 0.000 1.005 371 S CB -0.330 62.853 63.200 -0.028 0.000 0.867 371 S HN 0.399 nan 8.310 nan 0.000 0.449 372 M N 0.656 120.266 119.600 0.018 0.000 2.080 372 M HA -0.165 4.325 4.480 0.016 0.000 0.260 372 M C 2.451 178.763 176.300 0.020 0.000 1.068 372 M CA 1.537 56.863 55.300 0.044 0.000 1.109 372 M CB -0.331 32.332 32.600 0.105 0.000 1.342 372 M HN 0.195 nan 8.290 nan 0.000 0.405 373 R N 0.673 121.178 120.500 0.009 0.000 2.070 373 R HA -0.122 4.228 4.340 0.016 0.000 0.233 373 R C 2.097 178.395 176.300 -0.003 0.000 1.137 373 R CA 1.465 57.569 56.100 0.006 0.000 0.945 373 R CB -0.400 29.904 30.300 0.008 0.000 0.845 373 R HN 0.327 nan 8.270 nan 0.000 0.430 374 L N 0.677 121.892 121.223 -0.013 0.000 2.021 374 L HA -0.274 4.076 4.340 0.016 0.000 0.215 374 L C 2.506 179.362 176.870 -0.023 0.000 1.074 374 L CA 1.459 56.289 54.840 -0.018 0.000 0.760 374 L CB -0.447 41.596 42.059 -0.025 0.000 0.889 374 L HN 0.337 nan 8.230 nan 0.000 0.433 375 L N -0.808 120.400 121.223 -0.026 0.000 2.141 375 L HA -0.132 4.218 4.340 0.016 0.000 0.209 375 L C 2.559 179.414 176.870 -0.025 0.000 1.094 375 L CA 1.165 55.985 54.840 -0.033 0.000 0.763 375 L CB -0.816 41.221 42.059 -0.036 0.000 0.908 375 L HN 0.331 nan 8.230 nan 0.000 0.437 376 G N -0.534 108.260 108.800 -0.011 0.000 2.402 376 G HA2 -0.212 3.758 3.960 0.016 0.000 0.216 376 G HA3 -0.212 3.758 3.960 0.016 0.000 0.216 376 G C 1.739 176.632 174.900 -0.011 0.000 1.162 376 G CA 0.263 45.360 45.100 -0.005 0.000 0.777 376 G HN 0.259 nan 8.290 nan 0.000 0.539 377 R N 0.255 120.748 120.500 -0.012 0.000 2.119 377 R HA 0.215 4.565 4.340 0.016 0.000 0.222 377 R C 2.976 179.262 176.300 -0.023 0.000 1.088 377 R CA 0.864 56.956 56.100 -0.014 0.000 0.984 377 R CB -0.199 30.097 30.300 -0.008 0.000 0.884 377 R HN 0.331 nan 8.270 nan 0.000 0.447 378 A N 1.099 123.900 122.820 -0.030 0.000 1.858 378 A HA -0.184 4.146 4.320 0.016 0.000 0.216 378 A C 2.154 179.711 177.584 -0.046 0.000 1.190 378 A CA 1.380 53.392 52.037 -0.041 0.000 0.617 378 A CB -0.436 18.531 19.000 -0.054 0.000 0.827 378 A HN 0.162 nan 8.150 nan 0.000 0.443 379 M N -0.756 118.817 119.600 -0.045 0.000 2.108 379 M HA -0.143 4.347 4.480 0.016 0.000 0.261 379 M C 2.275 178.540 176.300 -0.057 0.000 1.066 379 M CA 2.033 57.303 55.300 -0.051 0.000 1.107 379 M CB -0.922 31.653 32.600 -0.042 0.000 1.356 379 M HN 0.467 nan 8.290 nan 0.000 0.406 380 T N 0.647 115.177 114.554 -0.040 0.000 2.684 380 T HA -0.119 4.241 4.350 0.016 0.000 0.267 380 T C 1.559 176.234 174.700 -0.042 0.000 1.036 380 T CA 1.506 63.584 62.100 -0.037 0.000 1.148 380 T CB -0.435 68.421 68.868 -0.021 0.000 0.863 380 T HN 0.323 nan 8.240 nan 0.000 0.436 381 N N 1.096 119.775 118.700 -0.036 0.000 2.166 381 N HA -0.020 4.730 4.740 0.016 0.000 0.186 381 N C 1.665 177.149 175.510 -0.042 0.000 1.019 381 N CA 0.512 53.542 53.050 -0.033 0.000 0.856 381 N CB -0.597 37.875 38.487 -0.025 0.000 0.993 381 N HN 0.200 nan 8.380 nan 0.000 0.426 382 L N 0.842 122.031 121.223 -0.057 0.000 2.027 382 L HA 0.004 4.354 4.340 0.016 0.000 0.206 382 L C 2.024 178.832 176.870 -0.103 0.000 1.074 382 L CA 1.498 56.297 54.840 -0.068 0.000 0.745 382 L CB -0.996 41.019 42.059 -0.074 0.000 0.898 382 L HN 0.126 nan 8.230 nan 0.000 0.433 383 A N -0.073 122.666 122.820 -0.135 0.000 1.858 383 A HA -0.222 4.108 4.320 0.016 0.000 0.216 383 A C 2.138 179.661 177.584 -0.101 0.000 1.190 383 A CA 1.837 53.768 52.037 -0.175 0.000 0.617 383 A CB -0.709 18.192 19.000 -0.164 0.000 0.827 383 A HN 0.699 nan 8.150 nan 0.000 0.443 384 E N -1.048 119.113 120.200 -0.064 0.000 2.250 384 E HA -0.016 4.344 4.350 0.016 0.000 0.192 384 E C 1.626 178.214 176.600 -0.020 0.000 0.986 384 E CA 0.327 56.705 56.400 -0.038 0.000 0.849 384 E CB -0.133 29.550 29.700 -0.029 0.000 0.797 384 E HN 0.536 nan 8.360 nan 0.000 0.482 385 R N -0.314 120.175 120.500 -0.018 0.000 2.334 385 R HA 0.228 4.578 4.340 0.016 0.000 0.216 385 R C 1.264 177.569 176.300 0.008 0.000 0.905 385 R CA 0.352 56.450 56.100 -0.003 0.000 1.064 385 R CB 0.535 30.833 30.300 -0.004 0.000 1.046 385 R HN 0.257 nan 8.270 nan 0.000 0.508 386 C N -1.637 117.667 119.300 0.006 0.000 3.024 386 C HA 0.142 4.612 4.460 0.016 0.000 0.344 386 C C 2.313 177.340 174.990 0.062 0.000 2.031 386 C CA -0.091 58.948 59.018 0.036 0.000 1.998 386 C CB -0.101 27.658 27.740 0.033 0.000 1.929 386 C HN 0.113 nan 8.230 nan 0.000 0.660 387 V N 2.210 122.141 119.914 0.027 0.000 2.295 387 V HA -0.159 3.971 4.120 0.016 0.000 0.246 387 V C 2.076 178.217 176.094 0.078 0.000 1.049 387 V CA 2.769 65.110 62.300 0.069 0.000 1.024 387 V CB -0.794 30.930 31.823 -0.165 0.000 0.648 387 V HN 0.552 nan 8.190 nan 0.000 0.447 388 D N 0.727 121.131 120.400 0.007 0.000 2.190 388 D HA -0.130 4.520 4.640 0.016 0.000 0.200 388 D C 1.977 178.298 176.300 0.035 0.000 0.992 388 D CA 1.727 55.730 54.000 0.005 0.000 0.854 388 D CB -0.326 40.465 40.800 -0.014 0.000 0.936 388 D HN 0.526 nan 8.370 nan 0.000 0.462 389 G N -0.756 108.080 108.800 0.060 0.000 3.126 389 G HA2 0.168 4.138 3.960 0.016 0.000 0.224 389 G HA3 0.168 4.138 3.960 0.016 0.000 0.224 389 G C 0.631 175.601 174.900 0.115 0.000 1.142 389 G CA -0.360 44.782 45.100 0.071 0.000 0.759 389 G HN 0.158 nan 8.290 nan 0.000 0.550 390 I N 1.232 121.908 120.570 0.176 0.000 2.710 390 I HA 0.078 4.258 4.170 0.016 0.000 0.286 390 I C 0.166 176.450 176.117 0.279 0.000 1.181 390 I CA 0.532 61.980 61.300 0.245 0.000 1.430 390 I CB 0.801 39.037 38.000 0.393 0.000 1.367 390 I HN 0.100 nan 8.210 nan 0.000 0.577 391 E N 4.305 124.618 120.200 0.187 0.000 2.227 391 E HA 0.619 4.979 4.350 0.016 0.000 0.268 391 E C -0.799 175.756 176.600 -0.074 0.000 0.907 391 E CA -0.975 55.508 56.400 0.138 0.000 0.786 391 E CB 1.931 31.680 29.700 0.081 0.000 1.191 391 E HN 0.677 nan 8.360 nan 0.000 0.411 392 A N 2.921 125.560 122.820 -0.301 0.000 2.331 392 A HA 0.188 4.518 4.320 0.016 0.000 0.283 392 A C -0.049 177.402 177.584 -0.222 0.000 1.142 392 A CA -0.467 51.262 52.037 -0.512 0.000 0.812 392 A CB 0.325 18.785 19.000 -0.899 0.000 1.074 392 A HN 0.564 nan 8.150 nan 0.000 0.497 393 N N 3.239 121.835 118.700 -0.174 0.000 2.602 393 N HA 0.146 4.896 4.740 0.016 0.000 0.238 393 N C 0.968 176.414 175.510 -0.107 0.000 1.084 393 N CA -0.092 52.898 53.050 -0.100 0.000 0.952 393 N CB 0.942 39.390 38.487 -0.065 0.000 1.244 393 N HN 0.326 nan 8.380 nan 0.000 0.512 394 V N 3.381 123.238 119.914 -0.095 0.000 2.295 394 V HA -0.235 3.895 4.120 0.016 0.000 0.246 394 V C 2.724 178.784 176.094 -0.056 0.000 1.049 394 V CA 2.694 64.944 62.300 -0.084 0.000 1.024 394 V CB -0.865 30.923 31.823 -0.058 0.000 0.648 394 V HN 0.764 nan 8.190 nan 0.000 0.447 395 E N 0.073 120.249 120.200 -0.041 0.000 2.110 395 E HA -0.269 4.091 4.350 0.016 0.000 0.193 395 E C 2.273 178.856 176.600 -0.028 0.000 0.988 395 E CA 1.650 58.032 56.400 -0.029 0.000 0.804 395 E CB -0.574 29.113 29.700 -0.021 0.000 0.745 395 E HN 0.600 nan 8.360 nan 0.000 0.458 396 R N -0.788 119.692 120.500 -0.033 0.000 2.115 396 R HA -0.029 4.321 4.340 0.016 0.000 0.226 396 R C 2.461 178.742 176.300 -0.031 0.000 1.100 396 R CA 1.104 57.188 56.100 -0.028 0.000 0.980 396 R CB -0.698 29.587 30.300 -0.025 0.000 0.875 396 R HN 0.548 nan 8.270 nan 0.000 0.445 397 C N 0.043 119.315 119.300 -0.046 0.000 2.413 397 C HA -0.112 4.358 4.460 0.016 0.000 0.276 397 C C 3.257 178.229 174.990 -0.029 0.000 1.236 397 C CA 1.557 60.548 59.018 -0.045 0.000 1.735 397 C CB -1.263 26.433 27.740 -0.073 0.000 2.031 397 C HN 0.657 nan 8.230 nan 0.000 0.474 398 R N 0.581 121.064 120.500 -0.029 0.000 2.091 398 R HA 0.004 4.354 4.340 0.016 0.000 0.238 398 R C 2.275 178.567 176.300 -0.014 0.000 1.136 398 R CA 2.198 58.288 56.100 -0.018 0.000 0.959 398 R CB -1.542 28.747 30.300 -0.018 0.000 0.856 398 R HN 0.668 nan 8.270 nan 0.000 0.437 399 A N 0.543 123.354 122.820 -0.015 0.000 1.940 399 A HA 0.059 4.389 4.320 0.016 0.000 0.219 399 A C 2.823 180.401 177.584 -0.009 0.000 1.176 399 A CA 1.855 53.885 52.037 -0.011 0.000 0.631 399 A CB -1.132 17.861 19.000 -0.012 0.000 0.814 399 A HN 0.710 nan 8.150 nan 0.000 0.446 400 G N -0.821 107.973 108.800 -0.010 0.000 2.394 400 G HA2 0.076 4.046 3.960 0.016 0.000 0.214 400 G HA3 0.076 4.046 3.960 0.016 0.000 0.214 400 G C 1.767 176.664 174.900 -0.005 0.000 1.176 400 G CA 1.313 46.409 45.100 -0.007 0.000 0.786 400 G HN 0.784 nan 8.290 nan 0.000 0.533 401 A N 0.939 123.756 122.820 -0.005 0.000 1.883 401 A HA -0.051 4.279 4.320 0.016 0.000 0.217 401 A C 2.139 179.722 177.584 -0.002 0.000 1.186 401 A CA 2.016 54.053 52.037 -0.001 0.000 0.624 401 A CB -0.470 18.531 19.000 0.002 0.000 0.822 401 A HN 0.425 nan 8.150 nan 0.000 0.444 402 E N -0.650 119.547 120.200 -0.004 0.000 2.204 402 E HA -0.155 4.205 4.350 0.016 0.000 0.194 402 E C 1.662 178.258 176.600 -0.006 0.000 0.989 402 E CA 1.115 57.512 56.400 -0.005 0.000 0.824 402 E CB -0.054 29.642 29.700 -0.006 0.000 0.756 402 E HN 0.728 nan 8.360 nan 0.000 0.477 403 E N 0.291 120.487 120.200 -0.006 0.000 2.502 403 E HA 0.029 4.389 4.350 0.016 0.000 0.194 403 E C 0.123 176.718 176.600 -0.007 0.000 1.062 403 E CA -0.214 56.182 56.400 -0.007 0.000 0.867 403 E CB 0.468 30.164 29.700 -0.006 0.000 0.888 403 E HN -0.085 nan 8.360 nan 0.000 0.510 404 S N 0.332 116.029 115.700 -0.006 0.000 2.537 404 S HA 0.006 4.486 4.470 0.016 0.000 0.286 404 S C 1.070 175.665 174.600 -0.009 0.000 1.299 404 S CA -0.398 57.799 58.200 -0.006 0.000 1.067 404 S CB 0.388 63.586 63.200 -0.004 0.000 0.864 404 S HN 0.100 nan 8.310 nan 0.000 0.494 405 I N 4.910 125.473 120.570 -0.010 0.000 2.676 405 I HA -0.100 4.080 4.170 0.016 0.000 0.259 405 I C 2.496 178.603 176.117 -0.018 0.000 1.194 405 I CA 1.324 62.615 61.300 -0.016 0.000 1.473 405 I CB -0.456 37.535 38.000 -0.016 0.000 1.096 405 I HN 0.857 nan 8.210 nan 0.000 0.443 406 S N 0.321 116.014 115.700 -0.012 0.000 2.399 406 S HA -0.164 4.316 4.470 0.016 0.000 0.231 406 S C 2.009 176.602 174.600 -0.011 0.000 1.022 406 S CA 0.867 59.061 58.200 -0.009 0.000 0.983 406 S CB -0.935 62.263 63.200 -0.003 0.000 0.803 406 S HN 0.466 nan 8.310 nan 0.000 0.480 407 L N 1.339 122.555 121.223 -0.011 0.000 2.189 407 L HA -0.135 4.215 4.340 0.016 0.000 0.214 407 L C 3.118 179.977 176.870 -0.019 0.000 1.097 407 L CA 1.135 55.968 54.840 -0.011 0.000 0.764 407 L CB -1.045 41.009 42.059 -0.009 0.000 0.900 407 L HN 0.501 nan 8.230 nan 0.000 0.436 408 A N -0.256 122.547 122.820 -0.029 0.000 2.076 408 A HA -0.190 4.140 4.320 0.016 0.000 0.220 408 A C 2.329 179.882 177.584 -0.053 0.000 1.160 408 A CA 2.145 54.154 52.037 -0.046 0.000 0.653 408 A CB -0.751 18.211 19.000 -0.063 0.000 0.801 408 A HN 0.416 nan 8.150 nan 0.000 0.455 409 T N 0.337 114.868 114.554 -0.037 0.000 2.788 409 T HA -0.036 4.324 4.350 0.016 0.000 0.268 409 T C 2.079 176.772 174.700 -0.012 0.000 1.044 409 T CA 1.338 63.424 62.100 -0.025 0.000 1.139 409 T CB -0.369 68.498 68.868 -0.001 0.000 0.867 409 T HN 0.620 nan 8.240 nan 0.000 0.454 410 A N 0.902 123.717 122.820 -0.009 0.000 2.178 410 A HA 0.104 4.434 4.320 0.016 0.000 0.218 410 A C 2.059 179.639 177.584 -0.006 0.000 1.157 410 A CA 0.848 52.883 52.037 -0.002 0.000 0.689 410 A CB -0.713 18.287 19.000 -0.000 0.000 0.787 410 A HN 0.527 nan 8.150 nan 0.000 0.465 411 L N -1.230 119.983 121.223 -0.018 0.000 2.529 411 L HA -0.006 4.344 4.340 0.016 0.000 0.223 411 L C 2.141 179.001 176.870 -0.016 0.000 1.113 411 L CA -0.004 54.824 54.840 -0.020 0.000 0.861 411 L CB -0.237 41.803 42.059 -0.032 0.000 1.012 411 L HN 0.175 nan 8.230 nan 0.000 0.461 412 V N 1.385 121.292 119.914 -0.012 0.000 2.282 412 V HA -0.182 3.947 4.120 0.016 0.000 0.249 412 V C -0.161 175.950 176.094 0.029 0.000 1.057 412 V CA 2.170 64.478 62.300 0.014 0.000 1.032 412 V CB -1.484 30.372 31.823 0.053 0.000 0.645 412 V HN 0.410 nan 8.190 nan 0.000 0.447 413 P HA 0.013 nan 4.420 nan 0.000 0.242 413 P C 1.316 178.625 177.300 0.015 0.000 1.197 413 P CA 0.943 64.057 63.100 0.023 0.000 0.765 413 P CB 0.200 31.912 31.700 0.020 0.000 0.936 414 V N -0.531 119.389 119.914 0.010 0.000 3.048 414 V HA -0.008 4.122 4.120 0.016 0.000 0.241 414 V C 2.193 178.289 176.094 0.005 0.000 1.129 414 V CA 1.255 63.559 62.300 0.005 0.000 1.128 414 V CB 0.173 31.997 31.823 0.001 0.000 0.849 414 V HN 0.025 nan 8.190 nan 0.000 0.475 415 V N -2.529 117.387 119.914 0.003 0.000 3.432 415 V HA 0.817 4.947 4.120 0.016 0.000 0.298 415 V C 0.677 176.778 176.094 0.011 0.000 1.464 415 V CA 0.059 62.361 62.300 0.002 0.000 1.046 415 V CB -0.240 31.578 31.823 -0.008 0.000 0.887 415 V HN 0.824 nan 8.190 nan 0.000 0.441 416 G N 0.011 108.825 108.800 0.023 0.000 2.692 416 G HA2 -0.274 3.696 3.960 0.016 0.000 0.686 416 G HA3 -0.274 3.696 3.960 0.016 0.000 0.686 416 G C -0.295 174.644 174.900 0.066 0.000 1.243 416 G CA 0.108 45.240 45.100 0.053 0.000 0.782 416 G HN 0.609 nan 8.290 nan 0.000 0.625 417 Y N 1.531 121.831 120.300 0.001 0.000 2.114 417 Y HA -0.034 4.525 4.550 0.016 0.000 0.282 417 Y C 3.012 178.912 175.900 0.000 0.000 1.165 417 Y CA 3.590 61.690 58.100 0.000 0.000 1.148 417 Y CB -0.376 38.084 38.460 0.000 0.000 0.972 417 Y HN 1.120 nan 8.280 nan 0.000 0.504 418 A N 0.165 123.098 122.820 0.189 0.000 1.940 418 A HA -0.228 4.101 4.320 0.016 0.000 0.219 418 A C 2.323 179.900 177.584 -0.011 0.000 1.176 418 A CA 2.012 54.118 52.037 0.116 0.000 0.631 418 A CB -0.666 18.401 19.000 0.111 0.000 0.814 418 A HN 0.561 nan 8.150 nan 0.000 0.446 419 R N -1.348 119.138 120.500 -0.023 0.000 2.173 419 R HA 0.168 4.518 4.340 0.016 0.000 0.208 419 R C 2.255 178.510 176.300 -0.076 0.000 1.035 419 R CA 0.817 56.895 56.100 -0.036 0.000 1.004 419 R CB -0.143 30.148 30.300 -0.015 0.000 0.917 419 R HN 0.486 nan 8.270 nan 0.000 0.462 420 A N 0.453 123.198 122.820 -0.124 0.000 1.930 420 A HA 0.020 4.350 4.320 0.016 0.000 0.215 420 A C 2.190 179.649 177.584 -0.208 0.000 1.176 420 A CA 1.277 53.222 52.037 -0.154 0.000 0.632 420 A CB -0.352 18.547 19.000 -0.168 0.000 0.819 420 A HN 0.385 nan 8.150 nan 0.000 0.445 421 A N -0.275 122.355 122.820 -0.317 0.000 1.933 421 A HA -0.122 4.208 4.320 0.016 0.000 0.218 421 A C 1.935 179.441 177.584 -0.130 0.000 1.175 421 A CA 2.035 53.902 52.037 -0.283 0.000 0.628 421 A CB -0.414 18.373 19.000 -0.355 0.000 0.814 421 A HN 0.451 nan 8.150 nan 0.000 0.444 422 E N 0.184 120.329 120.200 -0.093 0.000 2.051 422 E HA -0.139 4.221 4.350 0.016 0.000 0.192 422 E C 1.719 178.291 176.600 -0.047 0.000 0.991 422 E CA 1.329 57.699 56.400 -0.050 0.000 0.799 422 E CB -0.378 29.302 29.700 -0.033 0.000 0.748 422 E HN 0.643 nan 8.360 nan 0.000 0.449 423 I N 0.176 120.713 120.570 -0.055 0.000 2.208 423 I HA -0.320 3.860 4.170 0.016 0.000 0.245 423 I C 2.284 178.374 176.117 -0.046 0.000 1.097 423 I CA 1.156 62.429 61.300 -0.045 0.000 1.363 423 I CB -0.363 37.609 38.000 -0.047 0.000 1.051 423 I HN 0.146 nan 8.210 nan 0.000 0.413 424 A N 0.652 123.434 122.820 -0.063 0.000 1.851 424 A HA -0.312 4.018 4.320 0.016 0.000 0.216 424 A C 2.367 179.928 177.584 -0.039 0.000 1.195 424 A CA 2.266 54.270 52.037 -0.056 0.000 0.622 424 A CB -0.688 18.265 19.000 -0.078 0.000 0.831 424 A HN 0.348 nan 8.150 nan 0.000 0.444 425 K N -0.774 119.602 120.400 -0.039 0.000 2.044 425 K HA -0.255 4.074 4.320 0.016 0.000 0.210 425 K C 2.340 178.928 176.600 -0.019 0.000 1.049 425 K CA 2.009 58.281 56.287 -0.024 0.000 0.927 425 K CB -0.224 32.264 32.500 -0.021 0.000 0.713 425 K HN 0.633 nan 8.250 nan 0.000 0.443 426 Q N -0.527 119.260 119.800 -0.021 0.000 2.050 426 Q HA -0.124 4.226 4.340 0.016 0.000 0.202 426 Q C 2.094 178.085 176.000 -0.015 0.000 0.980 426 Q CA 1.559 57.352 55.803 -0.016 0.000 0.840 426 Q CB -0.165 28.563 28.738 -0.017 0.000 0.898 426 Q HN 0.459 nan 8.270 nan 0.000 0.424 427 A N 0.562 123.371 122.820 -0.018 0.000 1.948 427 A HA -0.213 4.117 4.320 0.016 0.000 0.220 427 A C 1.993 179.569 177.584 -0.013 0.000 1.177 427 A CA 1.423 53.450 52.037 -0.016 0.000 0.636 427 A CB -0.590 18.399 19.000 -0.019 0.000 0.815 427 A HN 0.402 nan 8.150 nan 0.000 0.449 428 L N -0.888 120.327 121.223 -0.013 0.000 2.095 428 L HA 0.132 4.482 4.340 0.016 0.000 0.204 428 L C 2.667 179.533 176.870 -0.007 0.000 1.080 428 L CA 1.860 56.694 54.840 -0.010 0.000 0.759 428 L CB -0.606 41.447 42.059 -0.010 0.000 0.914 428 L HN 0.302 nan 8.230 nan 0.000 0.439 429 A N -0.561 122.254 122.820 -0.008 0.000 1.883 429 A HA -0.248 4.082 4.320 0.016 0.000 0.217 429 A C 2.482 180.063 177.584 -0.005 0.000 1.186 429 A CA 2.351 54.384 52.037 -0.006 0.000 0.624 429 A CB -1.167 17.830 19.000 -0.006 0.000 0.822 429 A HN 0.641 nan 8.150 nan 0.000 0.444 430 S N -2.320 113.377 115.700 -0.006 0.000 2.478 430 S HA 0.357 4.837 4.470 0.016 0.000 0.222 430 S C 1.524 176.120 174.600 -0.006 0.000 1.008 430 S CA 1.233 59.429 58.200 -0.006 0.000 0.928 430 S CB -0.179 63.017 63.200 -0.007 0.000 0.781 430 S HN 2.043 nan 8.310 nan 0.000 0.518 431 G N 0.691 109.488 108.800 -0.006 0.000 2.159 431 G HA2 -0.240 3.730 3.960 0.016 0.000 0.256 431 G HA3 -0.240 3.730 3.960 0.016 0.000 0.256 431 G C -0.160 174.736 174.900 -0.006 0.000 0.977 431 G CA 0.267 45.363 45.100 -0.006 0.000 0.652 431 G HN 0.650 nan 8.290 nan 0.000 0.531 432 Q N 0.616 120.412 119.800 -0.007 0.000 2.256 432 Q HA 0.570 4.920 4.340 0.016 0.000 0.232 432 Q C 1.047 177.042 176.000 -0.009 0.000 0.965 432 Q CA 0.034 55.832 55.803 -0.008 0.000 0.908 432 Q CB 0.697 29.430 28.738 -0.008 0.000 1.209 432 Q HN 0.493 nan 8.270 nan 0.000 0.489 433 T N -2.573 111.975 114.554 -0.009 0.000 2.860 433 T HA 0.069 4.429 4.350 0.016 0.000 0.299 433 T C 1.302 175.994 174.700 -0.013 0.000 1.045 433 T CA -0.750 61.344 62.100 -0.010 0.000 1.071 433 T CB 0.523 69.385 68.868 -0.009 0.000 0.985 433 T HN 0.342 nan 8.240 nan 0.000 0.537 434 V N 1.846 121.751 119.914 -0.015 0.000 2.380 434 V HA -0.227 3.902 4.120 0.016 0.000 0.251 434 V C 2.630 178.714 176.094 -0.016 0.000 1.063 434 V CA 2.540 64.829 62.300 -0.018 0.000 1.055 434 V CB -1.140 30.671 31.823 -0.020 0.000 0.657 434 V HN 0.978 nan 8.190 nan 0.000 0.455 435 M N 0.577 120.170 119.600 -0.013 0.000 2.065 435 M HA -0.218 4.272 4.480 0.016 0.000 0.259 435 M C 2.019 178.312 176.300 -0.011 0.000 1.069 435 M CA 2.113 57.406 55.300 -0.011 0.000 1.110 435 M CB -0.580 32.015 32.600 -0.009 0.000 1.328 435 M HN 0.328 nan 8.290 nan 0.000 0.405 436 E N -0.821 119.373 120.200 -0.010 0.000 2.085 436 E HA -0.191 4.169 4.350 0.016 0.000 0.194 436 E C 1.910 178.504 176.600 -0.010 0.000 0.994 436 E CA 1.830 58.225 56.400 -0.009 0.000 0.801 436 E CB -0.274 29.421 29.700 -0.008 0.000 0.743 436 E HN 0.437 nan 8.360 nan 0.000 0.453 437 V N 0.786 120.692 119.914 -0.012 0.000 2.548 437 V HA -0.199 3.931 4.120 0.016 0.000 0.249 437 V C 2.179 178.264 176.094 -0.014 0.000 1.055 437 V CA 1.558 63.849 62.300 -0.014 0.000 1.065 437 V CB -0.507 31.306 31.823 -0.017 0.000 0.681 437 V HN 0.323 nan 8.190 nan 0.000 0.462 438 A N 0.057 122.868 122.820 -0.015 0.000 1.933 438 A HA -0.158 4.172 4.320 0.016 0.000 0.218 438 A C 2.179 179.756 177.584 -0.011 0.000 1.175 438 A CA 1.695 53.723 52.037 -0.015 0.000 0.628 438 A CB -0.510 18.481 19.000 -0.015 0.000 0.814 438 A HN 0.490 nan 8.150 nan 0.000 0.444 439 I N 0.275 120.839 120.570 -0.010 0.000 2.208 439 I HA -0.253 3.927 4.170 0.016 0.000 0.245 439 I C 2.425 178.537 176.117 -0.007 0.000 1.097 439 I CA 1.592 62.887 61.300 -0.008 0.000 1.363 439 I CB -0.207 37.788 38.000 -0.007 0.000 1.051 439 I HN 0.244 nan 8.210 nan 0.000 0.413 440 S N 0.431 116.127 115.700 -0.008 0.000 2.469 440 S HA -0.087 4.393 4.470 0.016 0.000 0.238 440 S C 1.489 176.085 174.600 -0.007 0.000 0.998 440 S CA 0.912 59.108 58.200 -0.007 0.000 0.957 440 S CB -0.129 63.067 63.200 -0.008 0.000 0.764 440 S HN 0.327 nan 8.310 nan 0.000 0.514 441 K N 0.642 121.037 120.400 -0.008 0.000 2.417 441 K HA 0.294 4.624 4.320 0.016 0.000 0.196 441 K C 1.235 177.831 176.600 -0.006 0.000 1.023 441 K CA 0.469 56.752 56.287 -0.008 0.000 1.122 441 K CB -0.249 32.244 32.500 -0.010 0.000 0.850 441 K HN 0.402 nan 8.250 nan 0.000 0.521 442 G N 1.476 110.273 108.800 -0.006 0.000 2.143 442 G HA2 -0.271 3.699 3.960 0.016 0.000 0.249 442 G HA3 -0.271 3.699 3.960 0.016 0.000 0.249 442 G C 0.003 174.900 174.900 -0.005 0.000 0.981 442 G CA -0.100 44.997 45.100 -0.005 0.000 0.665 442 G HN 0.268 nan 8.290 nan 0.000 0.528 443 L N 0.780 121.999 121.223 -0.006 0.000 2.426 443 L HA 0.409 4.759 4.340 0.016 0.000 0.271 443 L C 0.787 177.653 176.870 -0.005 0.000 1.169 443 L CA -0.327 54.509 54.840 -0.006 0.000 0.836 443 L CB 0.732 42.786 42.059 -0.008 0.000 1.112 443 L HN 0.325 nan 8.230 nan 0.000 0.465 444 D N 1.539 121.936 120.400 -0.005 0.000 2.351 444 D HA 0.251 4.901 4.640 0.016 0.000 0.251 444 D C 0.780 177.077 176.300 -0.005 0.000 1.137 444 D CA 0.201 54.199 54.000 -0.004 0.000 0.879 444 D CB 1.696 42.494 40.800 -0.004 0.000 1.181 444 D HN 0.559 nan 8.370 nan 0.000 0.448 445 A N 2.966 125.783 122.820 -0.005 0.000 1.902 445 A HA -0.155 4.175 4.320 0.016 0.000 0.217 445 A C 2.131 179.712 177.584 -0.005 0.000 1.181 445 A CA 1.889 53.923 52.037 -0.005 0.000 0.623 445 A CB -0.906 18.091 19.000 -0.005 0.000 0.818 445 A HN 0.666 nan 8.150 nan 0.000 0.443 446 S N -0.241 115.456 115.700 -0.005 0.000 2.453 446 S HA 0.194 4.674 4.470 0.016 0.000 0.231 446 S C 1.954 176.551 174.600 -0.005 0.000 1.005 446 S CA 1.071 59.269 58.200 -0.005 0.000 0.949 446 S CB -0.397 62.800 63.200 -0.005 0.000 0.774 446 S HN 0.799 nan 8.310 nan 0.000 0.510 447 A N 2.117 124.935 122.820 -0.004 0.000 1.897 447 A HA 0.245 4.575 4.320 0.016 0.000 0.215 447 A C 2.250 179.832 177.584 -0.004 0.000 1.181 447 A CA 1.148 53.183 52.037 -0.004 0.000 0.620 447 A CB -0.774 18.224 19.000 -0.003 0.000 0.821 447 A HN 0.529 nan 8.150 nan 0.000 0.443 448 L N -0.592 120.628 121.223 -0.005 0.000 2.141 448 L HA -0.127 4.223 4.340 0.016 0.000 0.209 448 L C 2.661 179.528 176.870 -0.005 0.000 1.094 448 L CA 1.476 56.313 54.840 -0.005 0.000 0.763 448 L CB -0.845 41.210 42.059 -0.007 0.000 0.908 448 L HN 0.318 nan 8.230 nan 0.000 0.437 449 T N 0.407 114.958 114.554 -0.005 0.000 2.737 449 T HA -0.200 4.160 4.350 0.016 0.000 0.269 449 T C 1.845 176.543 174.700 -0.004 0.000 1.040 449 T CA 1.574 63.671 62.100 -0.005 0.000 1.142 449 T CB -0.196 68.668 68.868 -0.006 0.000 0.861 449 T HN 0.232 nan 8.240 nan 0.000 0.456 450 I N 0.141 120.708 120.570 -0.004 0.000 2.206 450 I HA -0.097 4.083 4.170 0.016 0.000 0.239 450 I C 2.537 178.654 176.117 -0.000 0.000 1.078 450 I CA 1.146 62.445 61.300 -0.002 0.000 1.367 450 I CB -0.370 37.629 38.000 -0.002 0.000 1.078 450 I HN 0.182 nan 8.210 nan 0.000 0.413 451 M N 0.415 120.015 119.600 -0.001 0.000 2.073 451 M HA -0.212 4.278 4.480 0.016 0.000 0.258 451 M C 1.619 177.920 176.300 0.001 0.000 1.070 451 M CA 1.944 57.244 55.300 0.000 0.000 1.103 451 M CB -0.308 32.290 32.600 -0.002 0.000 1.321 451 M HN 0.189 nan 8.290 nan 0.000 0.405 452 L N -0.272 120.950 121.223 -0.001 0.000 2.728 452 L HA 0.136 4.486 4.340 0.016 0.000 0.235 452 L C 0.037 176.909 176.870 0.003 0.000 1.197 452 L CA -0.592 54.248 54.840 -0.001 0.000 0.992 452 L CB -0.764 41.292 42.059 -0.005 0.000 1.263 452 L HN 0.082 nan 8.230 nan 0.000 0.484 453 D N 1.597 122.000 120.400 0.005 0.000 2.346 453 D HA 0.075 4.724 4.640 0.016 0.000 0.260 453 D C -1.529 174.782 176.300 0.018 0.000 1.252 453 D CA -1.793 52.211 54.000 0.008 0.000 0.895 453 D CB 1.488 42.291 40.800 0.005 0.000 1.097 453 D HN -0.048 nan 8.370 nan 0.000 0.489 454 P HA -0.070 nan 4.420 nan 0.000 0.220 454 P C 1.472 178.807 177.300 0.058 0.000 1.152 454 P CA 0.042 63.160 63.100 0.031 0.000 0.812 454 P CB 0.253 31.966 31.700 0.022 0.000 0.792 455 L N -0.153 121.104 121.223 0.058 0.000 2.131 455 L HA -0.067 4.283 4.340 0.016 0.000 0.210 455 L C 2.461 179.407 176.870 0.127 0.000 1.092 455 L CA 1.701 56.597 54.840 0.094 0.000 0.759 455 L CB -0.952 41.117 42.059 0.017 0.000 0.903 455 L HN -0.193 nan 8.230 nan 0.000 0.435 456 R N -1.410 119.134 120.500 0.074 0.000 2.115 456 R HA -0.097 4.253 4.340 0.016 0.000 0.230 456 R C 2.089 178.440 176.300 0.086 0.000 1.111 456 R CA 1.283 57.426 56.100 0.072 0.000 0.976 456 R CB -0.034 30.288 30.300 0.037 0.000 0.870 456 R HN 0.360 nan 8.270 nan 0.000 0.445 457 M N -1.094 118.551 119.600 0.074 0.000 2.287 457 M HA 0.077 4.567 4.480 0.016 0.000 0.266 457 M C 2.321 178.652 176.300 0.051 0.000 1.079 457 M CA 1.240 56.571 55.300 0.052 0.000 1.146 457 M CB -0.065 32.555 32.600 0.033 0.000 1.374 457 M HN 0.203 nan 8.290 nan 0.000 0.435 458 A N 0.419 123.292 122.820 0.089 0.000 1.929 458 A HA 0.025 4.355 4.320 0.016 0.000 0.216 458 A C 0.674 178.225 177.584 -0.056 0.000 1.176 458 A CA 0.856 52.917 52.037 0.040 0.000 0.628 458 A CB -0.429 18.648 19.000 0.128 0.000 0.816 458 A HN 0.381 nan 8.150 nan 0.000 0.444 459 F N 1.822 121.769 119.950 -0.004 0.000 2.313 459 F HA 0.342 4.880 4.527 0.018 0.000 0.369 459 F C -1.946 173.853 175.800 -0.002 0.000 1.109 459 F CA -2.364 55.634 58.000 -0.003 0.000 1.132 459 F CB 1.058 40.057 39.000 -0.002 0.000 1.291 459 F HN 0.104 nan 8.300 nan 0.000 0.496 460 P HA 0.163 nan 4.420 nan 0.000 0.272 460 P C -1.934 175.414 177.300 0.080 0.000 1.223 460 P CA -0.810 62.324 63.100 0.055 0.000 0.784 460 P CB -0.102 31.601 31.700 0.005 0.000 0.923 461 P HA 0.000 nan 4.420 nan 0.000 0.216 461 P CA 0.000 63.131 63.100 0.052 0.000 0.800 461 P CB 0.000 31.720 31.700 0.032 0.000 0.726