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_A 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 0.000 176.265 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 T N -0.529 113.989 114.554 -0.059 0.000 2.888 2 T HA 1.000 5.389 4.350 0.065 0.000 0.288 2 T C -0.174 174.480 174.700 -0.076 0.000 1.063 2 T CA -0.337 61.723 62.100 -0.068 0.000 1.010 2 T CB 1.854 70.692 68.868 -0.050 0.000 1.214 2 T HN 1.861 nan 8.240 nan 0.000 0.533 3 R N -0.100 120.348 120.500 -0.087 0.000 2.892 3 R HA 0.799 5.177 4.340 0.065 0.000 0.265 3 R C -1.008 175.251 176.300 -0.069 0.000 1.025 3 R CA -1.235 54.812 56.100 -0.088 0.000 0.982 3 R CB 1.523 31.750 30.300 -0.120 0.000 1.185 3 R HN 0.622 nan 8.270 nan 0.000 0.484 4 R N 0.890 121.353 120.500 -0.063 0.000 2.343 4 R HA 0.300 4.678 4.340 0.065 0.000 0.320 4 R C -1.067 175.212 176.300 -0.035 0.000 0.956 4 R CA -0.169 55.907 56.100 -0.040 0.000 0.836 4 R CB 1.446 31.724 30.300 -0.035 0.000 1.151 4 R HN 0.757 nan 8.270 nan 0.000 0.450 5 E N 2.027 122.223 120.200 -0.008 0.000 2.378 5 E HA 0.326 4.715 4.350 0.065 0.000 0.265 5 E C -1.307 175.315 176.600 0.037 0.000 0.932 5 E CA -1.051 55.364 56.400 0.026 0.000 0.795 5 E CB 2.548 32.288 29.700 0.066 0.000 1.296 5 E HN 0.413 nan 8.360 nan 0.000 0.438 6 Q N 1.540 121.377 119.800 0.061 0.000 2.284 6 Q HA 0.214 4.593 4.340 0.065 0.000 0.269 6 Q C -1.938 174.097 176.000 0.057 0.000 1.026 6 Q CA -0.551 55.282 55.803 0.049 0.000 0.831 6 Q CB 1.554 30.318 28.738 0.043 0.000 1.322 6 Q HN 0.568 nan 8.270 nan 0.000 0.419 7 D N 0.010 120.435 120.400 0.041 0.000 2.687 7 D HA 0.178 4.856 4.640 0.065 0.000 0.264 7 D C 0.348 176.666 176.300 0.030 0.000 1.091 7 D CA -0.424 53.598 54.000 0.038 0.000 1.123 7 D CB 0.566 41.383 40.800 0.029 0.000 1.407 7 D HN 0.351 nan 8.370 nan 0.000 0.591 8 S N -1.204 114.512 115.700 0.027 0.000 2.805 8 S HA 0.031 4.540 4.470 0.065 0.000 0.230 8 S C 0.842 175.450 174.600 0.014 0.000 0.968 8 S CA 0.111 58.324 58.200 0.021 0.000 0.976 8 S CB -0.958 62.254 63.200 0.019 0.000 0.787 8 S HN 0.482 nan 8.310 nan 0.000 0.533 9 L N -0.145 121.085 121.223 0.012 0.000 3.086 9 L HA 0.506 4.884 4.340 0.065 0.000 0.274 9 L C 1.091 177.965 176.870 0.005 0.000 1.184 9 L CA 0.074 54.918 54.840 0.005 0.000 1.002 9 L CB 0.517 42.576 42.059 -0.000 0.000 1.383 9 L HN 0.580 nan 8.230 nan 0.000 0.582 10 G N 0.431 109.237 108.800 0.010 0.000 2.298 10 G HA2 -0.047 3.952 3.960 0.065 0.000 0.309 10 G HA3 -0.047 3.952 3.960 0.065 0.000 0.309 10 G C -1.375 173.532 174.900 0.012 0.000 1.279 10 G CA -0.844 44.262 45.100 0.009 0.000 1.042 10 G HN 0.021 nan 8.290 nan 0.000 0.480 11 E N 0.018 120.223 120.200 0.009 0.000 2.235 11 E HA 0.804 5.193 4.350 0.065 0.000 0.265 11 E C -0.315 176.289 176.600 0.007 0.000 0.940 11 E CA -0.990 55.416 56.400 0.010 0.000 0.819 11 E CB 2.067 31.771 29.700 0.006 0.000 1.206 11 E HN 0.455 nan 8.360 nan 0.000 0.409 12 R N 0.701 121.206 120.500 0.008 0.000 2.781 12 R HA 0.359 4.738 4.340 0.065 0.000 0.269 12 R C -1.385 174.916 176.300 0.001 0.000 1.025 12 R CA -0.769 55.335 56.100 0.006 0.000 0.914 12 R CB 1.429 31.737 30.300 0.013 0.000 1.236 12 R HN 0.546 nan 8.270 nan 0.000 0.465 13 D N 1.881 122.280 120.400 -0.002 0.000 2.303 13 D HA 0.429 5.108 4.640 0.065 0.000 0.236 13 D C -0.122 176.169 176.300 -0.014 0.000 1.068 13 D CA -0.201 53.790 54.000 -0.014 0.000 0.830 13 D CB 1.667 42.456 40.800 -0.017 0.000 1.109 13 D HN 0.260 nan 8.370 nan 0.000 0.496 14 I N 2.992 123.539 120.570 -0.037 0.000 2.412 14 I HA 0.226 4.434 4.170 0.065 0.000 0.296 14 I C -2.249 173.803 176.117 -0.109 0.000 0.987 14 I CA -2.361 58.900 61.300 -0.064 0.000 1.180 14 I CB 1.821 39.766 38.000 -0.092 0.000 1.340 14 I HN -0.055 nan 8.210 nan 0.000 0.455 15 P HA -0.012 nan 4.420 nan 0.000 0.260 15 P C 0.748 177.932 177.300 -0.193 0.000 1.172 15 P CA 0.048 63.067 63.100 -0.135 0.000 0.760 15 P CB 0.356 31.981 31.700 -0.125 0.000 0.773 16 M N 2.495 122.000 119.600 -0.159 0.000 2.089 16 M HA -0.248 4.271 4.480 0.065 0.000 0.257 16 M C 1.642 177.797 176.300 -0.242 0.000 1.071 16 M CA 1.859 57.050 55.300 -0.181 0.000 1.096 16 M CB -1.263 31.255 32.600 -0.137 0.000 1.330 16 M HN 0.525 nan 8.290 nan 0.000 0.403 17 D N 0.089 120.362 120.400 -0.213 0.000 2.600 17 D HA -0.178 4.501 4.640 0.065 0.000 0.194 17 D C 0.347 176.417 176.300 -0.383 0.000 1.040 17 D CA 1.730 55.588 54.000 -0.237 0.000 0.871 17 D CB -0.041 40.666 40.800 -0.154 0.000 0.973 17 D HN 0.386 nan 8.370 nan 0.000 0.470 18 A N -0.988 121.575 122.820 -0.429 0.000 2.462 18 A HA 0.126 4.485 4.320 0.065 0.000 0.243 18 A C 0.367 177.578 177.584 -0.622 0.000 1.076 18 A CA -0.126 51.550 52.037 -0.601 0.000 0.773 18 A CB 0.074 18.426 19.000 -1.080 0.000 1.010 18 A HN 0.310 nan 8.150 nan 0.000 0.493 19 Y N 1.380 121.475 120.300 -0.342 0.000 2.490 19 Y HA 0.101 4.690 4.550 0.065 0.000 0.285 19 Y C 0.894 176.698 175.900 -0.160 0.000 1.117 19 Y CA 0.597 58.580 58.100 -0.195 0.000 1.262 19 Y CB -0.313 38.088 38.460 -0.099 0.000 1.043 19 Y HN 0.716 nan 8.280 nan 0.000 0.553 20 F N -0.444 119.521 119.950 0.024 0.000 2.403 20 F HA 0.659 5.225 4.527 0.065 0.000 0.320 20 F C 0.788 176.592 175.800 0.007 0.000 1.176 20 F CA -0.945 57.034 58.000 -0.034 0.000 1.206 20 F CB 0.073 39.017 39.000 -0.093 0.000 1.235 20 F HN -0.092 nan 8.300 nan 0.000 0.565 21 G N 0.575 109.514 108.800 0.232 0.000 3.135 21 G HA2 0.316 4.315 3.960 0.065 0.000 0.159 21 G HA3 0.316 4.315 3.960 0.065 0.000 0.159 21 G C 0.300 175.321 174.900 0.200 0.000 1.244 21 G CA -0.425 44.770 45.100 0.158 0.000 0.965 21 G HN 0.966 nan 8.290 nan 0.000 0.599 22 I N -0.253 120.390 120.570 0.122 0.000 2.315 22 I HA -0.146 4.063 4.170 0.065 0.000 0.248 22 I C 2.657 178.817 176.117 0.073 0.000 1.117 22 I CA 1.454 62.809 61.300 0.093 0.000 1.404 22 I CB -0.038 38.001 38.000 0.065 0.000 1.071 22 I HN 0.488 nan 8.210 nan 0.000 0.419 23 Q N -0.200 119.632 119.800 0.054 0.000 2.119 23 Q HA -0.161 4.218 4.340 0.065 0.000 0.201 23 Q C 2.069 178.087 176.000 0.030 0.000 0.972 23 Q CA 2.100 57.921 55.803 0.030 0.000 0.847 23 Q CB -0.182 28.566 28.738 0.017 0.000 0.903 23 Q HN 0.508 nan 8.270 nan 0.000 0.433 24 T N 1.646 116.235 114.554 0.058 0.000 2.821 24 T HA -0.111 4.278 4.350 0.065 0.000 0.267 24 T C 1.790 176.454 174.700 -0.060 0.000 1.046 24 T CA 0.764 62.860 62.100 -0.007 0.000 1.139 24 T CB -0.184 68.676 68.868 -0.013 0.000 0.871 24 T HN 0.113 nan 8.240 nan 0.000 0.454 25 L N 1.462 122.724 121.223 0.065 0.000 2.017 25 L HA -0.024 4.355 4.340 0.065 0.000 0.208 25 L C 2.447 179.307 176.870 -0.017 0.000 1.073 25 L CA 1.706 56.584 54.840 0.064 0.000 0.745 25 L CB -0.412 41.757 42.059 0.184 0.000 0.894 25 L HN 0.061 nan 8.230 nan 0.000 0.432 26 R N -0.375 120.110 120.500 -0.025 0.000 2.083 26 R HA -0.134 4.245 4.340 0.065 0.000 0.237 26 R C 2.276 178.475 176.300 -0.167 0.000 1.137 26 R CA 1.359 57.410 56.100 -0.083 0.000 0.951 26 R CB -0.849 29.408 30.300 -0.072 0.000 0.851 26 R HN 0.533 nan 8.270 nan 0.000 0.434 27 A N 0.911 123.651 122.820 -0.133 0.000 1.940 27 A HA -0.141 4.217 4.320 0.065 0.000 0.219 27 A C 2.393 179.907 177.584 -0.117 0.000 1.176 27 A CA 1.543 53.492 52.037 -0.147 0.000 0.631 27 A CB -0.597 18.447 19.000 0.073 0.000 0.814 27 A HN 0.132 nan 8.150 nan 0.000 0.446 28 V N -0.167 119.689 119.914 -0.098 0.000 2.332 28 V HA -0.295 3.863 4.120 0.065 0.000 0.248 28 V C 2.427 178.473 176.094 -0.080 0.000 1.055 28 V CA 2.474 64.726 62.300 -0.080 0.000 1.038 28 V CB -0.764 30.989 31.823 -0.117 0.000 0.651 28 V HN 0.670 nan 8.190 nan 0.000 0.450 29 E N -0.103 120.028 120.200 -0.116 0.000 2.076 29 E HA -0.129 4.259 4.350 0.065 0.000 0.190 29 E C 2.109 178.605 176.600 -0.173 0.000 0.979 29 E CA 0.979 57.312 56.400 -0.111 0.000 0.807 29 E CB -0.182 29.462 29.700 -0.094 0.000 0.761 29 E HN 0.534 nan 8.360 nan 0.000 0.454 30 N N 0.120 118.612 118.700 -0.346 0.000 2.289 30 N HA -0.107 4.672 4.740 0.065 0.000 0.184 30 N C 0.231 175.445 175.510 -0.494 0.000 1.016 30 N CA 0.975 53.682 53.050 -0.571 0.000 0.872 30 N CB 0.083 37.950 38.487 -1.033 0.000 0.973 30 N HN 0.103 nan 8.380 nan 0.000 0.433 31 F N -0.404 119.541 119.950 -0.007 0.000 2.881 31 F HA 0.294 4.860 4.527 0.065 0.000 0.343 31 F C 0.569 176.369 175.800 -0.001 0.000 1.233 31 F CA -1.163 56.839 58.000 0.003 0.000 1.262 31 F CB -0.172 38.835 39.000 0.011 0.000 0.980 31 F HN -0.290 nan 8.300 nan 0.000 0.506 32 S N 1.394 117.158 115.700 0.107 0.000 2.416 32 S HA 0.501 5.010 4.470 0.065 0.000 0.302 32 S C 0.643 175.271 174.600 0.047 0.000 1.120 32 S CA -0.032 58.203 58.200 0.059 0.000 1.067 32 S CB 0.004 63.213 63.200 0.016 0.000 1.057 32 S HN 0.508 nan 8.310 nan 0.000 0.518 33 L N 3.849 125.099 121.223 0.043 0.000 2.860 33 L HA 0.198 4.577 4.340 0.065 0.000 0.251 33 L C 1.941 178.765 176.870 -0.077 0.000 1.041 33 L CA 0.404 55.230 54.840 -0.025 0.000 0.985 33 L CB -0.151 41.886 42.059 -0.038 0.000 1.656 33 L HN 0.689 nan 8.230 nan 0.000 0.526 34 S N -3.214 112.479 115.700 -0.011 0.000 2.593 34 S HA 0.094 4.602 4.470 0.065 0.000 0.235 34 S C 0.464 175.060 174.600 -0.008 0.000 1.059 34 S CA 0.294 58.489 58.200 -0.008 0.000 0.953 34 S CB 0.590 63.883 63.200 0.155 0.000 0.897 34 S HN 0.285 nan 8.310 nan 0.000 0.507 35 D N 0.405 120.799 120.400 -0.011 0.000 3.079 35 D HA -0.108 4.570 4.640 0.065 0.000 0.214 35 D C -0.622 175.594 176.300 -0.140 0.000 1.145 35 D CA 0.874 54.853 54.000 -0.035 0.000 0.958 35 D CB -1.826 38.963 40.800 -0.018 0.000 1.117 35 D HN 0.459 nan 8.370 nan 0.000 0.416 36 V N 0.464 120.274 119.914 -0.173 0.000 2.333 36 V HA 0.670 4.828 4.120 0.065 0.000 0.274 36 V C 0.829 176.801 176.094 -0.203 0.000 1.028 36 V CA -0.275 61.788 62.300 -0.396 0.000 0.851 36 V CB 1.491 33.122 31.823 -0.320 0.000 1.000 36 V HN 0.317 nan 8.190 nan 0.000 0.456 37 A N 3.962 126.761 122.820 -0.036 0.000 2.252 37 A HA 0.669 5.027 4.320 0.065 0.000 0.305 37 A C 1.019 178.687 177.584 0.140 0.000 1.097 37 A CA -0.579 51.520 52.037 0.103 0.000 0.849 37 A CB 0.426 19.530 19.000 0.174 0.000 1.142 37 A HN 0.645 nan 8.150 nan 0.000 0.499 38 L N 0.659 121.944 121.223 0.104 0.000 2.103 38 L HA -0.267 4.112 4.340 0.065 0.000 0.215 38 L C 2.088 179.032 176.870 0.123 0.000 1.080 38 L CA 2.647 57.554 54.840 0.112 0.000 0.764 38 L CB -1.216 40.940 42.059 0.162 0.000 0.890 38 L HN 0.947 nan 8.230 nan 0.000 0.435 39 N N -2.743 116.051 118.700 0.157 0.000 2.550 39 N HA -0.162 4.617 4.740 0.065 0.000 0.186 39 N C 1.577 177.081 175.510 -0.010 0.000 1.110 39 N CA 1.006 54.097 53.050 0.068 0.000 0.912 39 N CB -0.680 37.843 38.487 0.060 0.000 0.968 39 N HN 0.484 nan 8.380 nan 0.000 0.448 40 H N 0.104 119.202 119.070 0.046 0.000 2.512 40 H HA 0.167 4.762 4.556 0.064 0.000 0.279 40 H C 0.429 175.794 175.328 0.062 0.000 0.999 40 H CA 0.757 56.841 56.048 0.060 0.000 1.283 40 H CB 0.560 30.371 29.762 0.082 0.000 1.421 40 H HN 0.421 nan 8.280 nan 0.000 0.554 41 I N -0.747 119.908 120.570 0.141 0.000 2.886 41 I HA 0.248 4.457 4.170 0.065 0.000 0.311 41 I C -2.133 173.981 176.117 -0.004 0.000 1.287 41 I CA -1.981 59.364 61.300 0.075 0.000 0.995 41 I CB 1.212 39.272 38.000 0.100 0.000 1.962 41 I HN -0.253 nan 8.210 nan 0.000 0.586 42 P HA -0.251 nan 4.420 nan 0.000 0.218 42 P C 1.708 178.947 177.300 -0.102 0.000 1.146 42 P CA 1.909 64.961 63.100 -0.080 0.000 0.813 42 P CB 0.354 32.015 31.700 -0.064 0.000 0.778 43 A N 0.344 123.120 122.820 -0.074 0.000 1.873 43 A HA -0.222 4.137 4.320 0.065 0.000 0.218 43 A C 2.273 179.788 177.584 -0.116 0.000 1.193 43 A CA 2.011 53.997 52.037 -0.085 0.000 0.629 43 A CB -1.705 17.254 19.000 -0.068 0.000 0.826 43 A HN 0.203 nan 8.150 nan 0.000 0.447 44 L N 0.068 121.220 121.223 -0.119 0.000 1.989 44 L HA -0.162 4.217 4.340 0.065 0.000 0.211 44 L C 2.449 179.217 176.870 -0.171 0.000 1.071 44 L CA 2.287 57.040 54.840 -0.145 0.000 0.749 44 L CB -0.700 41.284 42.059 -0.125 0.000 0.890 44 L HN 0.187 nan 8.230 nan 0.000 0.431 45 V N 0.102 119.883 119.914 -0.222 0.000 2.278 45 V HA -0.378 3.781 4.120 0.065 0.000 0.251 45 V C 2.726 178.610 176.094 -0.350 0.000 1.062 45 V CA 2.428 64.472 62.300 -0.426 0.000 1.038 45 V CB -0.815 30.613 31.823 -0.658 0.000 0.646 45 V HN 0.491 nan 8.190 nan 0.000 0.447 46 R N 0.123 120.481 120.500 -0.236 0.000 2.073 46 R HA -0.098 4.281 4.340 0.065 0.000 0.234 46 R C 2.477 178.702 176.300 -0.125 0.000 1.134 46 R CA 1.471 57.473 56.100 -0.163 0.000 0.952 46 R CB -0.688 29.541 30.300 -0.119 0.000 0.850 46 R HN 0.537 nan 8.270 nan 0.000 0.433 47 A N 1.320 124.066 122.820 -0.124 0.000 1.933 47 A HA -0.137 4.222 4.320 0.065 0.000 0.218 47 A C 2.196 179.728 177.584 -0.087 0.000 1.175 47 A CA 1.165 53.139 52.037 -0.106 0.000 0.628 47 A CB -0.532 18.392 19.000 -0.128 0.000 0.814 47 A HN 0.187 nan 8.150 nan 0.000 0.444 48 L N -0.897 120.270 121.223 -0.093 0.000 2.046 48 L HA -0.207 4.171 4.340 0.065 0.000 0.208 48 L C 3.056 179.918 176.870 -0.014 0.000 1.077 48 L CA 1.177 55.993 54.840 -0.039 0.000 0.747 48 L CB -0.403 41.645 42.059 -0.019 0.000 0.896 48 L HN 0.440 nan 8.230 nan 0.000 0.432 49 A N -0.835 121.959 122.820 -0.044 0.000 2.015 49 A HA -0.180 4.179 4.320 0.065 0.000 0.219 49 A C 2.241 179.819 177.584 -0.011 0.000 1.163 49 A CA 1.327 53.356 52.037 -0.013 0.000 0.646 49 A CB -0.385 18.595 19.000 -0.033 0.000 0.806 49 A HN 0.355 nan 8.150 nan 0.000 0.448 50 M N -0.864 118.719 119.600 -0.028 0.000 2.132 50 M HA -0.113 4.405 4.480 0.065 0.000 0.263 50 M C 2.058 178.356 176.300 -0.004 0.000 1.065 50 M CA 1.369 56.657 55.300 -0.021 0.000 1.122 50 M CB -0.342 32.237 32.600 -0.035 0.000 1.365 50 M HN 0.247 nan 8.290 nan 0.000 0.411 51 V N -0.023 119.889 119.914 -0.003 0.000 2.307 51 V HA -0.230 3.929 4.120 0.065 0.000 0.245 51 V C 2.301 178.424 176.094 0.048 0.000 1.045 51 V CA 1.515 63.825 62.300 0.016 0.000 1.024 51 V CB -0.705 31.126 31.823 0.014 0.000 0.651 51 V HN 0.309 nan 8.190 nan 0.000 0.449 52 K N 0.661 121.095 120.400 0.055 0.000 2.089 52 K HA -0.229 4.130 4.320 0.065 0.000 0.210 52 K C 2.119 178.766 176.600 0.078 0.000 1.048 52 K CA 1.739 58.072 56.287 0.077 0.000 0.926 52 K CB -0.540 32.005 32.500 0.076 0.000 0.714 52 K HN 0.461 nan 8.250 nan 0.000 0.448 53 K N -0.406 120.025 120.400 0.052 0.000 2.097 53 K HA -0.039 4.320 4.320 0.065 0.000 0.205 53 K C 1.920 178.567 176.600 0.079 0.000 1.050 53 K CA 1.163 57.480 56.287 0.049 0.000 0.938 53 K CB -0.102 32.407 32.500 0.016 0.000 0.718 53 K HN 0.131 nan 8.250 nan 0.000 0.442 54 A N 1.045 123.900 122.820 0.058 0.000 1.877 54 A HA -0.091 4.267 4.320 0.065 0.000 0.216 54 A C 2.316 179.944 177.584 0.075 0.000 1.186 54 A CA 1.826 53.890 52.037 0.045 0.000 0.620 54 A CB -0.806 18.195 19.000 0.002 0.000 0.822 54 A HN 0.457 nan 8.150 nan 0.000 0.443 55 A N -0.112 122.777 122.820 0.115 0.000 1.873 55 A HA 0.187 4.546 4.320 0.065 0.000 0.215 55 A C 2.543 180.288 177.584 0.267 0.000 1.186 55 A CA 2.125 54.299 52.037 0.228 0.000 0.616 55 A CB -1.179 17.987 19.000 0.277 0.000 0.823 55 A HN 1.101 nan 8.150 nan 0.000 0.442 56 A N -0.749 122.202 122.820 0.219 0.000 1.873 56 A HA -0.189 4.170 4.320 0.065 0.000 0.218 56 A C 2.330 180.127 177.584 0.355 0.000 1.193 56 A CA 2.649 54.845 52.037 0.264 0.000 0.629 56 A CB -1.522 17.606 19.000 0.213 0.000 0.826 56 A HN 0.451 nan 8.150 nan 0.000 0.447 57 T N 0.161 114.913 114.554 0.329 0.000 2.746 57 T HA -0.021 4.368 4.350 0.065 0.000 0.267 57 T C 2.220 177.038 174.700 0.197 0.000 1.039 57 T CA 1.740 64.044 62.100 0.340 0.000 1.142 57 T CB -0.527 68.509 68.868 0.281 0.000 0.866 57 T HN 0.645 nan 8.240 nan 0.000 0.444 58 A N 2.648 125.552 122.820 0.141 0.000 1.858 58 A HA -0.182 4.177 4.320 0.065 0.000 0.216 58 A C 2.270 179.953 177.584 0.165 0.000 1.190 58 A CA 1.628 53.715 52.037 0.085 0.000 0.617 58 A CB -0.773 18.194 19.000 -0.054 0.000 0.827 58 A HN 0.404 nan 8.150 nan 0.000 0.443 59 N N -1.152 117.709 118.700 0.268 0.000 2.094 59 N HA -0.227 4.552 4.740 0.065 0.000 0.191 59 N C 1.606 177.188 175.510 0.119 0.000 1.023 59 N CA 1.956 55.127 53.050 0.202 0.000 0.857 59 N CB -0.739 37.862 38.487 0.189 0.000 1.013 59 N HN 0.707 nan 8.380 nan 0.000 0.426 60 Y N 1.761 122.063 120.300 0.003 0.000 2.181 60 Y HA -0.111 4.478 4.550 0.065 0.000 0.288 60 Y C 1.957 177.765 175.900 -0.154 0.000 1.146 60 Y CA 1.597 59.613 58.100 -0.139 0.000 1.164 60 Y CB -0.168 38.006 38.460 -0.476 0.000 0.982 60 Y HN -0.062 nan 8.280 nan 0.000 0.515 61 K N 0.039 120.250 120.400 -0.316 0.000 2.365 61 K HA 0.011 4.370 4.320 0.065 0.000 0.199 61 K C 1.062 177.514 176.600 -0.247 0.000 1.045 61 K CA 0.957 57.025 56.287 -0.365 0.000 0.962 61 K CB -0.077 32.330 32.500 -0.155 0.000 0.759 61 K HN 0.372 nan 8.250 nan 0.000 0.469 62 L N 0.165 121.300 121.223 -0.147 0.000 2.818 62 L HA 0.223 4.601 4.340 0.065 0.000 0.243 62 L C -0.287 176.529 176.870 -0.090 0.000 1.185 62 L CA -0.252 54.538 54.840 -0.084 0.000 0.988 62 L CB 0.150 42.207 42.059 -0.003 0.000 1.292 62 L HN 0.023 nan 8.230 nan 0.000 0.519 63 R N -0.567 119.837 120.500 -0.160 0.000 3.878 63 R HA -0.228 4.150 4.340 0.065 0.000 0.330 63 R C 1.077 177.350 176.300 -0.045 0.000 1.186 63 R CA 0.709 56.735 56.100 -0.124 0.000 0.885 63 R CB -2.266 27.976 30.300 -0.097 0.000 1.377 63 R HN 0.414 nan 8.270 nan 0.000 0.523 64 Q N -0.725 119.065 119.800 -0.017 0.000 2.378 64 Q HA 0.269 4.647 4.340 0.065 0.000 0.216 64 Q C -0.227 175.805 176.000 0.053 0.000 0.892 64 Q CA 0.261 56.074 55.803 0.016 0.000 0.931 64 Q CB 0.597 29.341 28.738 0.010 0.000 1.086 64 Q HN 0.218 nan 8.270 nan 0.000 0.528 65 L N 1.338 122.619 121.223 0.096 0.000 2.325 65 L HA 0.497 4.876 4.340 0.065 0.000 0.281 65 L C -2.663 174.334 176.870 0.211 0.000 1.004 65 L CA -2.366 52.569 54.840 0.158 0.000 0.823 65 L CB 1.271 43.457 42.059 0.212 0.000 1.236 65 L HN -0.211 nan 8.230 nan 0.000 0.415 66 P HA 0.067 nan 4.420 nan 0.000 0.266 66 P C 0.334 177.777 177.300 0.239 0.000 1.195 66 P CA 0.083 63.289 63.100 0.176 0.000 0.768 66 P CB 0.672 32.444 31.700 0.120 0.000 0.838 67 E N 5.171 125.529 120.200 0.263 0.000 2.070 67 E HA -0.212 4.177 4.350 0.065 0.000 0.197 67 E C -0.680 176.010 176.600 0.151 0.000 1.004 67 E CA 1.746 58.291 56.400 0.240 0.000 0.805 67 E CB -0.972 28.875 29.700 0.244 0.000 0.744 67 E HN 0.448 nan 8.360 nan 0.000 0.451 68 P HA -0.173 nan 4.420 nan 0.000 0.216 68 P C 0.688 178.026 177.300 0.062 0.000 1.153 68 P CA 1.589 64.731 63.100 0.071 0.000 0.848 68 P CB -0.035 31.704 31.700 0.065 0.000 0.787 69 K N -1.134 119.324 120.400 0.097 0.000 2.103 69 K HA -0.152 4.207 4.320 0.065 0.000 0.204 69 K C 2.440 179.092 176.600 0.086 0.000 1.052 69 K CA 1.085 57.427 56.287 0.092 0.000 0.945 69 K CB -0.780 31.788 32.500 0.114 0.000 0.722 69 K HN 0.101 nan 8.250 nan 0.000 0.443 70 Y N 1.931 122.225 120.300 -0.011 0.000 2.114 70 Y HA -0.313 4.275 4.550 0.065 0.000 0.282 70 Y C 2.217 178.040 175.900 -0.128 0.000 1.165 70 Y CA 1.641 59.691 58.100 -0.083 0.000 1.148 70 Y CB -0.505 37.804 38.460 -0.251 0.000 0.972 70 Y HN 0.028 nan 8.280 nan 0.000 0.504 71 A N 0.663 123.274 122.820 -0.348 0.000 1.898 71 A HA -0.036 4.323 4.320 0.065 0.000 0.216 71 A C 2.431 179.816 177.584 -0.332 0.000 1.181 71 A CA 1.875 53.636 52.037 -0.459 0.000 0.620 71 A CB -1.498 17.390 19.000 -0.187 0.000 0.819 71 A HN 0.682 nan 8.150 nan 0.000 0.442 72 A N -0.190 122.529 122.820 -0.168 0.000 1.898 72 A HA -0.005 4.353 4.320 0.065 0.000 0.216 72 A C 2.107 179.656 177.584 -0.059 0.000 1.181 72 A CA 1.384 53.376 52.037 -0.075 0.000 0.620 72 A CB -0.546 18.468 19.000 0.024 0.000 0.819 72 A HN 0.467 nan 8.150 nan 0.000 0.442 73 I N -0.550 119.976 120.570 -0.073 0.000 2.226 73 I HA -0.205 4.003 4.170 0.065 0.000 0.245 73 I C 2.354 178.416 176.117 -0.092 0.000 1.100 73 I CA 1.010 62.289 61.300 -0.035 0.000 1.374 73 I CB -0.213 37.794 38.000 0.012 0.000 1.057 73 I HN 0.151 nan 8.210 nan 0.000 0.413 74 V N 0.926 120.696 119.914 -0.241 0.000 2.295 74 V HA -0.299 3.860 4.120 0.065 0.000 0.246 74 V C 2.694 178.671 176.094 -0.196 0.000 1.049 74 V CA 2.008 64.148 62.300 -0.268 0.000 1.024 74 V CB -0.946 30.553 31.823 -0.539 0.000 0.648 74 V HN 0.503 nan 8.190 nan 0.000 0.447 75 A N -0.207 122.470 122.820 -0.237 0.000 1.978 75 A HA -0.135 4.224 4.320 0.065 0.000 0.220 75 A C 2.372 179.920 177.584 -0.059 0.000 1.170 75 A CA 2.145 54.039 52.037 -0.238 0.000 0.636 75 A CB -0.635 18.044 19.000 -0.534 0.000 0.810 75 A HN 0.582 nan 8.150 nan 0.000 0.448 76 A N -1.117 121.720 122.820 0.029 0.000 1.897 76 A HA -0.100 4.258 4.320 0.065 0.000 0.215 76 A C 2.291 179.895 177.584 0.035 0.000 1.181 76 A CA 1.488 53.576 52.037 0.086 0.000 0.620 76 A CB -1.201 17.855 19.000 0.094 0.000 0.821 76 A HN 0.584 nan 8.150 nan 0.000 0.443 77 C N -0.271 119.034 119.300 0.009 0.000 2.429 77 C HA -0.105 4.394 4.460 0.065 0.000 0.277 77 C C 2.352 177.336 174.990 -0.011 0.000 1.262 77 C CA 1.113 60.135 59.018 0.007 0.000 1.733 77 C CB -1.224 26.514 27.740 -0.003 0.000 2.010 77 C HN 0.596 nan 8.230 nan 0.000 0.483 78 D N 0.947 121.329 120.400 -0.030 0.000 2.133 78 D HA -0.118 4.561 4.640 0.065 0.000 0.195 78 D C 1.698 177.989 176.300 -0.016 0.000 0.997 78 D CA 1.397 55.377 54.000 -0.033 0.000 0.840 78 D CB -0.507 40.259 40.800 -0.056 0.000 0.947 78 D HN 0.503 nan 8.370 nan 0.000 0.452 79 D N -0.104 120.298 120.400 0.004 0.000 2.097 79 D HA -0.059 4.620 4.640 0.065 0.000 0.197 79 D C 2.322 178.621 176.300 -0.000 0.000 0.984 79 D CA 0.397 54.403 54.000 0.010 0.000 0.826 79 D CB -0.260 40.555 40.800 0.026 0.000 0.973 79 D HN 0.272 nan 8.370 nan 0.000 0.460 80 I N 0.741 121.315 120.570 0.007 0.000 2.226 80 I HA -0.213 3.995 4.170 0.065 0.000 0.245 80 I C 2.344 178.436 176.117 -0.042 0.000 1.100 80 I CA 0.727 62.026 61.300 -0.001 0.000 1.374 80 I CB -0.141 37.879 38.000 0.033 0.000 1.057 80 I HN -0.071 nan 8.210 nan 0.000 0.413 81 I N 0.521 121.068 120.570 -0.038 0.000 2.361 81 I HA -0.273 3.936 4.170 0.065 0.000 0.251 81 I C 1.275 177.368 176.117 -0.040 0.000 1.133 81 I CA 1.274 62.546 61.300 -0.047 0.000 1.413 81 I CB -0.319 37.658 38.000 -0.039 0.000 1.073 81 I HN 0.220 nan 8.210 nan 0.000 0.424 82 D N 0.345 120.728 120.400 -0.028 0.000 2.328 82 D HA 0.121 4.800 4.640 0.065 0.000 0.226 82 D C 1.575 177.864 176.300 -0.019 0.000 1.066 82 D CA 0.876 54.863 54.000 -0.022 0.000 0.861 82 D CB 0.603 41.394 40.800 -0.015 0.000 0.912 82 D HN 0.432 nan 8.370 nan 0.000 0.521 83 G N 0.329 109.114 108.800 -0.025 0.000 2.176 83 G HA2 -0.261 3.738 3.960 0.065 0.000 0.232 83 G HA3 -0.261 3.738 3.960 0.065 0.000 0.232 83 G C 0.205 175.102 174.900 -0.005 0.000 0.986 83 G CA -0.247 44.840 45.100 -0.021 0.000 0.643 83 G HN 0.229 nan 8.290 nan 0.000 0.522 84 L N 0.420 121.643 121.223 -0.000 0.000 2.464 84 L HA 0.663 5.042 4.340 0.065 0.000 0.264 84 L C 1.841 178.730 176.870 0.032 0.000 1.199 84 L CA 0.801 55.645 54.840 0.007 0.000 0.818 84 L CB 0.782 42.837 42.059 -0.008 0.000 1.102 84 L HN 0.469 nan 8.230 nan 0.000 0.473 85 L N 0.378 121.624 121.223 0.037 0.000 4.560 85 L HA -0.300 4.079 4.340 0.065 0.000 0.415 85 L C 1.359 178.374 176.870 0.242 0.000 1.123 85 L CA -0.022 54.862 54.840 0.074 0.000 0.991 85 L CB -1.240 40.811 42.059 -0.013 0.000 2.127 85 L HN 0.674 nan 8.230 nan 0.000 0.765 86 M N 1.098 120.809 119.600 0.184 0.000 2.159 86 M HA -0.135 4.384 4.480 0.065 0.000 0.263 86 M C 2.198 178.659 176.300 0.267 0.000 1.063 86 M CA 2.532 57.959 55.300 0.212 0.000 1.110 86 M CB -0.262 32.381 32.600 0.071 0.000 1.374 86 M HN 0.442 nan 8.290 nan 0.000 0.411 87 E N -1.225 119.088 120.200 0.187 0.000 2.511 87 E HA -0.133 4.256 4.350 0.065 0.000 0.196 87 E C 1.025 177.740 176.600 0.192 0.000 1.066 87 E CA 0.594 57.091 56.400 0.162 0.000 0.871 87 E CB -0.592 29.180 29.700 0.120 0.000 0.863 87 E HN 0.505 nan 8.360 nan 0.000 0.520 88 Q N -0.016 119.907 119.800 0.206 0.000 2.425 88 Q HA 0.123 4.501 4.340 0.065 0.000 0.204 88 Q C -0.238 175.685 176.000 -0.128 0.000 0.933 88 Q CA 0.199 56.090 55.803 0.148 0.000 0.939 88 Q CB -0.153 28.635 28.738 0.083 0.000 1.044 88 Q HN 0.270 nan 8.270 nan 0.000 0.513 89 F N 1.197 121.196 119.950 0.081 0.000 2.384 89 F HA 0.109 4.675 4.527 0.065 0.000 0.359 89 F C 1.178 176.966 175.800 -0.019 0.000 1.143 89 F CA -0.582 57.433 58.000 0.024 0.000 1.216 89 F CB 0.619 39.640 39.000 0.034 0.000 1.512 89 F HN -0.227 nan 8.300 nan 0.000 0.573 90 V N -0.664 119.220 119.914 -0.050 0.000 3.605 90 V HA 0.216 4.375 4.120 0.065 0.000 0.284 90 V C 0.528 176.584 176.094 -0.063 0.000 1.386 90 V CA -0.214 62.029 62.300 -0.096 0.000 1.053 90 V CB -0.516 31.118 31.823 -0.315 0.000 0.857 90 V HN 0.165 nan 8.190 nan 0.000 0.436 91 V N 2.259 122.153 119.914 -0.033 0.000 2.843 91 V HA 0.128 4.287 4.120 0.065 0.000 0.305 91 V C 0.531 176.648 176.094 0.039 0.000 1.065 91 V CA 0.188 62.500 62.300 0.021 0.000 1.116 91 V CB 0.769 32.626 31.823 0.057 0.000 0.968 91 V HN 0.482 nan 8.190 nan 0.000 0.487 92 D N 2.043 122.479 120.400 0.060 0.000 2.389 92 D HA 0.052 4.730 4.640 0.065 0.000 0.247 92 D C 1.132 177.393 176.300 -0.065 0.000 1.128 92 D CA -0.005 54.011 54.000 0.027 0.000 0.884 92 D CB 1.892 42.758 40.800 0.110 0.000 1.194 92 D HN 0.455 nan 8.370 nan 0.000 0.441 93 V N 2.462 122.250 119.914 -0.210 0.000 2.720 93 V HA -0.158 4.000 4.120 0.065 0.000 0.256 93 V C 1.551 177.344 176.094 -0.501 0.000 1.082 93 V CA 1.074 63.124 62.300 -0.416 0.000 1.101 93 V CB -0.957 30.379 31.823 -0.811 0.000 0.693 93 V HN 0.408 nan 8.190 nan 0.000 0.479 94 F N 2.333 122.138 119.950 -0.242 0.000 2.769 94 F HA 0.235 4.799 4.527 0.062 0.000 0.304 94 F C 1.567 177.210 175.800 -0.261 0.000 1.158 94 F CA -0.518 57.366 58.000 -0.194 0.000 1.398 94 F CB -0.753 38.161 39.000 -0.143 0.000 1.094 94 F HN 0.410 nan 8.300 nan 0.000 0.553 95 Q N 0.621 120.273 119.800 -0.246 0.000 2.348 95 Q HA 0.095 4.474 4.340 0.065 0.000 0.331 95 Q C 0.721 176.246 176.000 -0.793 0.000 1.099 95 Q CA 0.335 55.701 55.803 -0.728 0.000 1.021 95 Q CB 0.202 28.662 28.738 -0.464 0.000 1.166 95 Q HN 0.316 nan 8.270 nan 0.000 0.393 96 G N 0.773 108.747 108.800 -1.377 0.000 2.651 96 G HA2 0.422 4.421 3.960 0.065 0.000 0.260 96 G HA3 0.422 4.421 3.960 0.065 0.000 0.260 96 G C 0.835 175.460 174.900 -0.458 0.000 1.216 96 G CA -0.257 44.468 45.100 -0.626 0.000 0.913 96 G HN 1.292 nan 8.290 nan 0.000 0.535 97 G N -1.829 106.860 108.800 -0.184 0.000 2.201 97 G HA2 0.203 4.201 3.960 0.065 0.000 0.212 97 G HA3 0.203 4.201 3.960 0.065 0.000 0.212 97 G C 1.064 175.848 174.900 -0.193 0.000 0.994 97 G CA 1.130 46.156 45.100 -0.125 0.000 0.644 97 G HN 2.466 nan 8.290 nan 0.000 0.508 98 A N -0.807 121.862 122.820 -0.250 0.000 2.952 98 A HA 0.414 4.773 4.320 0.065 0.000 0.252 98 A C 2.099 179.405 177.584 -0.463 0.000 1.323 98 A CA 1.960 53.830 52.037 -0.280 0.000 0.957 98 A CB -1.508 17.365 19.000 -0.212 0.000 1.130 98 A HN 2.817 nan 8.150 nan 0.000 0.799 99 G N -4.248 104.190 108.800 -0.604 0.000 2.192 99 G HA2 -0.068 3.931 3.960 0.065 0.000 0.193 99 G HA3 -0.068 3.931 3.960 0.065 0.000 0.193 99 G C 1.056 175.608 174.900 -0.581 0.000 0.999 99 G CA 1.108 45.517 45.100 -1.150 0.000 0.659 99 G HN 1.384 nan 8.290 nan 0.000 0.503 100 T N 1.100 115.478 114.554 -0.293 0.000 2.833 100 T HA -0.047 4.341 4.350 0.065 0.000 0.269 100 T C 2.524 177.195 174.700 -0.050 0.000 1.054 100 T CA 2.052 64.081 62.100 -0.118 0.000 1.135 100 T CB -0.183 68.649 68.868 -0.059 0.000 0.869 100 T HN 0.379 nan 8.240 nan 0.000 0.466 101 S N 0.928 116.602 115.700 -0.043 0.000 2.436 101 S HA 0.006 4.515 4.470 0.065 0.000 0.228 101 S C 2.426 177.053 174.600 0.045 0.000 1.014 101 S CA 0.508 58.734 58.200 0.044 0.000 0.950 101 S CB -0.138 63.147 63.200 0.142 0.000 0.784 101 S HN 0.398 nan 8.310 nan 0.000 0.504 102 S N 2.032 117.740 115.700 0.014 0.000 2.362 102 S HA -0.046 4.462 4.470 0.065 0.000 0.221 102 S C 1.809 176.508 174.600 0.166 0.000 1.032 102 S CA 0.849 59.121 58.200 0.121 0.000 0.973 102 S CB -0.476 62.839 63.200 0.191 0.000 0.849 102 S HN 0.538 nan 8.310 nan 0.000 0.465 103 N N 1.480 120.253 118.700 0.120 0.000 2.094 103 N HA -0.097 4.682 4.740 0.065 0.000 0.191 103 N C 1.627 177.203 175.510 0.110 0.000 1.023 103 N CA 1.497 54.624 53.050 0.129 0.000 0.857 103 N CB -0.218 38.322 38.487 0.087 0.000 1.013 103 N HN 0.171 nan 8.380 nan 0.000 0.426 104 M N 0.106 119.752 119.600 0.077 0.000 2.200 104 M HA -0.015 4.504 4.480 0.065 0.000 0.265 104 M C 1.910 178.250 176.300 0.066 0.000 1.066 104 M CA 0.887 56.222 55.300 0.059 0.000 1.127 104 M CB -1.434 31.189 32.600 0.038 0.000 1.379 104 M HN 0.343 nan 8.290 nan 0.000 0.420 105 N N 0.247 118.998 118.700 0.085 0.000 2.069 105 N HA -0.155 4.624 4.740 0.065 0.000 0.191 105 N C 1.683 177.253 175.510 0.100 0.000 1.031 105 N CA 1.515 54.599 53.050 0.056 0.000 0.852 105 N CB 0.138 38.686 38.487 0.102 0.000 1.018 105 N HN 0.307 nan 8.380 nan 0.000 0.423 106 A N 1.295 124.295 122.820 0.300 0.000 1.851 106 A HA -0.214 4.145 4.320 0.065 0.000 0.216 106 A C 1.964 179.660 177.584 0.188 0.000 1.195 106 A CA 1.629 53.885 52.037 0.365 0.000 0.622 106 A CB -0.882 18.289 19.000 0.284 0.000 0.831 106 A HN 0.390 nan 8.150 nan 0.000 0.444 107 N N 0.093 118.867 118.700 0.125 0.000 2.021 107 N HA -0.205 4.574 4.740 0.065 0.000 0.198 107 N C 1.697 177.232 175.510 0.041 0.000 1.041 107 N CA 1.966 55.060 53.050 0.074 0.000 0.862 107 N CB -0.594 37.921 38.487 0.046 0.000 1.048 107 N HN 0.698 nan 8.380 nan 0.000 0.427 108 E N 0.191 120.403 120.200 0.020 0.000 2.028 108 E HA -0.073 4.316 4.350 0.065 0.000 0.191 108 E C 2.109 178.750 176.600 0.069 0.000 0.988 108 E CA 0.810 57.214 56.400 0.006 0.000 0.799 108 E CB -0.045 29.671 29.700 0.027 0.000 0.755 108 E HN 0.049 nan 8.360 nan 0.000 0.447 109 V N 1.517 121.452 119.914 0.034 0.000 2.332 109 V HA -0.266 3.893 4.120 0.065 0.000 0.248 109 V C 2.265 178.401 176.094 0.070 0.000 1.055 109 V CA 1.551 63.862 62.300 0.018 0.000 1.038 109 V CB -0.371 31.308 31.823 -0.239 0.000 0.651 109 V HN 0.254 nan 8.190 nan 0.000 0.450 110 I N 0.213 120.841 120.570 0.096 0.000 2.226 110 I HA -0.248 3.961 4.170 0.065 0.000 0.245 110 I C 2.623 178.802 176.117 0.103 0.000 1.100 110 I CA 1.467 62.827 61.300 0.100 0.000 1.374 110 I CB -0.528 37.538 38.000 0.110 0.000 1.057 110 I HN 0.286 nan 8.210 nan 0.000 0.413 111 A N 0.708 123.594 122.820 0.111 0.000 1.877 111 A HA -0.225 4.134 4.320 0.065 0.000 0.216 111 A C 2.092 179.783 177.584 0.178 0.000 1.186 111 A CA 1.938 54.059 52.037 0.140 0.000 0.620 111 A CB -0.667 18.410 19.000 0.129 0.000 0.822 111 A HN 0.421 nan 8.150 nan 0.000 0.443 112 N N -0.954 117.871 118.700 0.209 0.000 2.331 112 N HA -0.114 4.665 4.740 0.065 0.000 0.180 112 N C 1.871 177.533 175.510 0.252 0.000 1.019 112 N CA 1.234 54.414 53.050 0.216 0.000 0.881 112 N CB -0.232 38.390 38.487 0.225 0.000 0.972 112 N HN 0.437 nan 8.380 nan 0.000 0.435 113 R N 1.396 122.017 120.500 0.200 0.000 2.093 113 R HA 0.173 4.551 4.340 0.065 0.000 0.224 113 R C 1.902 178.244 176.300 0.070 0.000 1.101 113 R CA 1.250 57.392 56.100 0.069 0.000 0.979 113 R CB -0.765 29.461 30.300 -0.124 0.000 0.877 113 R HN 0.092 nan 8.270 nan 0.000 0.441 114 A N 0.656 123.546 122.820 0.117 0.000 1.902 114 A HA -0.096 4.263 4.320 0.065 0.000 0.217 114 A C 2.225 179.880 177.584 0.119 0.000 1.181 114 A CA 1.500 53.620 52.037 0.138 0.000 0.623 114 A CB -0.691 18.372 19.000 0.104 0.000 0.818 114 A HN 0.340 nan 8.150 nan 0.000 0.443 115 L N -0.787 120.493 121.223 0.095 0.000 2.042 115 L HA -0.243 4.136 4.340 0.065 0.000 0.210 115 L C 2.650 179.543 176.870 0.038 0.000 1.076 115 L CA 1.985 56.862 54.840 0.061 0.000 0.749 115 L CB -0.456 41.625 42.059 0.036 0.000 0.893 115 L HN 0.599 nan 8.230 nan 0.000 0.432 116 E N -0.877 119.337 120.200 0.024 0.000 2.118 116 E HA -0.265 4.124 4.350 0.065 0.000 0.195 116 E C 2.162 178.735 176.600 -0.045 0.000 0.992 116 E CA 1.109 57.492 56.400 -0.029 0.000 0.804 116 E CB 0.048 29.729 29.700 -0.032 0.000 0.741 116 E HN 0.502 nan 8.360 nan 0.000 0.458 117 H N -0.226 118.861 119.070 0.029 0.000 2.456 117 H HA -0.063 4.531 4.556 0.064 0.000 0.296 117 H C 1.788 177.119 175.328 0.004 0.000 1.079 117 H CA 0.999 57.052 56.048 0.008 0.000 1.322 117 H CB 0.125 29.882 29.762 -0.008 0.000 1.388 117 H HN 0.243 nan 8.280 nan 0.000 0.538 118 L N -0.583 120.711 121.223 0.118 0.000 2.591 118 L HA 0.142 4.521 4.340 0.065 0.000 0.228 118 L C 1.238 178.133 176.870 0.041 0.000 1.133 118 L CA 0.376 55.257 54.840 0.069 0.000 0.880 118 L CB 0.215 42.308 42.059 0.057 0.000 1.033 118 L HN 0.258 nan 8.230 nan 0.000 0.450 119 G N 0.822 109.642 108.800 0.032 0.000 2.273 119 G HA2 -0.245 3.753 3.960 0.065 0.000 0.280 119 G HA3 -0.245 3.753 3.960 0.065 0.000 0.280 119 G C 0.163 175.061 174.900 -0.004 0.000 1.047 119 G CA -0.018 45.088 45.100 0.009 0.000 0.869 119 G HN 0.197 nan 8.290 nan 0.000 0.502 120 R N -0.352 120.144 120.500 -0.007 0.000 2.758 120 R HA 0.672 5.051 4.340 0.065 0.000 0.265 120 R C -2.223 174.048 176.300 -0.049 0.000 1.016 120 R CA -1.945 54.141 56.100 -0.023 0.000 1.040 120 R CB 1.006 31.299 30.300 -0.013 0.000 1.152 120 R HN 0.233 nan 8.270 nan 0.000 0.503 121 P HA 0.307 nan 4.420 nan 0.000 0.281 121 P C -0.615 176.598 177.300 -0.145 0.000 1.264 121 P CA -0.703 62.335 63.100 -0.104 0.000 0.824 121 P CB 0.708 32.345 31.700 -0.106 0.000 1.092 122 R N 0.568 120.966 120.500 -0.171 0.000 2.537 122 R HA 0.217 4.595 4.340 0.065 0.000 0.281 122 R C 1.347 177.462 176.300 -0.309 0.000 0.988 122 R CA 1.128 57.099 56.100 -0.216 0.000 1.077 122 R CB -1.284 28.870 30.300 -0.243 0.000 0.932 122 R HN 0.966 nan 8.270 nan 0.000 0.409 123 G N 2.226 110.735 108.800 -0.485 0.000 2.159 123 G HA2 -0.292 3.707 3.960 0.065 0.000 0.256 123 G HA3 -0.292 3.707 3.960 0.065 0.000 0.256 123 G C 0.052 174.322 174.900 -1.049 0.000 0.977 123 G CA 0.365 44.843 45.100 -1.036 0.000 0.652 123 G HN 0.659 nan 8.290 nan 0.000 0.531 124 D N 0.227 120.284 120.400 -0.571 0.000 2.597 124 D HA 0.327 5.006 4.640 0.065 0.000 0.228 124 D C 1.212 177.387 176.300 -0.207 0.000 1.120 124 D CA -0.536 53.272 54.000 -0.319 0.000 1.083 124 D CB -0.419 40.288 40.800 -0.155 0.000 1.116 124 D HN 0.367 nan 8.370 nan 0.000 0.487 125 Y N 0.722 120.984 120.300 -0.065 0.000 2.544 125 Y HA 0.024 4.612 4.550 0.065 0.000 0.286 125 Y C 2.660 178.561 175.900 0.001 0.000 1.141 125 Y CA 0.849 58.885 58.100 -0.108 0.000 1.299 125 Y CB -1.136 37.139 38.460 -0.309 0.000 1.030 125 Y HN 0.468 nan 8.280 nan 0.000 0.543 126 Q N 0.173 120.059 119.800 0.144 0.000 2.170 126 Q HA -0.146 4.232 4.340 0.065 0.000 0.203 126 Q C 2.094 178.165 176.000 0.119 0.000 0.976 126 Q CA 2.275 58.158 55.803 0.134 0.000 0.858 126 Q CB -1.387 27.396 28.738 0.075 0.000 0.907 126 Q HN 0.516 nan 8.270 nan 0.000 0.433 127 T N -0.100 114.511 114.554 0.095 0.000 2.866 127 T HA 0.235 4.624 4.350 0.065 0.000 0.250 127 T C 0.716 175.486 174.700 0.118 0.000 1.033 127 T CA 0.656 62.808 62.100 0.087 0.000 1.145 127 T CB 0.238 69.139 68.868 0.054 0.000 0.866 127 T HN 0.497 nan 8.240 nan 0.000 0.434 128 I N 2.082 122.739 120.570 0.145 0.000 2.420 128 I HA 0.292 4.501 4.170 0.065 0.000 0.282 128 I C -0.623 175.622 176.117 0.214 0.000 1.019 128 I CA -0.734 60.667 61.300 0.168 0.000 1.130 128 I CB 0.816 38.903 38.000 0.145 0.000 1.262 128 I HN 0.284 nan 8.210 nan 0.000 0.454 129 H N 8.140 127.278 119.070 0.113 0.000 2.580 129 H HA 0.253 4.848 4.556 0.064 0.000 0.322 129 H C -1.836 173.475 175.328 -0.029 0.000 1.082 129 H CA -1.455 54.620 56.048 0.045 0.000 1.383 129 H CB 2.234 32.017 29.762 0.035 0.000 1.450 129 H HN 0.253 nan 8.280 nan 0.000 0.505 130 P HA -0.152 nan 4.420 nan 0.000 0.215 130 P C 1.144 178.507 177.300 0.104 0.000 1.157 130 P CA 1.494 64.563 63.100 -0.051 0.000 0.868 130 P CB 0.492 32.034 31.700 -0.264 0.000 0.788 131 N N -1.080 117.775 118.700 0.259 0.000 2.132 131 N HA -0.122 4.656 4.740 0.065 0.000 0.187 131 N C 1.324 176.868 175.510 0.055 0.000 1.038 131 N CA 1.457 54.583 53.050 0.126 0.000 0.846 131 N CB -0.541 37.981 38.487 0.059 0.000 1.012 131 N HN -0.149 nan 8.380 nan 0.000 0.429 132 D N -0.169 120.220 120.400 -0.018 0.000 2.178 132 D HA -0.095 4.584 4.640 0.065 0.000 0.201 132 D C 0.871 177.182 176.300 0.018 0.000 0.980 132 D CA 1.037 54.984 54.000 -0.089 0.000 0.842 132 D CB -0.099 40.573 40.800 -0.213 0.000 0.948 132 D HN 0.400 nan 8.370 nan 0.000 0.472 133 D N -0.754 119.700 120.400 0.090 0.000 2.943 133 D HA 0.039 4.718 4.640 0.065 0.000 0.282 133 D C 2.265 178.621 176.300 0.094 0.000 1.148 133 D CA 0.230 54.288 54.000 0.097 0.000 1.006 133 D CB -0.104 40.772 40.800 0.126 0.000 1.168 133 D HN -0.033 nan 8.370 nan 0.000 0.450 134 V N 1.507 121.481 119.914 0.100 0.000 2.626 134 V HA -0.150 4.009 4.120 0.065 0.000 0.252 134 V C 1.566 177.711 176.094 0.086 0.000 1.067 134 V CA 1.341 63.697 62.300 0.093 0.000 1.081 134 V CB -0.516 31.359 31.823 0.086 0.000 0.686 134 V HN 0.081 nan 8.190 nan 0.000 0.468 135 N N -0.513 118.230 118.700 0.071 0.000 2.268 135 N HA 0.153 4.931 4.740 0.065 0.000 0.204 135 N C 0.513 176.038 175.510 0.025 0.000 1.124 135 N CA -0.082 53.002 53.050 0.055 0.000 0.838 135 N CB -0.071 38.444 38.487 0.047 0.000 0.994 135 N HN 0.470 nan 8.380 nan 0.000 0.489 136 M N 0.321 119.933 119.600 0.020 0.000 2.251 136 M HA -0.038 4.481 4.480 0.065 0.000 0.343 136 M C 0.207 176.434 176.300 -0.122 0.000 1.245 136 M CA 0.774 56.054 55.300 -0.034 0.000 1.061 136 M CB 0.245 32.840 32.600 -0.008 0.000 1.723 136 M HN 0.246 nan 8.290 nan 0.000 0.449 137 S N 1.137 116.708 115.700 -0.214 0.000 3.127 137 S HA -0.214 4.295 4.470 0.065 0.000 0.281 137 S C -0.510 173.929 174.600 -0.270 0.000 1.293 137 S CA 1.454 59.395 58.200 -0.431 0.000 1.156 137 S CB -1.488 61.007 63.200 -1.175 0.000 1.389 137 S HN 0.908 nan 8.310 nan 0.000 0.672 138 Q N 0.094 119.842 119.800 -0.086 0.000 2.399 138 Q HA 0.766 5.144 4.340 0.065 0.000 0.276 138 Q C -0.402 175.611 176.000 0.021 0.000 1.098 138 Q CA -0.428 55.385 55.803 0.018 0.000 0.827 138 Q CB 2.200 30.982 28.738 0.073 0.000 1.386 138 Q HN 0.191 nan 8.270 nan 0.000 0.443 139 S N -0.603 115.125 115.700 0.046 0.000 2.600 139 S HA 0.315 4.823 4.470 0.065 0.000 0.300 139 S C 0.537 175.175 174.600 0.063 0.000 1.087 139 S CA -0.467 57.758 58.200 0.043 0.000 0.965 139 S CB 1.556 64.780 63.200 0.040 0.000 1.089 139 S HN 0.635 nan 8.310 nan 0.000 0.496 140 T N 3.190 117.774 114.554 0.051 0.000 2.699 140 T HA -0.115 4.274 4.350 0.065 0.000 0.268 140 T C 1.269 176.023 174.700 0.090 0.000 1.036 140 T CA 1.763 63.899 62.100 0.060 0.000 1.147 140 T CB -0.491 68.378 68.868 0.002 0.000 0.862 140 T HN 0.669 nan 8.240 nan 0.000 0.446 141 N N 1.531 120.272 118.700 0.069 0.000 2.521 141 N HA -0.041 4.737 4.740 0.065 0.000 0.188 141 N C 1.270 176.838 175.510 0.098 0.000 1.146 141 N CA 0.884 53.984 53.050 0.085 0.000 0.893 141 N CB -0.092 38.433 38.487 0.063 0.000 0.975 141 N HN 0.685 nan 8.380 nan 0.000 0.451 142 D N -0.812 119.646 120.400 0.096 0.000 2.514 142 D HA 0.025 4.704 4.640 0.065 0.000 0.249 142 D C 1.642 177.998 176.300 0.094 0.000 1.036 142 D CA 0.038 54.091 54.000 0.089 0.000 0.911 142 D CB -0.392 40.458 40.800 0.084 0.000 1.145 142 D HN -0.094 nan 8.370 nan 0.000 0.495 143 V N 0.362 120.342 119.914 0.111 0.000 2.358 143 V HA -0.187 3.972 4.120 0.065 0.000 0.246 143 V C 2.305 178.462 176.094 0.106 0.000 1.047 143 V CA 1.572 63.935 62.300 0.105 0.000 1.035 143 V CB -0.741 31.152 31.823 0.118 0.000 0.658 143 V HN 0.195 nan 8.190 nan 0.000 0.452 144 Y N 2.229 122.540 120.300 0.018 0.000 2.184 144 Y HA -0.034 4.554 4.550 0.064 0.000 0.290 144 Y C -0.091 175.805 175.900 -0.006 0.000 1.129 144 Y CA 1.498 59.599 58.100 0.001 0.000 1.144 144 Y CB -1.307 37.150 38.460 -0.004 0.000 0.995 144 Y HN 0.293 nan 8.280 nan 0.000 0.513 145 P HA -0.108 nan 4.420 nan 0.000 0.220 145 P C 1.289 178.557 177.300 -0.053 0.000 1.148 145 P CA 1.897 64.990 63.100 -0.011 0.000 0.803 145 P CB -0.071 31.704 31.700 0.125 0.000 0.782 146 T N 0.206 114.736 114.554 -0.040 0.000 2.770 146 T HA -0.016 4.373 4.350 0.065 0.000 0.263 146 T C 2.084 176.719 174.700 -0.108 0.000 1.039 146 T CA 1.547 63.617 62.100 -0.050 0.000 1.142 146 T CB -0.774 68.085 68.868 -0.014 0.000 0.868 146 T HN 0.055 nan 8.240 nan 0.000 0.435 147 A N 0.933 123.668 122.820 -0.142 0.000 1.940 147 A HA -0.063 4.296 4.320 0.065 0.000 0.219 147 A C 2.546 179.967 177.584 -0.272 0.000 1.176 147 A CA 1.308 53.233 52.037 -0.187 0.000 0.631 147 A CB -1.013 17.875 19.000 -0.187 0.000 0.814 147 A HN 0.354 nan 8.150 nan 0.000 0.446 148 V N -0.430 119.257 119.914 -0.378 0.000 2.427 148 V HA -0.215 3.944 4.120 0.065 0.000 0.248 148 V C 2.630 178.533 176.094 -0.319 0.000 1.051 148 V CA 2.158 64.218 62.300 -0.399 0.000 1.048 148 V CB -0.699 30.832 31.823 -0.487 0.000 0.666 148 V HN 0.535 nan 8.190 nan 0.000 0.456 149 R N -0.612 119.737 120.500 -0.253 0.000 2.092 149 R HA -0.100 4.278 4.340 0.065 0.000 0.231 149 R C 2.134 178.253 176.300 -0.301 0.000 1.119 149 R CA 1.314 57.203 56.100 -0.353 0.000 0.970 149 R CB -0.365 29.836 30.300 -0.165 0.000 0.864 149 R HN 0.394 nan 8.270 nan 0.000 0.440 150 L N 0.205 121.311 121.223 -0.195 0.000 2.240 150 L HA 0.125 4.503 4.340 0.065 0.000 0.211 150 L C 2.017 178.796 176.870 -0.152 0.000 1.106 150 L CA 1.407 56.164 54.840 -0.139 0.000 0.793 150 L CB -0.364 41.634 42.059 -0.102 0.000 0.927 150 L HN 0.071 nan 8.230 nan 0.000 0.446 151 A N -0.188 122.517 122.820 -0.191 0.000 1.933 151 A HA -0.134 4.224 4.320 0.065 0.000 0.218 151 A C 2.191 179.674 177.584 -0.167 0.000 1.175 151 A CA 1.945 53.880 52.037 -0.170 0.000 0.628 151 A CB -0.796 18.092 19.000 -0.186 0.000 0.814 151 A HN 0.503 nan 8.150 nan 0.000 0.444 152 L N -0.881 120.185 121.223 -0.262 0.000 2.156 152 L HA -0.094 4.285 4.340 0.065 0.000 0.208 152 L C 2.461 179.231 176.870 -0.168 0.000 1.095 152 L CA 0.676 55.342 54.840 -0.289 0.000 0.770 152 L CB -0.501 41.174 42.059 -0.641 0.000 0.914 152 L HN 0.342 nan 8.230 nan 0.000 0.439 153 L N -0.439 120.705 121.223 -0.130 0.000 2.109 153 L HA -0.168 4.210 4.340 0.065 0.000 0.207 153 L C 2.458 179.313 176.870 -0.024 0.000 1.086 153 L CA 0.937 55.758 54.840 -0.033 0.000 0.760 153 L CB -0.310 41.739 42.059 -0.015 0.000 0.910 153 L HN 0.264 nan 8.230 nan 0.000 0.437 154 L N -1.144 120.050 121.223 -0.048 0.000 2.265 154 L HA -0.174 4.204 4.340 0.065 0.000 0.215 154 L C 2.295 179.155 176.870 -0.016 0.000 1.117 154 L CA 0.872 55.691 54.840 -0.035 0.000 0.782 154 L CB -0.329 41.699 42.059 -0.053 0.000 0.914 154 L HN 0.195 nan 8.230 nan 0.000 0.441 155 S N -1.661 114.033 115.700 -0.011 0.000 2.503 155 S HA -0.045 4.464 4.470 0.065 0.000 0.215 155 S C 1.774 176.411 174.600 0.062 0.000 1.003 155 S CA -0.030 58.181 58.200 0.017 0.000 0.910 155 S CB 0.241 63.449 63.200 0.014 0.000 0.790 155 S HN 0.341 nan 8.310 nan 0.000 0.514 156 Q N 1.900 121.747 119.800 0.079 0.000 2.112 156 Q HA -0.197 4.182 4.340 0.065 0.000 0.206 156 Q C 1.870 177.933 176.000 0.104 0.000 0.987 156 Q CA 1.107 56.991 55.803 0.135 0.000 0.858 156 Q CB -0.272 28.546 28.738 0.133 0.000 0.905 156 Q HN 0.430 nan 8.270 nan 0.000 0.420 157 N N 0.480 119.219 118.700 0.064 0.000 2.137 157 N HA -0.226 4.552 4.740 0.065 0.000 0.190 157 N C 1.855 177.395 175.510 0.050 0.000 1.017 157 N CA 1.654 54.733 53.050 0.047 0.000 0.859 157 N CB -0.167 38.333 38.487 0.022 0.000 1.002 157 N HN 0.454 nan 8.380 nan 0.000 0.428 158 Q N 0.897 120.725 119.800 0.048 0.000 2.079 158 Q HA -0.089 4.290 4.340 0.065 0.000 0.200 158 Q C 2.099 178.131 176.000 0.053 0.000 0.974 158 Q CA 1.542 57.369 55.803 0.041 0.000 0.840 158 Q CB -0.740 28.016 28.738 0.030 0.000 0.898 158 Q HN 0.253 nan 8.270 nan 0.000 0.430 159 V N 0.497 120.453 119.914 0.070 0.000 2.379 159 V HA -0.227 3.932 4.120 0.065 0.000 0.245 159 V C 2.418 178.563 176.094 0.085 0.000 1.044 159 V CA 2.347 64.687 62.300 0.068 0.000 1.036 159 V CB -0.432 31.431 31.823 0.068 0.000 0.664 159 V HN 0.338 nan 8.190 nan 0.000 0.453 160 Q N 0.477 120.345 119.800 0.113 0.000 2.096 160 Q HA -0.157 4.221 4.340 0.065 0.000 0.204 160 Q C 2.242 178.385 176.000 0.239 0.000 0.982 160 Q CA 2.866 58.774 55.803 0.175 0.000 0.850 160 Q CB -0.905 27.927 28.738 0.158 0.000 0.901 160 Q HN 0.728 nan 8.270 nan 0.000 0.422 161 T N -0.115 114.514 114.554 0.125 0.000 2.821 161 T HA -0.090 4.299 4.350 0.065 0.000 0.267 161 T C 1.642 176.404 174.700 0.104 0.000 1.046 161 T CA 1.180 63.336 62.100 0.092 0.000 1.139 161 T CB -0.417 68.472 68.868 0.035 0.000 0.871 161 T HN 0.437 nan 8.240 nan 0.000 0.454 162 A N 1.033 123.899 122.820 0.076 0.000 1.898 162 A HA 0.075 4.434 4.320 0.065 0.000 0.216 162 A C 2.287 179.901 177.584 0.051 0.000 1.181 162 A CA 1.027 53.092 52.037 0.047 0.000 0.620 162 A CB -0.797 18.218 19.000 0.026 0.000 0.819 162 A HN 0.448 nan 8.150 nan 0.000 0.442 163 L N -1.474 119.786 121.223 0.062 0.000 2.046 163 L HA -0.227 4.152 4.340 0.065 0.000 0.208 163 L C 2.583 179.445 176.870 -0.012 0.000 1.077 163 L CA 1.726 56.572 54.840 0.009 0.000 0.747 163 L CB -0.574 41.467 42.059 -0.030 0.000 0.896 163 L HN 0.495 nan 8.230 nan 0.000 0.432 164 H N -1.477 117.607 119.070 0.023 0.000 2.387 164 H HA -0.171 4.425 4.556 0.066 0.000 0.299 164 H C 2.274 177.612 175.328 0.017 0.000 1.090 164 H CA 1.405 57.468 56.048 0.025 0.000 1.332 164 H CB 0.023 29.797 29.762 0.019 0.000 1.386 164 H HN 0.095 nan 8.280 nan 0.000 0.516 165 R N 0.564 121.134 120.500 0.117 0.000 2.062 165 R HA -0.093 4.286 4.340 0.065 0.000 0.231 165 R C 2.028 178.327 176.300 -0.002 0.000 1.136 165 R CA 1.009 57.136 56.100 0.046 0.000 0.948 165 R CB -0.802 29.512 30.300 0.023 0.000 0.845 165 R HN 0.292 nan 8.270 nan 0.000 0.430 166 L N 0.529 121.743 121.223 -0.016 0.000 2.046 166 L HA -0.043 4.335 4.340 0.065 0.000 0.208 166 L C 2.062 178.932 176.870 0.001 0.000 1.077 166 L CA 1.683 56.478 54.840 -0.075 0.000 0.747 166 L CB -0.586 41.456 42.059 -0.029 0.000 0.896 166 L HN 0.349 nan 8.230 nan 0.000 0.432 167 I N -0.485 120.134 120.570 0.082 0.000 2.151 167 I HA -0.368 3.841 4.170 0.065 0.000 0.243 167 I C 2.535 178.727 176.117 0.126 0.000 1.080 167 I CA 1.448 62.828 61.300 0.134 0.000 1.339 167 I CB -0.559 37.459 38.000 0.029 0.000 1.039 167 I HN 0.372 nan 8.210 nan 0.000 0.409 168 A N 0.343 123.205 122.820 0.070 0.000 1.930 168 A HA -0.116 4.243 4.320 0.065 0.000 0.217 168 A C 2.495 180.100 177.584 0.034 0.000 1.175 168 A CA 1.733 53.805 52.037 0.057 0.000 0.627 168 A CB -0.747 18.281 19.000 0.047 0.000 0.815 168 A HN 0.446 nan 8.150 nan 0.000 0.443 169 A N -1.063 121.738 122.820 -0.031 0.000 1.897 169 A HA 0.096 4.454 4.320 0.065 0.000 0.215 169 A C 1.901 179.474 177.584 -0.017 0.000 1.181 169 A CA 1.392 53.374 52.037 -0.091 0.000 0.620 169 A CB -0.683 18.181 19.000 -0.226 0.000 0.821 169 A HN 0.408 nan 8.150 nan 0.000 0.443 170 F N 0.326 120.344 119.950 0.113 0.000 2.102 170 F HA -0.108 4.455 4.527 0.061 0.000 0.298 170 F C 2.390 178.286 175.800 0.160 0.000 1.105 170 F CA 1.569 59.680 58.000 0.185 0.000 1.239 170 F CB -0.835 38.258 39.000 0.156 0.000 0.991 170 F HN 0.309 nan 8.300 nan 0.000 0.474 171 E N -0.110 120.253 120.200 0.272 0.000 2.097 171 E HA -0.242 4.147 4.350 0.065 0.000 0.196 171 E C 2.372 179.031 176.600 0.097 0.000 1.000 171 E CA 1.249 57.744 56.400 0.159 0.000 0.804 171 E CB -0.359 29.405 29.700 0.107 0.000 0.740 171 E HN 0.354 nan 8.360 nan 0.000 0.454 172 A N 1.090 123.948 122.820 0.063 0.000 1.969 172 A HA -0.165 4.194 4.320 0.065 0.000 0.218 172 A C 1.897 179.422 177.584 -0.098 0.000 1.169 172 A CA 1.122 53.152 52.037 -0.013 0.000 0.635 172 A CB -0.117 18.869 19.000 -0.023 0.000 0.810 172 A HN -0.026 nan 8.150 nan 0.000 0.445 173 K N -0.411 119.950 120.400 -0.065 0.000 2.155 173 K HA -0.034 4.324 4.320 0.065 0.000 0.203 173 K C 2.101 178.519 176.600 -0.302 0.000 1.052 173 K CA 1.019 57.106 56.287 -0.333 0.000 0.948 173 K CB -0.882 31.605 32.500 -0.020 0.000 0.728 173 K HN 0.449 nan 8.250 nan 0.000 0.448 174 G N 1.679 110.510 108.800 0.051 0.000 2.446 174 G HA2 -0.286 3.713 3.960 0.065 0.000 0.217 174 G HA3 -0.286 3.713 3.960 0.065 0.000 0.217 174 G C 1.717 176.621 174.900 0.007 0.000 1.168 174 G CA 0.595 45.748 45.100 0.089 0.000 0.771 174 G HN 0.278 nan 8.290 nan 0.000 0.551 175 R N -0.005 120.475 120.500 -0.033 0.000 2.075 175 R HA 0.008 4.387 4.340 0.065 0.000 0.232 175 R C 2.515 178.770 176.300 -0.076 0.000 1.126 175 R CA 1.278 57.358 56.100 -0.034 0.000 0.963 175 R CB -0.291 29.989 30.300 -0.033 0.000 0.858 175 R HN 0.538 nan 8.270 nan 0.000 0.435 176 E N 0.060 120.129 120.200 -0.218 0.000 2.150 176 E HA -0.141 4.248 4.350 0.065 0.000 0.193 176 E C 0.379 176.905 176.600 -0.123 0.000 0.985 176 E CA 0.880 57.122 56.400 -0.264 0.000 0.814 176 E CB 0.179 29.576 29.700 -0.504 0.000 0.752 176 E HN 0.192 nan 8.360 nan 0.000 0.466 177 F N 0.005 119.918 119.950 -0.062 0.000 2.645 177 F HA 0.406 4.971 4.527 0.063 0.000 0.300 177 F C 1.642 177.431 175.800 -0.019 0.000 1.115 177 F CA -0.119 57.832 58.000 -0.082 0.000 1.355 177 F CB -0.453 38.426 39.000 -0.201 0.000 1.026 177 F HN 0.033 nan 8.300 nan 0.000 0.536 178 A N 0.284 123.193 122.820 0.149 0.000 1.986 178 A HA -0.228 4.131 4.320 0.065 0.000 0.220 178 A C 2.119 179.837 177.584 0.224 0.000 1.171 178 A CA 2.442 54.582 52.037 0.172 0.000 0.640 178 A CB -1.005 18.065 19.000 0.118 0.000 0.811 178 A HN 0.375 nan 8.150 nan 0.000 0.451 179 T N -3.708 110.947 114.554 0.168 0.000 3.132 179 T HA 0.406 4.794 4.350 0.065 0.000 0.274 179 T C -0.054 174.705 174.700 0.098 0.000 1.011 179 T CA 0.048 62.243 62.100 0.159 0.000 0.899 179 T CB -0.106 68.831 68.868 0.115 0.000 1.089 179 T HN -0.004 nan 8.240 nan 0.000 0.543 180 V N 3.060 123.020 119.914 0.077 0.000 2.352 180 V HA 0.344 4.502 4.120 0.065 0.000 0.253 180 V C 0.444 176.525 176.094 -0.021 0.000 1.083 180 V CA -0.947 61.356 62.300 0.006 0.000 0.993 180 V CB -0.762 31.023 31.823 -0.064 0.000 1.111 180 V HN 0.511 nan 8.190 nan 0.000 0.490 181 I N 6.434 126.995 120.570 -0.016 0.000 2.634 181 I HA 0.434 4.642 4.170 0.065 0.000 0.284 181 I C 0.257 176.346 176.117 -0.047 0.000 1.124 181 I CA 0.305 61.586 61.300 -0.031 0.000 1.417 181 I CB 0.586 38.578 38.000 -0.014 0.000 1.396 181 I HN 0.811 nan 8.210 nan 0.000 0.571 182 K N 5.585 125.951 120.400 -0.057 0.000 2.466 182 K HA 0.609 4.967 4.320 0.065 0.000 0.277 182 K C -1.360 175.213 176.600 -0.046 0.000 1.039 182 K CA -0.914 55.343 56.287 -0.050 0.000 0.904 182 K CB 0.643 33.112 32.500 -0.051 0.000 1.506 182 K HN 0.306 nan 8.250 nan 0.000 0.441 183 I N 1.556 122.105 120.570 -0.035 0.000 2.342 183 I HA 0.388 4.597 4.170 0.065 0.000 0.291 183 I C 0.175 176.275 176.117 -0.029 0.000 1.010 183 I CA -0.006 61.275 61.300 -0.031 0.000 1.308 183 I CB 0.951 38.937 38.000 -0.023 0.000 1.400 183 I HN 0.740 nan 8.210 nan 0.000 0.488 184 G N 7.007 115.786 108.800 -0.035 0.000 2.539 184 G HA2 0.488 4.486 3.960 0.065 0.000 0.258 184 G HA3 0.488 4.486 3.960 0.065 0.000 0.258 184 G C -0.505 174.384 174.900 -0.019 0.000 1.202 184 G CA -0.602 44.480 45.100 -0.031 0.000 0.851 184 G HN 0.632 nan 8.290 nan 0.000 0.556 185 R N -0.209 120.284 120.500 -0.011 0.000 2.575 185 R HA 0.536 4.915 4.340 0.065 0.000 0.293 185 R C -0.718 175.580 176.300 -0.003 0.000 0.983 185 R CA -0.649 55.449 56.100 -0.005 0.000 0.887 185 R CB 2.228 32.530 30.300 0.003 0.000 1.184 185 R HN 0.699 nan 8.270 nan 0.000 0.445 186 T N -0.610 113.942 114.554 -0.004 0.000 2.824 186 T HA 0.215 4.604 4.350 0.065 0.000 0.282 186 T C 0.040 174.740 174.700 0.000 0.000 0.993 186 T CA -0.977 61.122 62.100 -0.002 0.000 0.967 186 T CB 1.653 70.518 68.868 -0.005 0.000 0.960 186 T HN 0.701 nan 8.240 nan 0.000 0.441 187 Q N 1.747 121.548 119.800 0.002 0.000 2.408 187 Q HA -0.217 4.162 4.340 0.065 0.000 0.290 187 Q C 0.514 176.516 176.000 0.004 0.000 1.221 187 Q CA 0.640 56.445 55.803 0.003 0.000 0.895 187 Q CB -1.966 26.774 28.738 0.002 0.000 1.241 187 Q HN 0.866 nan 8.270 nan 0.000 0.494 188 L N -3.282 117.945 121.223 0.006 0.000 4.625 188 L HA -0.310 4.069 4.340 0.065 0.000 0.428 188 L C 0.144 177.016 176.870 0.003 0.000 1.129 188 L CA 1.008 55.851 54.840 0.006 0.000 0.978 188 L CB -1.222 40.842 42.059 0.008 0.000 2.043 188 L HN 0.391 nan 8.230 nan 0.000 0.847 189 Q N 0.954 120.755 119.800 0.001 0.000 2.241 189 Q HA 0.295 4.674 4.340 0.065 0.000 0.254 189 Q C -0.103 175.895 176.000 -0.003 0.000 0.917 189 Q CA -0.536 55.267 55.803 -0.001 0.000 0.919 189 Q CB 1.305 30.042 28.738 -0.001 0.000 1.237 189 Q HN 0.041 nan 8.270 nan 0.000 0.434 190 D N 1.462 121.859 120.400 -0.005 0.000 2.586 190 D HA 0.054 4.733 4.640 0.065 0.000 0.234 190 D C 0.173 176.467 176.300 -0.010 0.000 1.132 190 D CA 0.438 54.433 54.000 -0.008 0.000 0.860 190 D CB 0.767 41.562 40.800 -0.009 0.000 1.159 190 D HN 0.599 nan 8.370 nan 0.000 0.490 191 A N 2.750 125.562 122.820 -0.013 0.000 2.939 191 A HA 0.605 4.963 4.320 0.065 0.000 0.207 191 A C 0.231 177.804 177.584 -0.018 0.000 1.881 191 A CA 0.225 52.253 52.037 -0.014 0.000 1.796 191 A CB 0.025 19.016 19.000 -0.015 0.000 1.411 191 A HN 0.472 nan 8.150 nan 0.000 0.422 192 V N -3.400 116.499 119.914 -0.025 0.000 3.113 192 V HA 0.703 4.862 4.120 0.065 0.000 0.316 192 V C -3.183 172.886 176.094 -0.043 0.000 1.125 192 V CA -2.707 59.575 62.300 -0.030 0.000 1.026 192 V CB 1.150 32.956 31.823 -0.028 0.000 1.080 192 V HN 0.405 nan 8.190 nan 0.000 0.444 193 P HA 0.574 nan 4.420 nan 0.000 0.272 193 P C -0.704 176.534 177.300 -0.103 0.000 1.223 193 P CA 0.060 63.121 63.100 -0.065 0.000 0.784 193 P CB 0.702 32.369 31.700 -0.055 0.000 0.923 194 I N 0.052 120.550 120.570 -0.120 0.000 2.908 194 I HA 0.355 4.563 4.170 0.065 0.000 0.300 194 I C -0.882 175.137 176.117 -0.163 0.000 1.385 194 I CA -0.635 60.561 61.300 -0.173 0.000 1.004 194 I CB 2.219 40.139 38.000 -0.133 0.000 1.309 194 I HN 0.335 nan 8.210 nan 0.000 0.449 195 T N 3.478 117.900 114.554 -0.220 0.000 2.889 195 T HA 0.238 4.627 4.350 0.065 0.000 0.291 195 T C 0.926 175.591 174.700 -0.058 0.000 0.995 195 T CA -0.640 61.386 62.100 -0.123 0.000 1.092 195 T CB 1.614 70.422 68.868 -0.099 0.000 0.954 195 T HN 0.598 nan 8.240 nan 0.000 0.506 196 L N 3.223 124.428 121.223 -0.029 0.000 2.081 196 L HA 0.076 4.455 4.340 0.065 0.000 0.212 196 L C 2.512 179.441 176.870 0.098 0.000 1.080 196 L CA 2.523 57.361 54.840 -0.003 0.000 0.754 196 L CB -1.314 40.654 42.059 -0.152 0.000 0.893 196 L HN 1.002 nan 8.230 nan 0.000 0.433 197 G N -1.833 107.045 108.800 0.130 0.000 2.422 197 G HA2 -0.293 3.706 3.960 0.065 0.000 0.218 197 G HA3 -0.293 3.706 3.960 0.065 0.000 0.218 197 G C 1.479 176.445 174.900 0.109 0.000 1.146 197 G CA 0.765 45.956 45.100 0.152 0.000 0.769 197 G HN 0.522 nan 8.290 nan 0.000 0.547 198 Q N -0.303 119.518 119.800 0.036 0.000 2.050 198 Q HA -0.107 4.272 4.340 0.065 0.000 0.202 198 Q C 2.435 178.378 176.000 -0.094 0.000 0.980 198 Q CA 1.474 57.257 55.803 -0.033 0.000 0.840 198 Q CB -0.161 28.507 28.738 -0.118 0.000 0.898 198 Q HN 0.666 nan 8.270 nan 0.000 0.424 199 E N -0.237 119.911 120.200 -0.087 0.000 2.058 199 E HA -0.204 4.185 4.350 0.065 0.000 0.194 199 E C 1.580 177.856 176.600 -0.540 0.000 0.997 199 E CA 1.094 57.351 56.400 -0.238 0.000 0.801 199 E CB 0.006 29.669 29.700 -0.061 0.000 0.746 199 E HN 0.230 nan 8.360 nan 0.000 0.450 200 F N 0.983 120.695 119.950 -0.396 0.000 2.146 200 F HA -0.079 4.489 4.527 0.070 0.000 0.298 200 F C 2.423 178.081 175.800 -0.237 0.000 1.096 200 F CA 1.366 59.204 58.000 -0.269 0.000 1.275 200 F CB -0.593 38.526 39.000 0.198 0.000 1.008 200 F HN 0.075 nan 8.300 nan 0.000 0.480 201 E N 0.606 120.824 120.200 0.030 0.000 2.160 201 E HA -0.185 4.204 4.350 0.065 0.000 0.195 201 E C 2.138 178.676 176.600 -0.104 0.000 0.991 201 E CA 1.309 57.711 56.400 0.004 0.000 0.810 201 E CB -0.411 29.310 29.700 0.034 0.000 0.742 201 E HN 0.243 nan 8.360 nan 0.000 0.466 202 A N -0.238 122.433 122.820 -0.248 0.000 1.933 202 A HA -0.126 4.233 4.320 0.065 0.000 0.218 202 A C 1.907 179.360 177.584 -0.217 0.000 1.175 202 A CA 1.417 53.303 52.037 -0.250 0.000 0.628 202 A CB -0.841 17.970 19.000 -0.315 0.000 0.814 202 A HN 0.328 nan 8.150 nan 0.000 0.444 203 F N 0.339 120.073 119.950 -0.360 0.000 2.102 203 F HA -0.105 4.464 4.527 0.070 0.000 0.298 203 F C 2.845 178.430 175.800 -0.358 0.000 1.105 203 F CA 0.429 58.054 58.000 -0.625 0.000 1.239 203 F CB -1.358 36.673 39.000 -1.614 0.000 0.991 203 F HN 0.267 nan 8.300 nan 0.000 0.474 204 A N 0.276 123.085 122.820 -0.019 0.000 1.865 204 A HA -0.086 4.272 4.320 0.065 0.000 0.217 204 A C 2.500 180.106 177.584 0.036 0.000 1.191 204 A CA 2.284 54.385 52.037 0.107 0.000 0.623 204 A CB -1.426 17.666 19.000 0.154 0.000 0.826 204 A HN 0.316 nan 8.150 nan 0.000 0.444 205 A N -1.655 121.166 122.820 0.001 0.000 1.917 205 A HA -0.183 4.176 4.320 0.065 0.000 0.219 205 A C 2.374 179.951 177.584 -0.013 0.000 1.182 205 A CA 2.594 54.627 52.037 -0.008 0.000 0.633 205 A CB -1.353 17.636 19.000 -0.019 0.000 0.819 205 A HN 0.459 nan 8.150 nan 0.000 0.448 206 T N -0.393 114.152 114.554 -0.016 0.000 2.821 206 T HA -0.005 4.384 4.350 0.065 0.000 0.267 206 T C 1.698 176.388 174.700 -0.017 0.000 1.046 206 T CA 1.391 63.482 62.100 -0.016 0.000 1.139 206 T CB -0.392 68.469 68.868 -0.011 0.000 0.871 206 T HN 0.386 nan 8.240 nan 0.000 0.454 207 L N 0.192 121.410 121.223 -0.008 0.000 2.201 207 L HA 0.047 4.426 4.340 0.065 0.000 0.212 207 L C 2.849 179.692 176.870 -0.045 0.000 1.105 207 L CA 0.951 55.783 54.840 -0.014 0.000 0.775 207 L CB -0.426 41.649 42.059 0.026 0.000 0.913 207 L HN 0.112 nan 8.230 nan 0.000 0.440 208 R N 0.395 120.872 120.500 -0.040 0.000 2.081 208 R HA -0.178 4.201 4.340 0.065 0.000 0.235 208 R C 2.163 178.437 176.300 -0.044 0.000 1.131 208 R CA 1.566 57.631 56.100 -0.059 0.000 0.960 208 R CB -0.309 29.972 30.300 -0.031 0.000 0.856 208 R HN 0.459 nan 8.270 nan 0.000 0.436 209 E N 0.479 120.661 120.200 -0.030 0.000 2.086 209 E HA -0.225 4.164 4.350 0.065 0.000 0.200 209 E C 1.571 178.153 176.600 -0.030 0.000 1.012 209 E CA 1.680 58.065 56.400 -0.025 0.000 0.812 209 E CB -0.097 29.590 29.700 -0.022 0.000 0.743 209 E HN 0.344 nan 8.360 nan 0.000 0.453 210 D N -0.188 120.190 120.400 -0.038 0.000 2.117 210 D HA -0.140 4.538 4.640 0.065 0.000 0.198 210 D C 2.254 178.532 176.300 -0.037 0.000 0.982 210 D CA 1.918 55.893 54.000 -0.042 0.000 0.828 210 D CB -0.778 39.995 40.800 -0.046 0.000 0.967 210 D HN 0.317 nan 8.370 nan 0.000 0.464 211 T N -0.596 113.927 114.554 -0.051 0.000 2.699 211 T HA -0.154 4.235 4.350 0.065 0.000 0.268 211 T C 2.099 176.805 174.700 0.011 0.000 1.036 211 T CA 1.816 63.899 62.100 -0.028 0.000 1.147 211 T CB -0.452 68.358 68.868 -0.097 0.000 0.862 211 T HN 0.117 nan 8.240 nan 0.000 0.446 212 A N 1.676 124.496 122.820 -0.001 0.000 1.898 212 A HA 0.080 4.439 4.320 0.065 0.000 0.216 212 A C 2.527 180.114 177.584 0.005 0.000 1.181 212 A CA 1.379 53.421 52.037 0.009 0.000 0.620 212 A CB -0.598 18.404 19.000 0.003 0.000 0.819 212 A HN 0.362 nan 8.150 nan 0.000 0.442 213 R N -0.769 119.726 120.500 -0.008 0.000 2.092 213 R HA -0.027 4.352 4.340 0.065 0.000 0.231 213 R C 1.973 178.269 176.300 -0.007 0.000 1.119 213 R CA 1.234 57.326 56.100 -0.014 0.000 0.970 213 R CB -1.012 29.272 30.300 -0.027 0.000 0.864 213 R HN 0.545 nan 8.270 nan 0.000 0.440 214 L N 0.758 121.981 121.223 0.001 0.000 2.027 214 L HA -0.065 4.314 4.340 0.065 0.000 0.206 214 L C 2.041 178.970 176.870 0.097 0.000 1.074 214 L CA 1.875 56.735 54.840 0.032 0.000 0.745 214 L CB -0.566 41.506 42.059 0.023 0.000 0.898 214 L HN 0.253 nan 8.230 nan 0.000 0.433 215 E N -0.322 119.922 120.200 0.073 0.000 2.070 215 E HA -0.313 4.075 4.350 0.065 0.000 0.197 215 E C 2.000 178.624 176.600 0.039 0.000 1.004 215 E CA 1.792 58.233 56.400 0.068 0.000 0.805 215 E CB -0.160 29.573 29.700 0.055 0.000 0.744 215 E HN 0.813 nan 8.360 nan 0.000 0.451 216 E N -0.426 119.784 120.200 0.018 0.000 2.230 216 E HA -0.084 4.304 4.350 0.065 0.000 0.192 216 E C 2.046 178.623 176.600 -0.038 0.000 0.987 216 E CA 0.833 57.227 56.400 -0.011 0.000 0.841 216 E CB 0.133 29.825 29.700 -0.013 0.000 0.783 216 E HN 0.142 nan 8.360 nan 0.000 0.481 217 V N 1.740 121.643 119.914 -0.019 0.000 2.407 217 V HA -0.115 4.044 4.120 0.065 0.000 0.245 217 V C 2.593 178.607 176.094 -0.134 0.000 1.041 217 V CA 1.587 63.856 62.300 -0.051 0.000 1.040 217 V CB -0.382 31.453 31.823 0.020 0.000 0.671 217 V HN 0.460 nan 8.190 nan 0.000 0.455 218 A N 0.223 123.048 122.820 0.010 0.000 2.019 218 A HA -0.097 4.261 4.320 0.065 0.000 0.219 218 A C 2.341 179.824 177.584 -0.168 0.000 1.164 218 A CA 1.776 53.761 52.037 -0.085 0.000 0.644 218 A CB -0.616 18.464 19.000 0.133 0.000 0.805 218 A HN 0.570 nan 8.150 nan 0.000 0.449 219 A N -0.182 122.571 122.820 -0.111 0.000 2.125 219 A HA 0.024 4.383 4.320 0.065 0.000 0.219 219 A C 1.976 179.471 177.584 -0.147 0.000 1.156 219 A CA 1.210 53.191 52.037 -0.092 0.000 0.671 219 A CB -0.570 18.395 19.000 -0.058 0.000 0.794 219 A HN 0.520 nan 8.150 nan 0.000 0.459 220 L N -1.937 119.118 121.223 -0.280 0.000 2.201 220 L HA -0.128 4.250 4.340 0.065 0.000 0.212 220 L C 1.888 178.616 176.870 -0.236 0.000 1.105 220 L CA 0.811 55.471 54.840 -0.299 0.000 0.775 220 L CB -0.646 41.170 42.059 -0.406 0.000 0.913 220 L HN 0.318 nan 8.230 nan 0.000 0.440 221 F N 0.496 120.352 119.950 -0.156 0.000 2.546 221 F HA -0.061 4.504 4.527 0.063 0.000 0.298 221 F C 2.452 178.174 175.800 -0.129 0.000 1.120 221 F CA 0.546 58.438 58.000 -0.180 0.000 1.456 221 F CB -0.721 38.149 39.000 -0.217 0.000 1.088 221 F HN 0.019 nan 8.300 nan 0.000 0.572 222 R N 0.389 120.918 120.500 0.047 0.000 2.235 222 R HA -0.047 4.332 4.340 0.065 0.000 0.213 222 R C 0.313 176.609 176.300 -0.007 0.000 1.059 222 R CA 0.399 56.505 56.100 0.012 0.000 0.997 222 R CB -0.388 29.905 30.300 -0.011 0.000 0.884 222 R HN 0.342 nan 8.270 nan 0.000 0.462 223 E N 1.964 122.156 120.200 -0.014 0.000 2.052 223 E HA 0.116 4.505 4.350 0.065 0.000 0.283 223 E C -0.496 176.090 176.600 -0.023 0.000 1.071 223 E CA -0.244 56.138 56.400 -0.030 0.000 0.851 223 E CB 1.140 30.809 29.700 -0.051 0.000 1.066 223 E HN -0.032 nan 8.360 nan 0.000 0.396 224 V N 1.367 121.267 119.914 -0.024 0.000 2.919 224 V HA 0.404 4.563 4.120 0.065 0.000 0.316 224 V C 0.344 176.426 176.094 -0.019 0.000 1.077 224 V CA -0.982 61.306 62.300 -0.020 0.000 0.977 224 V CB 1.992 33.802 31.823 -0.021 0.000 1.039 224 V HN 0.644 nan 8.190 nan 0.000 0.441 225 N N 1.644 120.339 118.700 -0.008 0.000 2.238 225 N HA 0.119 4.898 4.740 0.065 0.000 0.222 225 N C 0.014 175.536 175.510 0.021 0.000 1.133 225 N CA -0.405 52.646 53.050 0.001 0.000 0.854 225 N CB 0.258 38.746 38.487 0.001 0.000 1.041 225 N HN 0.711 nan 8.380 nan 0.000 0.510 226 L N 1.326 122.558 121.223 0.015 0.000 2.628 226 L HA 0.286 4.665 4.340 0.065 0.000 0.274 226 L C 1.266 178.169 176.870 0.055 0.000 1.209 226 L CA 1.625 56.486 54.840 0.034 0.000 0.930 226 L CB -0.437 41.623 42.059 0.000 0.000 1.183 226 L HN 0.593 nan 8.230 nan 0.000 0.492 227 G N 2.814 111.692 108.800 0.129 0.000 2.195 227 G HA2 -0.230 3.769 3.960 0.065 0.000 0.224 227 G HA3 -0.230 3.769 3.960 0.065 0.000 0.224 227 G C 0.818 175.790 174.900 0.121 0.000 0.990 227 G CA 0.233 45.443 45.100 0.182 0.000 0.639 227 G HN 1.239 nan 8.290 nan 0.000 0.514 228 G N 0.246 109.096 108.800 0.083 0.000 2.712 228 G HA2 0.436 4.435 3.960 0.065 0.000 0.212 228 G HA3 0.436 4.435 3.960 0.065 0.000 0.212 228 G C 1.449 176.386 174.900 0.063 0.000 1.142 228 G CA 2.378 47.516 45.100 0.063 0.000 0.789 228 G HN 2.133 nan 8.290 nan 0.000 0.535 229 T N -1.331 113.265 114.554 0.071 0.000 14.138 229 T HA -0.421 3.968 4.350 0.065 0.000 0.419 229 T C 2.005 176.737 174.700 0.053 0.000 1.441 229 T CA 2.224 64.359 62.100 0.058 0.000 2.333 229 T CB -1.496 67.396 68.868 0.041 0.000 2.759 229 T HN 1.306 nan 8.240 nan 0.000 0.267 230 A N 2.093 124.939 122.820 0.043 0.000 1.865 230 A HA 0.291 4.650 4.320 0.065 0.000 0.217 230 A C 2.616 180.232 177.584 0.054 0.000 1.191 230 A CA 3.255 55.317 52.037 0.042 0.000 0.623 230 A CB -0.881 18.138 19.000 0.032 0.000 0.826 230 A HN 1.758 nan 8.150 nan 0.000 0.444 231 I N -6.991 113.614 120.570 0.058 0.000 4.390 231 I HA 0.576 4.784 4.170 0.065 0.000 0.334 231 I C 0.889 177.052 176.117 0.076 0.000 1.379 231 I CA 0.485 61.831 61.300 0.077 0.000 1.197 231 I CB 0.662 38.709 38.000 0.078 0.000 1.396 231 I HN 0.523 nan 8.210 nan 0.000 0.511 232 G N 2.124 110.958 108.800 0.057 0.000 2.179 232 G HA2 -0.317 3.682 3.960 0.065 0.000 0.220 232 G HA3 -0.317 3.682 3.960 0.065 0.000 0.220 232 G C 0.879 175.806 174.900 0.045 0.000 0.990 232 G CA 0.576 45.703 45.100 0.045 0.000 0.646 232 G HN 0.540 nan 8.290 nan 0.000 0.517 233 T N -1.961 112.621 114.554 0.048 0.000 3.088 233 T HA 0.269 4.658 4.350 0.065 0.000 0.259 233 T C 1.549 176.275 174.700 0.044 0.000 1.122 233 T CA 1.323 63.448 62.100 0.043 0.000 1.095 233 T CB -0.138 68.753 68.868 0.039 0.000 0.930 233 T HN 0.927 nan 8.240 nan 0.000 0.508 234 R N -0.731 119.799 120.500 0.049 0.000 3.922 234 R HA -0.124 4.255 4.340 0.065 0.000 0.447 234 R C 0.340 176.667 176.300 0.044 0.000 1.035 234 R CA 0.770 56.905 56.100 0.058 0.000 1.289 234 R CB -2.636 27.706 30.300 0.070 0.000 1.906 234 R HN 0.581 nan 8.270 nan 0.000 0.540 235 I N 2.124 122.713 120.570 0.032 0.000 2.906 235 I HA -0.222 3.986 4.170 0.065 0.000 0.302 235 I C 0.425 176.545 176.117 0.005 0.000 1.220 235 I CA 1.291 62.601 61.300 0.018 0.000 1.441 235 I CB 0.219 38.228 38.000 0.014 0.000 1.336 235 I HN 0.412 nan 8.210 nan 0.000 0.565 236 N N 2.822 121.517 118.700 -0.009 0.000 2.972 236 N HA -0.194 4.585 4.740 0.065 0.000 0.225 236 N C -0.464 174.998 175.510 -0.079 0.000 0.883 236 N CA 1.369 54.395 53.050 -0.040 0.000 1.010 236 N CB -1.126 37.333 38.487 -0.046 0.000 1.052 236 N HN 0.691 nan 8.380 nan 0.000 0.598 237 A N 0.579 123.377 122.820 -0.036 0.000 2.291 237 A HA 0.645 5.003 4.320 0.065 0.000 0.311 237 A C 0.587 178.228 177.584 0.095 0.000 1.224 237 A CA 0.143 52.160 52.037 -0.033 0.000 0.821 237 A CB 0.811 19.850 19.000 0.066 0.000 1.172 237 A HN 0.404 nan 8.150 nan 0.000 0.494 238 S N 1.724 117.488 115.700 0.106 0.000 2.573 238 S HA 0.056 4.565 4.470 0.065 0.000 0.277 238 S C 1.076 175.800 174.600 0.206 0.000 1.346 238 S CA 0.724 59.012 58.200 0.147 0.000 1.034 238 S CB 0.250 63.523 63.200 0.123 0.000 0.879 238 S HN 0.940 nan 8.310 nan 0.000 0.528 239 H N 2.720 121.837 119.070 0.078 0.000 2.321 239 H HA -0.139 4.456 4.556 0.065 0.000 0.295 239 H C 2.084 177.441 175.328 0.049 0.000 1.102 239 H CA 2.686 58.767 56.048 0.055 0.000 1.266 239 H CB -0.799 28.981 29.762 0.031 0.000 1.363 239 H HN 0.799 nan 8.280 nan 0.000 0.492 240 A N -0.242 122.595 122.820 0.028 0.000 1.898 240 A HA -0.181 4.178 4.320 0.065 0.000 0.216 240 A C 2.381 179.945 177.584 -0.034 0.000 1.181 240 A CA 1.493 53.503 52.037 -0.045 0.000 0.620 240 A CB -1.370 17.651 19.000 0.035 0.000 0.819 240 A HN 0.740 nan 8.150 nan 0.000 0.442 241 Y N 0.728 121.003 120.300 -0.041 0.000 2.128 241 Y HA -0.112 4.477 4.550 0.064 0.000 0.284 241 Y C 2.542 178.418 175.900 -0.040 0.000 1.154 241 Y CA 1.478 59.561 58.100 -0.028 0.000 1.149 241 Y CB -0.614 37.844 38.460 -0.004 0.000 0.976 241 Y HN 0.292 nan 8.280 nan 0.000 0.505 242 A N 0.512 123.201 122.820 -0.218 0.000 1.858 242 A HA -0.212 4.147 4.320 0.065 0.000 0.216 242 A C 2.137 179.545 177.584 -0.293 0.000 1.190 242 A CA 1.894 53.758 52.037 -0.289 0.000 0.617 242 A CB -0.982 17.997 19.000 -0.036 0.000 0.827 242 A HN 0.649 nan 8.150 nan 0.000 0.443 243 E N -1.186 118.851 120.200 -0.270 0.000 2.065 243 E HA -0.320 4.069 4.350 0.065 0.000 0.201 243 E C 2.329 178.809 176.600 -0.200 0.000 1.016 243 E CA 1.808 58.061 56.400 -0.245 0.000 0.818 243 E CB -0.137 29.381 29.700 -0.303 0.000 0.749 243 E HN 0.644 nan 8.360 nan 0.000 0.453 244 Q N 0.276 119.951 119.800 -0.208 0.000 2.050 244 Q HA -0.118 4.261 4.340 0.065 0.000 0.202 244 Q C 1.883 177.767 176.000 -0.193 0.000 0.980 244 Q CA 1.854 57.557 55.803 -0.168 0.000 0.840 244 Q CB -0.396 28.264 28.738 -0.130 0.000 0.898 244 Q HN 0.279 nan 8.270 nan 0.000 0.424 245 A N 0.083 122.702 122.820 -0.335 0.000 1.883 245 A HA -0.194 4.165 4.320 0.065 0.000 0.217 245 A C 2.158 179.636 177.584 -0.177 0.000 1.186 245 A CA 1.688 53.541 52.037 -0.305 0.000 0.624 245 A CB -0.853 17.813 19.000 -0.556 0.000 0.822 245 A HN 0.464 nan 8.150 nan 0.000 0.444 246 I N -0.682 119.784 120.570 -0.174 0.000 2.179 246 I HA -0.225 3.983 4.170 0.065 0.000 0.242 246 I C 2.395 178.462 176.117 -0.083 0.000 1.088 246 I CA 1.175 62.409 61.300 -0.110 0.000 1.357 246 I CB -0.262 37.677 38.000 -0.101 0.000 1.051 246 I HN 0.164 nan 8.210 nan 0.000 0.409 247 V N 0.392 120.253 119.914 -0.088 0.000 2.332 247 V HA -0.326 3.833 4.120 0.065 0.000 0.248 247 V C 2.477 178.542 176.094 -0.047 0.000 1.055 247 V CA 2.138 64.401 62.300 -0.062 0.000 1.038 247 V CB -0.527 31.259 31.823 -0.062 0.000 0.651 247 V HN 0.403 nan 8.190 nan 0.000 0.450 248 E N -0.366 119.803 120.200 -0.053 0.000 2.046 248 E HA -0.171 4.218 4.350 0.065 0.000 0.190 248 E C 1.915 178.501 176.600 -0.023 0.000 0.982 248 E CA 0.887 57.271 56.400 -0.027 0.000 0.800 248 E CB -0.389 29.299 29.700 -0.019 0.000 0.756 248 E HN 0.376 nan 8.360 nan 0.000 0.449 249 L N 0.262 121.463 121.223 -0.036 0.000 2.079 249 L HA -0.144 4.235 4.340 0.065 0.000 0.210 249 L C 2.076 178.928 176.870 -0.029 0.000 1.081 249 L CA 1.738 56.559 54.840 -0.031 0.000 0.752 249 L CB -0.821 41.214 42.059 -0.039 0.000 0.896 249 L HN 0.035 nan 8.230 nan 0.000 0.433 250 S N -0.819 114.862 115.700 -0.032 0.000 2.370 250 S HA -0.248 4.261 4.470 0.065 0.000 0.226 250 S C 1.824 176.411 174.600 -0.021 0.000 1.033 250 S CA 1.422 59.605 58.200 -0.027 0.000 1.011 250 S CB -0.375 62.807 63.200 -0.030 0.000 0.852 250 S HN 0.616 nan 8.310 nan 0.000 0.457 251 Q N 0.989 120.778 119.800 -0.018 0.000 2.079 251 Q HA -0.061 4.317 4.340 0.065 0.000 0.200 251 Q C 2.082 178.076 176.000 -0.010 0.000 0.974 251 Q CA 1.326 57.122 55.803 -0.012 0.000 0.840 251 Q CB -0.321 28.413 28.738 -0.006 0.000 0.898 251 Q HN 0.553 nan 8.270 nan 0.000 0.430 252 I N 1.208 121.772 120.570 -0.011 0.000 2.394 252 I HA -0.214 3.995 4.170 0.065 0.000 0.251 252 I C 2.368 178.474 176.117 -0.018 0.000 1.136 252 I CA 1.449 62.742 61.300 -0.012 0.000 1.425 252 I CB -0.170 37.824 38.000 -0.009 0.000 1.079 252 I HN 0.254 nan 8.210 nan 0.000 0.425 253 S N -0.388 115.299 115.700 -0.021 0.000 2.497 253 S HA 0.230 4.739 4.470 0.065 0.000 0.218 253 S C 1.627 176.214 174.600 -0.021 0.000 1.023 253 S CA 0.411 58.596 58.200 -0.024 0.000 0.913 253 S CB 0.726 63.908 63.200 -0.029 0.000 0.800 253 S HN 0.513 nan 8.310 nan 0.000 0.505 254 G N 1.344 110.134 108.800 -0.018 0.000 2.160 254 G HA2 -0.186 3.813 3.960 0.065 0.000 0.244 254 G HA3 -0.186 3.813 3.960 0.065 0.000 0.244 254 G C -0.158 174.733 174.900 -0.014 0.000 1.022 254 G CA 0.371 45.462 45.100 -0.015 0.000 0.741 254 G HN 0.616 nan 8.290 nan 0.000 0.508 255 I N -0.103 120.458 120.570 -0.016 0.000 2.499 255 I HA 0.594 4.803 4.170 0.065 0.000 0.288 255 I C 0.487 176.594 176.117 -0.017 0.000 1.048 255 I CA -0.575 60.717 61.300 -0.014 0.000 1.062 255 I CB 1.922 39.914 38.000 -0.014 0.000 1.238 255 I HN 0.214 nan 8.210 nan 0.000 0.426 256 E N 7.924 128.115 120.200 -0.015 0.000 1.985 256 E HA 0.397 4.786 4.350 0.065 0.000 0.268 256 E C -0.710 175.877 176.600 -0.020 0.000 1.219 256 E CA -0.008 56.380 56.400 -0.018 0.000 0.942 256 E CB 0.012 29.702 29.700 -0.017 0.000 1.045 256 E HN 0.505 nan 8.360 nan 0.000 0.413 257 L N 2.213 123.421 121.223 -0.024 0.000 2.343 257 L HA 0.607 4.986 4.340 0.065 0.000 0.275 257 L C 0.701 177.553 176.870 -0.031 0.000 1.056 257 L CA -0.837 53.987 54.840 -0.026 0.000 0.804 257 L CB 1.549 43.590 42.059 -0.030 0.000 1.203 257 L HN 0.686 nan 8.230 nan 0.000 0.440 258 K N 1.816 122.198 120.400 -0.030 0.000 2.477 258 K HA 0.742 5.101 4.320 0.065 0.000 0.255 258 K C -1.103 175.477 176.600 -0.033 0.000 0.952 258 K CA -0.778 55.489 56.287 -0.033 0.000 0.826 258 K CB 2.139 34.621 32.500 -0.029 0.000 1.331 258 K HN 0.539 nan 8.250 nan 0.000 0.437 259 A N 1.828 124.627 122.820 -0.034 0.000 2.511 259 A HA 0.150 4.509 4.320 0.065 0.000 0.242 259 A C 0.407 177.975 177.584 -0.028 0.000 1.069 259 A CA 0.200 52.219 52.037 -0.029 0.000 0.763 259 A CB 0.095 19.080 19.000 -0.024 0.000 1.001 259 A HN 0.768 nan 8.150 nan 0.000 0.498 260 T N 1.501 116.036 114.554 -0.032 0.000 2.856 260 T HA 0.333 4.722 4.350 0.065 0.000 0.306 260 T C 1.634 176.313 174.700 -0.036 0.000 1.062 260 T CA 0.513 62.587 62.100 -0.042 0.000 1.083 260 T CB 0.586 69.420 68.868 -0.056 0.000 0.984 260 T HN 0.888 nan 8.240 nan 0.000 0.542 261 G N 2.707 111.483 108.800 -0.041 0.000 2.421 261 G HA2 -0.026 3.972 3.960 0.065 0.000 0.217 261 G HA3 -0.026 3.972 3.960 0.065 0.000 0.217 261 G C 0.720 175.603 174.900 -0.028 0.000 1.143 261 G CA 0.157 45.239 45.100 -0.030 0.000 0.784 261 G HN 0.700 nan 8.290 nan 0.000 0.541 262 N N -0.125 118.547 118.700 -0.046 0.000 2.549 262 N HA 0.272 5.050 4.740 0.065 0.000 0.281 262 N C 0.798 176.269 175.510 -0.064 0.000 1.084 262 N CA -0.363 52.661 53.050 -0.044 0.000 0.862 262 N CB 1.599 40.056 38.487 -0.049 0.000 1.333 262 N HN -0.030 nan 8.380 nan 0.000 0.523 263 L N 2.158 123.361 121.223 -0.034 0.000 2.313 263 L HA 0.037 4.415 4.340 0.065 0.000 0.214 263 L C 1.949 178.795 176.870 -0.040 0.000 1.119 263 L CA 0.509 55.329 54.840 -0.033 0.000 0.809 263 L CB 0.091 42.151 42.059 0.003 0.000 0.933 263 L HN 0.320 nan 8.230 nan 0.000 0.449 264 V N -0.198 119.702 119.914 -0.023 0.000 2.323 264 V HA -0.221 3.938 4.120 0.065 0.000 0.244 264 V C 2.617 178.658 176.094 -0.089 0.000 1.041 264 V CA 1.750 64.058 62.300 0.014 0.000 1.025 264 V CB -0.384 31.480 31.823 0.069 0.000 0.656 264 V HN 0.487 nan 8.190 nan 0.000 0.451 265 E N 0.852 120.930 120.200 -0.203 0.000 2.118 265 E HA -0.232 4.156 4.350 0.065 0.000 0.195 265 E C 2.093 178.189 176.600 -0.839 0.000 0.992 265 E CA 1.799 57.847 56.400 -0.586 0.000 0.804 265 E CB -0.087 29.398 29.700 -0.358 0.000 0.741 265 E HN 0.528 nan 8.360 nan 0.000 0.458 266 A N 0.232 122.803 122.820 -0.415 0.000 2.072 266 A HA -0.013 4.346 4.320 0.065 0.000 0.216 266 A C 2.327 179.784 177.584 -0.211 0.000 1.156 266 A CA 1.190 53.049 52.037 -0.296 0.000 0.701 266 A CB -0.436 18.470 19.000 -0.157 0.000 0.816 266 A HN 0.286 nan 8.150 nan 0.000 0.458 267 S N -0.593 115.006 115.700 -0.168 0.000 2.383 267 S HA -0.153 4.356 4.470 0.065 0.000 0.229 267 S C 1.626 176.274 174.600 0.081 0.000 1.030 267 S CA 1.740 59.935 58.200 -0.009 0.000 1.002 267 S CB -0.361 62.883 63.200 0.072 0.000 0.829 267 S HN 0.904 nan 8.310 nan 0.000 0.467 268 W N 0.205 121.539 121.300 0.056 0.000 2.940 268 W HA 0.385 5.083 4.660 0.063 0.000 0.297 268 W C -0.203 176.369 176.519 0.087 0.000 1.149 268 W CA -0.218 57.164 57.345 0.062 0.000 1.564 268 W CB -0.783 28.703 29.460 0.044 0.000 1.010 268 W HN 0.166 nan 8.180 nan 0.000 0.578 269 D N 3.254 123.536 120.400 -0.198 0.000 2.342 269 D HA 0.037 4.716 4.640 0.065 0.000 0.260 269 D C 1.180 177.542 176.300 0.104 0.000 1.278 269 D CA 0.777 54.702 54.000 -0.125 0.000 0.910 269 D CB 1.262 41.770 40.800 -0.487 0.000 1.079 269 D HN 0.041 nan 8.370 nan 0.000 0.496 270 T N 0.245 114.962 114.554 0.271 0.000 3.206 270 T HA 0.228 4.617 4.350 0.065 0.000 0.253 270 T C 1.781 176.636 174.700 0.259 0.000 1.042 270 T CA -0.088 62.234 62.100 0.370 0.000 0.931 270 T CB 0.371 69.507 68.868 0.446 0.000 1.029 270 T HN 0.288 nan 8.240 nan 0.000 0.564 271 G N 1.491 110.363 108.800 0.120 0.000 2.432 271 G HA2 0.014 4.013 3.960 0.065 0.000 0.219 271 G HA3 0.014 4.013 3.960 0.065 0.000 0.219 271 G C 1.720 176.630 174.900 0.017 0.000 1.135 271 G CA 0.516 45.664 45.100 0.080 0.000 0.767 271 G HN 0.683 nan 8.290 nan 0.000 0.550 272 A N 0.517 123.265 122.820 -0.120 0.000 1.933 272 A HA 0.132 4.491 4.320 0.065 0.000 0.218 272 A C 2.098 179.651 177.584 -0.050 0.000 1.175 272 A CA 1.330 53.244 52.037 -0.205 0.000 0.628 272 A CB -0.481 18.317 19.000 -0.338 0.000 0.814 272 A HN 0.280 nan 8.150 nan 0.000 0.444 273 F N -0.040 120.095 119.950 0.309 0.000 2.146 273 F HA -0.118 4.447 4.527 0.063 0.000 0.298 273 F C 2.430 178.393 175.800 0.271 0.000 1.096 273 F CA 1.167 59.373 58.000 0.344 0.000 1.275 273 F CB -1.059 38.074 39.000 0.221 0.000 1.008 273 F HN 0.017 nan 8.300 nan 0.000 0.480 274 V N -0.404 119.717 119.914 0.345 0.000 2.287 274 V HA -0.317 3.842 4.120 0.065 0.000 0.248 274 V C 2.307 178.502 176.094 0.170 0.000 1.053 274 V CA 2.456 64.891 62.300 0.225 0.000 1.027 274 V CB -1.306 30.617 31.823 0.166 0.000 0.646 274 V HN 0.377 nan 8.190 nan 0.000 0.447 275 T N -0.102 114.532 114.554 0.133 0.000 2.720 275 T HA -0.203 4.186 4.350 0.065 0.000 0.268 275 T C 1.682 176.450 174.700 0.113 0.000 1.037 275 T CA 1.990 64.135 62.100 0.075 0.000 1.144 275 T CB -0.396 68.477 68.868 0.008 0.000 0.864 275 T HN 0.433 nan 8.240 nan 0.000 0.444 276 F N 1.467 121.449 119.950 0.054 0.000 2.146 276 F HA -0.027 4.541 4.527 0.069 0.000 0.298 276 F C 2.742 178.617 175.800 0.126 0.000 1.096 276 F CA 1.228 59.289 58.000 0.102 0.000 1.275 276 F CB -0.619 38.567 39.000 0.310 0.000 1.008 276 F HN 0.079 nan 8.300 nan 0.000 0.480 277 S N -0.086 115.747 115.700 0.221 0.000 2.370 277 S HA -0.149 4.359 4.470 0.065 0.000 0.226 277 S C 2.398 176.986 174.600 -0.020 0.000 1.033 277 S CA 1.579 59.832 58.200 0.089 0.000 1.011 277 S CB -1.205 62.085 63.200 0.151 0.000 0.852 277 S HN 0.545 nan 8.310 nan 0.000 0.457 278 G N 1.353 110.155 108.800 0.003 0.000 2.421 278 G HA2 -0.191 3.808 3.960 0.065 0.000 0.216 278 G HA3 -0.191 3.808 3.960 0.065 0.000 0.216 278 G C 1.402 176.259 174.900 -0.072 0.000 1.171 278 G CA 1.044 46.133 45.100 -0.019 0.000 0.775 278 G HN 0.628 nan 8.290 nan 0.000 0.543 279 I N 0.446 120.940 120.570 -0.127 0.000 2.493 279 I HA 0.008 4.217 4.170 0.065 0.000 0.254 279 I C 2.398 178.392 176.117 -0.205 0.000 1.160 279 I CA 0.858 62.061 61.300 -0.162 0.000 1.445 279 I CB -0.093 37.810 38.000 -0.161 0.000 1.086 279 I HN 0.149 nan 8.210 nan 0.000 0.433 280 L N 0.269 121.325 121.223 -0.279 0.000 1.994 280 L HA -0.173 4.206 4.340 0.065 0.000 0.208 280 L C 2.791 179.594 176.870 -0.112 0.000 1.071 280 L CA 1.416 56.128 54.840 -0.213 0.000 0.745 280 L CB -1.036 40.893 42.059 -0.217 0.000 0.892 280 L HN 0.265 nan 8.230 nan 0.000 0.431 281 R N 1.059 121.511 120.500 -0.080 0.000 2.112 281 R HA -0.250 4.129 4.340 0.065 0.000 0.242 281 R C 2.380 178.656 176.300 -0.040 0.000 1.137 281 R CA 2.265 58.341 56.100 -0.040 0.000 0.944 281 R CB -0.515 29.773 30.300 -0.019 0.000 0.857 281 R HN 0.321 nan 8.270 nan 0.000 0.435 282 R N 0.393 120.863 120.500 -0.050 0.000 2.091 282 R HA -0.120 4.258 4.340 0.065 0.000 0.238 282 R C 2.438 178.707 176.300 -0.051 0.000 1.136 282 R CA 1.974 58.047 56.100 -0.045 0.000 0.959 282 R CB -0.377 29.894 30.300 -0.049 0.000 0.856 282 R HN 0.335 nan 8.270 nan 0.000 0.437 283 I N 0.858 121.387 120.570 -0.068 0.000 2.226 283 I HA -0.230 3.979 4.170 0.065 0.000 0.245 283 I C 2.659 178.741 176.117 -0.059 0.000 1.100 283 I CA 1.264 62.525 61.300 -0.065 0.000 1.374 283 I CB -0.659 37.296 38.000 -0.074 0.000 1.057 283 I HN 0.308 nan 8.210 nan 0.000 0.413 284 A N 0.713 123.499 122.820 -0.057 0.000 1.940 284 A HA -0.163 4.196 4.320 0.065 0.000 0.219 284 A C 2.456 180.014 177.584 -0.044 0.000 1.176 284 A CA 1.883 53.888 52.037 -0.055 0.000 0.631 284 A CB -0.980 17.997 19.000 -0.038 0.000 0.814 284 A HN 0.272 nan 8.150 nan 0.000 0.446 285 V N -0.508 119.390 119.914 -0.026 0.000 2.515 285 V HA -0.208 3.950 4.120 0.065 0.000 0.250 285 V C 2.408 178.487 176.094 -0.025 0.000 1.058 285 V CA 2.351 64.645 62.300 -0.009 0.000 1.064 285 V CB -0.477 31.344 31.823 -0.003 0.000 0.675 285 V HN 0.569 nan 8.190 nan 0.000 0.461 286 K N -0.789 119.587 120.400 -0.041 0.000 2.099 286 K HA 0.040 4.398 4.320 0.065 0.000 0.203 286 K C 1.996 178.546 176.600 -0.083 0.000 1.047 286 K CA 0.550 56.806 56.287 -0.052 0.000 0.963 286 K CB -0.290 32.183 32.500 -0.045 0.000 0.759 286 K HN 0.187 nan 8.250 nan 0.000 0.451 287 L N 1.450 122.624 121.223 -0.081 0.000 2.043 287 L HA -0.220 4.159 4.340 0.065 0.000 0.212 287 L C 2.295 179.091 176.870 -0.124 0.000 1.075 287 L CA 1.781 56.563 54.840 -0.098 0.000 0.752 287 L CB -0.820 41.191 42.059 -0.081 0.000 0.891 287 L HN 0.084 nan 8.230 nan 0.000 0.432 288 S N -0.759 114.875 115.700 -0.110 0.000 2.356 288 S HA -0.251 4.258 4.470 0.065 0.000 0.223 288 S C 2.069 176.614 174.600 -0.092 0.000 1.032 288 S CA 1.593 59.720 58.200 -0.121 0.000 1.005 288 S CB -0.307 62.835 63.200 -0.097 0.000 0.867 288 S HN 0.596 nan 8.310 nan 0.000 0.449 289 K N 1.301 121.660 120.400 -0.068 0.000 2.103 289 K HA -0.017 4.342 4.320 0.065 0.000 0.207 289 K C 1.766 178.284 176.600 -0.136 0.000 1.048 289 K CA 1.826 58.075 56.287 -0.063 0.000 0.930 289 K CB -0.681 31.802 32.500 -0.029 0.000 0.716 289 K HN 0.500 nan 8.250 nan 0.000 0.444 290 I N 1.033 121.460 120.570 -0.238 0.000 2.179 290 I HA -0.256 3.953 4.170 0.065 0.000 0.242 290 I C 2.523 178.424 176.117 -0.360 0.000 1.088 290 I CA 1.261 62.259 61.300 -0.503 0.000 1.357 290 I CB -0.565 37.031 38.000 -0.672 0.000 1.051 290 I HN 0.374 nan 8.210 nan 0.000 0.409 291 A N 1.251 123.942 122.820 -0.215 0.000 1.883 291 A HA -0.249 4.110 4.320 0.065 0.000 0.217 291 A C 2.080 179.603 177.584 -0.101 0.000 1.186 291 A CA 2.224 54.175 52.037 -0.144 0.000 0.624 291 A CB -0.806 18.119 19.000 -0.124 0.000 0.822 291 A HN 0.434 nan 8.150 nan 0.000 0.444 292 N N 0.627 119.280 118.700 -0.078 0.000 2.069 292 N HA -0.161 4.618 4.740 0.065 0.000 0.191 292 N C 1.245 176.742 175.510 -0.023 0.000 1.031 292 N CA 1.724 54.756 53.050 -0.031 0.000 0.852 292 N CB -0.725 37.759 38.487 -0.005 0.000 1.018 292 N HN 0.457 nan 8.380 nan 0.000 0.423 293 D N 0.684 121.058 120.400 -0.043 0.000 2.133 293 D HA -0.089 4.590 4.640 0.065 0.000 0.195 293 D C 2.138 178.458 176.300 0.033 0.000 0.997 293 D CA 0.517 54.525 54.000 0.013 0.000 0.840 293 D CB -0.320 40.507 40.800 0.045 0.000 0.947 293 D HN 0.224 nan 8.370 nan 0.000 0.452 294 L N 0.123 121.328 121.223 -0.031 0.000 2.046 294 L HA -0.114 4.265 4.340 0.065 0.000 0.208 294 L C 2.465 179.363 176.870 0.046 0.000 1.077 294 L CA 1.091 55.947 54.840 0.027 0.000 0.747 294 L CB -0.218 41.832 42.059 -0.014 0.000 0.896 294 L HN -0.001 nan 8.230 nan 0.000 0.432 295 R N -0.555 119.956 120.500 0.018 0.000 2.148 295 R HA -0.133 4.246 4.340 0.065 0.000 0.227 295 R C 2.074 178.394 176.300 0.033 0.000 1.103 295 R CA 0.882 56.997 56.100 0.024 0.000 0.983 295 R CB -0.216 30.091 30.300 0.012 0.000 0.874 295 R HN 0.226 nan 8.270 nan 0.000 0.451 296 L N 0.494 121.739 121.223 0.037 0.000 2.168 296 L HA 0.026 4.404 4.340 0.065 0.000 0.203 296 L C 1.868 178.767 176.870 0.049 0.000 1.078 296 L CA 1.292 56.156 54.840 0.039 0.000 0.780 296 L CB -0.037 42.044 42.059 0.037 0.000 0.939 296 L HN 0.049 nan 8.230 nan 0.000 0.451 297 L N -0.658 120.608 121.223 0.073 0.000 2.201 297 L HA -0.099 4.279 4.340 0.065 0.000 0.212 297 L C 2.302 179.212 176.870 0.067 0.000 1.105 297 L CA 1.247 56.137 54.840 0.084 0.000 0.775 297 L CB -0.581 41.565 42.059 0.145 0.000 0.913 297 L HN 0.483 nan 8.230 nan 0.000 0.440 298 S N -1.295 114.446 115.700 0.067 0.000 2.575 298 S HA 0.025 4.534 4.470 0.065 0.000 0.215 298 S C 0.976 175.597 174.600 0.035 0.000 0.966 298 S CA -0.204 58.028 58.200 0.053 0.000 0.911 298 S CB -0.409 62.829 63.200 0.064 0.000 0.780 298 S HN 0.374 nan 8.310 nan 0.000 0.514 299 S N 0.548 116.267 115.700 0.032 0.000 2.552 299 S HA 0.595 5.103 4.470 0.065 0.000 0.289 299 S C 0.841 175.451 174.600 0.017 0.000 1.304 299 S CA 0.102 58.315 58.200 0.023 0.000 1.063 299 S CB 0.494 63.706 63.200 0.022 0.000 0.848 299 S HN 1.302 nan 8.310 nan 0.000 0.499 300 G N 2.448 111.257 108.800 0.014 0.000 2.384 300 G HA2 0.137 4.136 3.960 0.065 0.000 0.113 300 G HA3 0.137 4.136 3.960 0.065 0.000 0.113 300 G C -2.233 172.673 174.900 0.010 0.000 1.224 300 G CA -0.114 44.992 45.100 0.010 0.000 1.126 300 G HN 0.614 nan 8.290 nan 0.000 0.461 301 P HA 0.165 nan 4.420 nan 0.000 0.222 301 P C 1.455 178.757 177.300 0.003 0.000 1.153 301 P CA 0.869 63.973 63.100 0.006 0.000 0.798 301 P CB 0.184 31.887 31.700 0.005 0.000 0.796 302 R N -0.827 119.675 120.500 0.003 0.000 2.221 302 R HA 0.239 4.617 4.340 0.065 0.000 0.195 302 R C 1.244 177.545 176.300 0.001 0.000 0.956 302 R CA 0.505 56.606 56.100 0.001 0.000 1.064 302 R CB 0.108 30.408 30.300 0.001 0.000 1.049 302 R HN -0.052 nan 8.270 nan 0.000 0.534 303 S N 0.325 116.027 115.700 0.003 0.000 2.526 303 S HA 0.404 4.913 4.470 0.065 0.000 0.245 303 S C -0.007 174.596 174.600 0.005 0.000 1.103 303 S CA -0.390 57.812 58.200 0.003 0.000 1.095 303 S CB 1.295 64.497 63.200 0.003 0.000 0.826 303 S HN 0.435 nan 8.310 nan 0.000 0.468 304 G N 0.225 109.029 108.800 0.006 0.000 3.243 304 G HA2 0.545 4.543 3.960 0.065 0.000 0.248 304 G HA3 0.545 4.543 3.960 0.065 0.000 0.248 304 G C 0.444 175.348 174.900 0.007 0.000 1.267 304 G CA -0.712 44.393 45.100 0.008 0.000 0.906 304 G HN 0.254 nan 8.290 nan 0.000 0.592 305 L N 0.490 121.719 121.223 0.010 0.000 2.072 305 L HA 0.146 4.525 4.340 0.065 0.000 0.205 305 L C 2.263 179.135 176.870 0.004 0.000 1.079 305 L CA 1.075 55.920 54.840 0.009 0.000 0.752 305 L CB -0.773 41.296 42.059 0.017 0.000 0.906 305 L HN 0.904 nan 8.230 nan 0.000 0.436 306 G N 0.640 109.445 108.800 0.007 0.000 2.321 306 G HA2 -0.279 3.720 3.960 0.065 0.000 0.287 306 G HA3 -0.279 3.720 3.960 0.065 0.000 0.287 306 G C 0.738 175.630 174.900 -0.013 0.000 1.018 306 G CA 0.720 45.821 45.100 0.001 0.000 0.855 306 G HN 0.562 nan 8.290 nan 0.000 0.507 307 E N -0.887 119.307 120.200 -0.011 0.000 2.230 307 E HA 0.100 4.489 4.350 0.065 0.000 0.192 307 E C 1.751 178.304 176.600 -0.078 0.000 0.987 307 E CA 1.165 57.540 56.400 -0.042 0.000 0.841 307 E CB 0.222 29.905 29.700 -0.028 0.000 0.783 307 E HN 0.935 nan 8.360 nan 0.000 0.481 308 I N -2.177 118.375 120.570 -0.029 0.000 3.108 308 I HA 0.598 4.807 4.170 0.065 0.000 0.312 308 I C -0.659 175.463 176.117 0.008 0.000 1.095 308 I CA -1.475 59.804 61.300 -0.034 0.000 1.000 308 I CB 2.131 40.165 38.000 0.056 0.000 1.229 308 I HN -0.353 nan 8.210 nan 0.000 0.454 309 R N 2.459 122.972 120.500 0.021 0.000 2.476 309 R HA 0.655 5.034 4.340 0.065 0.000 0.305 309 R C -1.352 174.992 176.300 0.073 0.000 0.965 309 R CA -0.535 55.588 56.100 0.039 0.000 0.867 309 R CB 1.936 32.249 30.300 0.022 0.000 1.176 309 R HN 0.588 nan 8.270 nan 0.000 0.447 310 L N 4.489 125.755 121.223 0.072 0.000 2.375 310 L HA 0.485 4.864 4.340 0.065 0.000 0.271 310 L C -1.875 175.028 176.870 0.056 0.000 1.107 310 L CA -2.211 52.676 54.840 0.078 0.000 0.806 310 L CB 0.798 42.899 42.059 0.069 0.000 1.146 310 L HN 0.334 nan 8.230 nan 0.000 0.447 311 P HA 0.020 nan 4.420 nan 0.000 0.264 311 P C -0.679 176.638 177.300 0.028 0.000 1.193 311 P CA -0.162 62.961 63.100 0.038 0.000 0.763 311 P CB 0.592 32.312 31.700 0.034 0.000 0.810 312 A N 3.519 126.353 122.820 0.024 0.000 2.457 312 A HA 0.257 4.616 4.320 0.065 0.000 0.298 312 A C 1.170 178.763 177.584 0.015 0.000 1.288 312 A CA -0.183 51.865 52.037 0.018 0.000 0.956 312 A CB -0.644 18.366 19.000 0.016 0.000 1.135 312 A HN 0.509 nan 8.150 nan 0.000 0.535 313 V N 0.378 120.300 119.914 0.013 0.000 3.565 313 V HA 0.146 4.305 4.120 0.065 0.000 0.260 313 V C 0.699 176.798 176.094 0.008 0.000 1.231 313 V CA 0.650 62.956 62.300 0.009 0.000 1.100 313 V CB -0.878 30.949 31.823 0.007 0.000 0.807 313 V HN 0.792 nan 8.190 nan 0.000 0.454 314 Q N 2.227 122.032 119.800 0.009 0.000 2.282 314 Q HA 0.475 4.853 4.340 0.065 0.000 0.260 314 Q C -2.584 173.422 176.000 0.009 0.000 0.964 314 Q CA -1.982 53.826 55.803 0.009 0.000 0.880 314 Q CB 2.290 31.033 28.738 0.009 0.000 1.286 314 Q HN 0.404 nan 8.270 nan 0.000 0.445 315 P HA 0.316 nan 4.420 nan 0.000 0.274 315 P C -0.640 176.665 177.300 0.008 0.000 1.231 315 P CA -0.193 62.912 63.100 0.008 0.000 0.790 315 P CB 1.247 32.952 31.700 0.007 0.000 0.951 316 G N 0.180 108.985 108.800 0.008 0.000 3.175 316 G HA2 0.564 4.563 3.960 0.065 0.000 0.255 316 G HA3 0.564 4.563 3.960 0.065 0.000 0.255 316 G C -0.960 173.945 174.900 0.007 0.000 1.352 316 G CA -0.579 44.525 45.100 0.008 0.000 1.037 316 G HN 0.661 nan 8.290 nan 0.000 0.556 317 S N -1.467 114.237 115.700 0.007 0.000 2.509 317 S HA 0.431 4.940 4.470 0.065 0.000 0.297 317 S C 1.250 175.853 174.600 0.006 0.000 1.118 317 S CA 0.495 58.699 58.200 0.006 0.000 1.074 317 S CB 1.770 64.974 63.200 0.006 0.000 1.038 317 S HN 0.752 nan 8.310 nan 0.000 0.498 318 S N 2.181 117.885 115.700 0.005 0.000 2.419 318 S HA -0.046 4.462 4.470 0.065 0.000 0.233 318 S C 1.371 175.974 174.600 0.005 0.000 1.016 318 S CA 1.075 59.278 58.200 0.005 0.000 0.974 318 S CB -0.701 62.502 63.200 0.005 0.000 0.786 318 S HN 0.753 nan 8.310 nan 0.000 0.492 319 I N -0.038 120.534 120.570 0.005 0.000 3.251 319 I HA 0.221 4.429 4.170 0.065 0.000 0.277 319 I C 0.563 176.682 176.117 0.004 0.000 1.268 319 I CA 0.562 61.865 61.300 0.004 0.000 1.449 319 I CB 0.180 38.183 38.000 0.004 0.000 1.083 319 I HN 0.284 nan 8.210 nan 0.000 0.464 320 M N 2.021 121.624 119.600 0.005 0.000 2.854 320 M HA 0.429 4.947 4.480 0.065 0.000 0.203 320 M C -2.584 173.720 176.300 0.006 0.000 1.069 320 M CA -2.260 53.044 55.300 0.005 0.000 0.803 320 M CB 0.270 32.873 32.600 0.006 0.000 1.380 320 M HN -0.203 nan 8.290 nan 0.000 0.494 321 P HA 0.574 nan 4.420 nan 0.000 0.274 321 P C 0.834 178.138 177.300 0.007 0.000 1.246 321 P CA 0.430 63.534 63.100 0.006 0.000 0.795 321 P CB 0.745 32.449 31.700 0.005 0.000 1.006 322 G N -0.656 108.148 108.800 0.007 0.000 2.267 322 G HA2 -0.269 3.730 3.960 0.065 0.000 0.257 322 G HA3 -0.269 3.730 3.960 0.065 0.000 0.257 322 G C 0.311 175.217 174.900 0.009 0.000 0.998 322 G CA 0.114 45.218 45.100 0.008 0.000 0.620 322 G HN 0.707 nan 8.290 nan 0.000 0.529 323 K N 0.920 121.326 120.400 0.009 0.000 2.284 323 K HA 0.510 4.869 4.320 0.065 0.000 0.287 323 K C -0.582 176.025 176.600 0.012 0.000 1.081 323 K CA -0.259 56.035 56.287 0.010 0.000 0.910 323 K CB 0.778 33.283 32.500 0.009 0.000 1.088 323 K HN 0.052 nan 8.250 nan 0.000 0.478 324 V N 5.601 125.524 119.914 0.014 0.000 2.325 324 V HA 0.119 4.278 4.120 0.065 0.000 0.280 324 V C -0.496 175.608 176.094 0.017 0.000 1.016 324 V CA -1.168 61.141 62.300 0.016 0.000 0.818 324 V CB 1.134 32.969 31.823 0.020 0.000 1.019 324 V HN 0.733 nan 8.190 nan 0.000 0.434 325 N N 6.828 125.537 118.700 0.015 0.000 2.483 325 N HA 0.181 4.960 4.740 0.065 0.000 0.264 325 N C -2.158 173.361 175.510 0.015 0.000 1.197 325 N CA -1.269 51.789 53.050 0.015 0.000 0.927 325 N CB 1.090 39.585 38.487 0.013 0.000 1.065 325 N HN 0.378 nan 8.380 nan 0.000 0.461 326 P HA 0.076 nan 4.420 nan 0.000 0.230 326 P C 0.805 178.109 177.300 0.007 0.000 1.791 326 P CA -0.092 63.017 63.100 0.015 0.000 1.020 326 P CB 0.157 31.867 31.700 0.018 0.000 1.977 327 V N 1.469 121.387 119.914 0.006 0.000 2.427 327 V HA -0.205 3.953 4.120 0.065 0.000 0.248 327 V C 2.209 178.298 176.094 -0.008 0.000 1.051 327 V CA 1.625 63.926 62.300 0.001 0.000 1.048 327 V CB -0.512 31.314 31.823 0.004 0.000 0.666 327 V HN 0.220 nan 8.190 nan 0.000 0.456 328 I N -0.308 120.256 120.570 -0.010 0.000 2.277 328 I HA -0.080 4.129 4.170 0.065 0.000 0.243 328 I C -0.264 175.832 176.117 -0.036 0.000 1.094 328 I CA 1.194 62.481 61.300 -0.022 0.000 1.393 328 I CB -1.243 36.745 38.000 -0.020 0.000 1.078 328 I HN 0.326 nan 8.210 nan 0.000 0.417 329 P HA -0.200 nan 4.420 nan 0.000 0.216 329 P C 1.292 178.556 177.300 -0.060 0.000 1.153 329 P CA 1.537 64.607 63.100 -0.050 0.000 0.858 329 P CB -0.033 31.646 31.700 -0.035 0.000 0.789 330 E N -0.364 119.813 120.200 -0.038 0.000 2.085 330 E HA -0.170 4.219 4.350 0.065 0.000 0.194 330 E C 2.165 178.732 176.600 -0.055 0.000 0.994 330 E CA 1.832 58.212 56.400 -0.033 0.000 0.801 330 E CB -0.457 29.239 29.700 -0.007 0.000 0.743 330 E HN 0.349 nan 8.360 nan 0.000 0.453 331 S N 0.306 115.977 115.700 -0.048 0.000 2.406 331 S HA -0.095 4.413 4.470 0.065 0.000 0.228 331 S C 2.202 176.750 174.600 -0.088 0.000 1.020 331 S CA 0.843 59.011 58.200 -0.054 0.000 0.965 331 S CB -0.421 62.759 63.200 -0.033 0.000 0.798 331 S HN 0.052 nan 8.310 nan 0.000 0.488 332 V N 3.323 123.178 119.914 -0.097 0.000 2.255 332 V HA -0.276 3.882 4.120 0.065 0.000 0.247 332 V C 2.451 178.415 176.094 -0.216 0.000 1.051 332 V CA 2.400 64.623 62.300 -0.128 0.000 1.018 332 V CB -1.574 30.181 31.823 -0.114 0.000 0.641 332 V HN 0.548 nan 8.190 nan 0.000 0.445 333 N N -0.178 118.362 118.700 -0.266 0.000 2.021 333 N HA -0.287 4.492 4.740 0.065 0.000 0.198 333 N C 1.954 176.997 175.510 -0.777 0.000 1.041 333 N CA 1.883 54.614 53.050 -0.531 0.000 0.862 333 N CB -0.283 37.970 38.487 -0.390 0.000 1.048 333 N HN 0.570 nan 8.380 nan 0.000 0.427 334 Q N 0.299 119.866 119.800 -0.388 0.000 2.077 334 Q HA -0.177 4.202 4.340 0.065 0.000 0.206 334 Q C 2.234 178.140 176.000 -0.158 0.000 0.989 334 Q CA 1.465 57.153 55.803 -0.191 0.000 0.853 334 Q CB -0.281 28.434 28.738 -0.039 0.000 0.907 334 Q HN 0.251 nan 8.270 nan 0.000 0.418 335 V N 0.438 120.263 119.914 -0.149 0.000 2.252 335 V HA -0.371 3.787 4.120 0.065 0.000 0.249 335 V C 2.440 178.460 176.094 -0.123 0.000 1.056 335 V CA 1.875 64.112 62.300 -0.104 0.000 1.022 335 V CB -0.655 31.115 31.823 -0.089 0.000 0.641 335 V HN 0.554 nan 8.190 nan 0.000 0.445 336 C N -0.752 118.418 119.300 -0.218 0.000 2.413 336 C HA -0.197 4.301 4.460 0.065 0.000 0.276 336 C C 2.574 177.522 174.990 -0.070 0.000 1.248 336 C CA 0.749 59.658 59.018 -0.182 0.000 1.742 336 C CB -1.320 26.274 27.740 -0.242 0.000 2.017 336 C HN 0.624 nan 8.230 nan 0.000 0.481 337 Y N 0.977 121.266 120.300 -0.018 0.000 2.274 337 Y HA -0.165 4.379 4.550 -0.011 0.000 0.290 337 Y C 2.549 178.443 175.900 -0.011 0.000 1.145 337 Y CA 1.465 59.557 58.100 -0.013 0.000 1.203 337 Y CB -1.254 37.200 38.460 -0.010 0.000 0.984 337 Y HN 0.369 nan 8.280 nan 0.000 0.533 338 Q N 0.256 120.118 119.800 0.104 0.000 2.083 338 Q HA -0.081 4.298 4.340 0.065 0.000 0.198 338 Q C 2.228 178.248 176.000 0.033 0.000 0.969 338 Q CA 1.543 57.382 55.803 0.059 0.000 0.838 338 Q CB -0.454 28.298 28.738 0.024 0.000 0.900 338 Q HN 0.281 nan 8.270 nan 0.000 0.436 339 V N 0.437 120.359 119.914 0.012 0.000 2.295 339 V HA -0.252 3.907 4.120 0.065 0.000 0.246 339 V C 2.211 178.314 176.094 0.015 0.000 1.049 339 V CA 1.818 64.116 62.300 -0.004 0.000 1.024 339 V CB -0.541 31.267 31.823 -0.025 0.000 0.648 339 V HN 0.391 nan 8.190 nan 0.000 0.447 340 I N 0.764 121.358 120.570 0.039 0.000 2.264 340 I HA -0.198 4.011 4.170 0.065 0.000 0.248 340 I C 2.562 178.705 176.117 0.042 0.000 1.111 340 I CA 1.739 63.067 61.300 0.047 0.000 1.382 340 I CB -0.882 37.164 38.000 0.077 0.000 1.060 340 I HN 0.411 nan 8.210 nan 0.000 0.418 341 G N 0.715 109.544 108.800 0.049 0.000 2.421 341 G HA2 -0.253 3.746 3.960 0.065 0.000 0.216 341 G HA3 -0.253 3.746 3.960 0.065 0.000 0.216 341 G C 1.399 176.320 174.900 0.034 0.000 1.171 341 G CA 0.771 45.894 45.100 0.039 0.000 0.775 341 G HN 0.300 nan 8.290 nan 0.000 0.543 342 N N 0.768 119.484 118.700 0.027 0.000 2.205 342 N HA -0.086 4.693 4.740 0.065 0.000 0.186 342 N C 1.754 177.281 175.510 0.027 0.000 1.015 342 N CA 1.384 54.444 53.050 0.017 0.000 0.862 342 N CB -0.399 38.078 38.487 -0.016 0.000 0.986 342 N HN 0.467 nan 8.380 nan 0.000 0.429 343 D N -0.052 120.365 120.400 0.029 0.000 2.117 343 D HA -0.116 4.562 4.640 0.065 0.000 0.197 343 D C 1.876 178.204 176.300 0.047 0.000 0.987 343 D CA 0.506 54.531 54.000 0.040 0.000 0.829 343 D CB -0.114 40.704 40.800 0.030 0.000 0.961 343 D HN 0.082 nan 8.370 nan 0.000 0.460 344 L N 0.317 121.563 121.223 0.038 0.000 2.046 344 L HA -0.114 4.265 4.340 0.065 0.000 0.208 344 L C 2.184 179.077 176.870 0.039 0.000 1.077 344 L CA 1.965 56.827 54.840 0.036 0.000 0.747 344 L CB -1.149 40.926 42.059 0.027 0.000 0.896 344 L HN 0.065 nan 8.230 nan 0.000 0.432 345 T N -1.077 113.502 114.554 0.042 0.000 2.684 345 T HA -0.192 4.197 4.350 0.065 0.000 0.267 345 T C 1.998 176.729 174.700 0.051 0.000 1.036 345 T CA 1.728 63.855 62.100 0.046 0.000 1.148 345 T CB -0.551 68.356 68.868 0.065 0.000 0.863 345 T HN 0.214 nan 8.240 nan 0.000 0.436 346 V N 1.419 121.370 119.914 0.062 0.000 2.287 346 V HA -0.226 3.933 4.120 0.065 0.000 0.248 346 V C 2.822 178.978 176.094 0.102 0.000 1.053 346 V CA 2.133 64.485 62.300 0.086 0.000 1.027 346 V CB -1.123 30.766 31.823 0.110 0.000 0.646 346 V HN 0.535 nan 8.190 nan 0.000 0.447 347 T N -0.291 114.316 114.554 0.088 0.000 2.720 347 T HA -0.219 4.169 4.350 0.065 0.000 0.268 347 T C 1.961 176.707 174.700 0.077 0.000 1.037 347 T CA 1.699 63.851 62.100 0.087 0.000 1.144 347 T CB -0.276 68.632 68.868 0.067 0.000 0.864 347 T HN 0.198 nan 8.240 nan 0.000 0.444 348 M N 1.133 120.764 119.600 0.051 0.000 2.065 348 M HA -0.033 4.486 4.480 0.065 0.000 0.259 348 M C 2.834 179.157 176.300 0.038 0.000 1.069 348 M CA 1.719 57.035 55.300 0.027 0.000 1.110 348 M CB -1.645 30.949 32.600 -0.010 0.000 1.328 348 M HN 0.313 nan 8.290 nan 0.000 0.405 349 A N 0.080 122.930 122.820 0.051 0.000 1.902 349 A HA -0.002 4.357 4.320 0.065 0.000 0.217 349 A C 2.452 180.170 177.584 0.223 0.000 1.181 349 A CA 2.270 54.377 52.037 0.116 0.000 0.623 349 A CB -0.935 18.144 19.000 0.132 0.000 0.818 349 A HN 0.504 nan 8.150 nan 0.000 0.443 350 A N -0.715 122.217 122.820 0.186 0.000 1.873 350 A HA -0.162 4.197 4.320 0.065 0.000 0.215 350 A C 2.037 179.738 177.584 0.196 0.000 1.186 350 A CA 1.665 53.831 52.037 0.216 0.000 0.616 350 A CB -0.501 18.625 19.000 0.210 0.000 0.823 350 A HN 0.473 nan 8.150 nan 0.000 0.442 351 E N 0.480 120.769 120.200 0.148 0.000 2.333 351 E HA -0.088 4.300 4.350 0.065 0.000 0.198 351 E C 1.079 177.753 176.600 0.124 0.000 1.007 351 E CA 0.914 57.385 56.400 0.118 0.000 0.845 351 E CB -0.124 29.625 29.700 0.082 0.000 0.766 351 E HN 0.457 nan 8.360 nan 0.000 0.507 352 S N 0.108 115.912 115.700 0.174 0.000 2.710 352 S HA 0.168 4.676 4.470 0.065 0.000 0.224 352 S C 0.485 175.232 174.600 0.245 0.000 0.948 352 S CA 0.172 58.505 58.200 0.222 0.000 0.949 352 S CB 0.324 63.690 63.200 0.277 0.000 0.778 352 S HN 0.287 nan 8.310 nan 0.000 0.498 353 G N 1.021 109.921 108.800 0.168 0.000 2.483 353 G HA2 0.402 4.401 3.960 0.065 0.000 0.248 353 G HA3 0.402 4.401 3.960 0.065 0.000 0.248 353 G C -0.533 174.374 174.900 0.011 0.000 1.248 353 G CA -0.277 44.888 45.100 0.108 0.000 0.838 353 G HN 0.375 nan 8.290 nan 0.000 0.566 354 Q N 1.044 120.826 119.800 -0.031 0.000 2.294 354 Q HA 0.453 4.831 4.340 0.065 0.000 0.264 354 Q C 0.418 176.351 176.000 -0.112 0.000 0.992 354 Q CA -0.611 55.146 55.803 -0.076 0.000 0.747 354 Q CB 1.955 30.672 28.738 -0.037 0.000 1.262 354 Q HN 0.611 nan 8.270 nan 0.000 0.452 355 L N 0.516 121.614 121.223 -0.208 0.000 6.079 355 L HA -0.465 3.914 4.340 0.065 0.000 0.053 355 L C 0.964 177.733 176.870 -0.169 0.000 2.483 355 L CA 1.180 55.894 54.840 -0.210 0.000 1.581 355 L CB -1.022 40.979 42.059 -0.096 0.000 2.843 355 L HN 0.608 nan 8.230 nan 0.000 1.020 356 Q N -0.155 119.648 119.800 0.005 0.000 2.444 356 Q HA 0.432 4.810 4.340 0.065 0.000 0.206 356 Q C -0.537 175.597 176.000 0.222 0.000 0.948 356 Q CA 0.589 56.494 55.803 0.169 0.000 0.946 356 Q CB 0.317 29.129 28.738 0.125 0.000 1.027 356 Q HN 0.297 nan 8.270 nan 0.000 0.513 357 L N -0.281 121.031 121.223 0.148 0.000 2.506 357 L HA 0.418 4.796 4.340 0.065 0.000 0.257 357 L C -1.638 175.287 176.870 0.091 0.000 0.964 357 L CA -0.539 54.381 54.840 0.133 0.000 0.836 357 L CB 2.029 44.112 42.059 0.040 0.000 1.384 357 L HN -0.102 nan 8.230 nan 0.000 0.410 358 N N 2.479 121.247 118.700 0.114 0.000 2.422 358 N HA 0.383 5.162 4.740 0.065 0.000 0.266 358 N C 0.182 175.603 175.510 -0.148 0.000 1.007 358 N CA 0.379 53.445 53.050 0.028 0.000 0.941 358 N CB 2.160 40.741 38.487 0.158 0.000 1.115 358 N HN 0.795 nan 8.380 nan 0.000 0.492 359 A N 3.528 126.055 122.820 -0.487 0.000 2.238 359 A HA 0.104 4.462 4.320 0.065 0.000 0.208 359 A C 0.117 177.254 177.584 -0.745 0.000 1.177 359 A CA 0.385 51.990 52.037 -0.721 0.000 0.804 359 A CB -0.336 18.099 19.000 -0.942 0.000 0.823 359 A HN 0.590 nan 8.150 nan 0.000 0.482 360 F N -0.085 119.873 119.950 0.013 0.000 2.772 360 F HA 0.271 4.837 4.527 0.066 0.000 0.302 360 F C 1.277 177.063 175.800 -0.023 0.000 1.136 360 F CA -0.656 57.340 58.000 -0.007 0.000 1.322 360 F CB -0.191 38.817 39.000 0.013 0.000 0.967 360 F HN 0.257 nan 8.300 nan 0.000 0.513 361 E N 0.797 121.042 120.200 0.076 0.000 2.150 361 E HA -0.120 4.269 4.350 0.065 0.000 0.193 361 E C -0.697 175.945 176.600 0.070 0.000 0.985 361 E CA 0.846 57.265 56.400 0.032 0.000 0.814 361 E CB -0.876 28.872 29.700 0.081 0.000 0.752 361 E HN 0.299 nan 8.360 nan 0.000 0.466 362 P HA -0.181 nan 4.420 nan 0.000 0.216 362 P C 1.473 178.756 177.300 -0.029 0.000 1.150 362 P CA 0.880 64.015 63.100 0.059 0.000 0.837 362 P CB 0.071 31.734 31.700 -0.063 0.000 0.786 363 L N -0.962 120.251 121.223 -0.017 0.000 2.044 363 L HA -0.081 4.298 4.340 0.065 0.000 0.205 363 L C 2.231 179.102 176.870 0.003 0.000 1.075 363 L CA 1.608 56.428 54.840 -0.033 0.000 0.747 363 L CB -1.166 40.918 42.059 0.043 0.000 0.903 363 L HN -0.170 nan 8.230 nan 0.000 0.435 364 I N -1.277 119.280 120.570 -0.021 0.000 2.118 364 I HA -0.331 3.877 4.170 0.065 0.000 0.241 364 I C 2.552 178.586 176.117 -0.139 0.000 1.070 364 I CA 1.768 63.013 61.300 -0.093 0.000 1.327 364 I CB -0.527 37.344 38.000 -0.215 0.000 1.034 364 I HN 0.223 nan 8.210 nan 0.000 0.405 365 V N -0.094 119.713 119.914 -0.178 0.000 2.427 365 V HA -0.315 3.844 4.120 0.065 0.000 0.248 365 V C 2.308 178.370 176.094 -0.054 0.000 1.051 365 V CA 1.818 64.011 62.300 -0.178 0.000 1.048 365 V CB -0.491 31.196 31.823 -0.228 0.000 0.666 365 V HN 0.503 nan 8.190 nan 0.000 0.456 366 Y N 1.395 121.601 120.300 -0.156 0.000 2.200 366 Y HA -0.175 4.415 4.550 0.067 0.000 0.290 366 Y C 2.432 178.271 175.900 -0.102 0.000 1.137 366 Y CA 2.188 60.196 58.100 -0.153 0.000 1.163 366 Y CB -0.556 37.742 38.460 -0.270 0.000 0.988 366 Y HN 0.345 nan 8.280 nan 0.000 0.518 367 N N 0.446 119.002 118.700 -0.241 0.000 2.142 367 N HA -0.164 4.615 4.740 0.065 0.000 0.186 367 N C 1.960 177.366 175.510 -0.173 0.000 1.023 367 N CA 1.910 54.786 53.050 -0.288 0.000 0.852 367 N CB -0.180 38.249 38.487 -0.096 0.000 0.998 367 N HN 0.421 nan 8.380 nan 0.000 0.424 368 I N 1.355 121.889 120.570 -0.060 0.000 2.179 368 I HA -0.244 3.965 4.170 0.065 0.000 0.242 368 I C 2.271 178.403 176.117 0.025 0.000 1.088 368 I CA 0.906 62.236 61.300 0.048 0.000 1.357 368 I CB -0.400 37.704 38.000 0.174 0.000 1.051 368 I HN 0.069 nan 8.210 nan 0.000 0.409 369 L N 0.233 121.436 121.223 -0.033 0.000 2.042 369 L HA -0.217 4.162 4.340 0.065 0.000 0.210 369 L C 2.778 179.606 176.870 -0.069 0.000 1.076 369 L CA 1.312 56.134 54.840 -0.030 0.000 0.749 369 L CB -0.565 41.477 42.059 -0.030 0.000 0.893 369 L HN 0.201 nan 8.230 nan 0.000 0.432 370 S N -0.742 114.843 115.700 -0.192 0.000 2.353 370 S HA -0.223 4.286 4.470 0.065 0.000 0.222 370 S C 2.218 176.755 174.600 -0.106 0.000 1.035 370 S CA 1.729 59.811 58.200 -0.197 0.000 1.025 370 S CB -0.284 62.683 63.200 -0.388 0.000 0.902 370 S HN 0.330 nan 8.310 nan 0.000 0.440 371 S N 1.154 116.796 115.700 -0.096 0.000 2.359 371 S HA -0.078 4.431 4.470 0.065 0.000 0.224 371 S C 1.934 176.521 174.600 -0.020 0.000 1.035 371 S CA 1.347 59.516 58.200 -0.050 0.000 1.018 371 S CB -0.371 62.808 63.200 -0.036 0.000 0.876 371 S HN 0.388 nan 8.310 nan 0.000 0.448 372 M N 0.845 120.454 119.600 0.016 0.000 2.065 372 M HA -0.208 4.311 4.480 0.065 0.000 0.259 372 M C 2.758 179.071 176.300 0.022 0.000 1.069 372 M CA 2.056 57.383 55.300 0.045 0.000 1.110 372 M CB -0.529 32.138 32.600 0.111 0.000 1.328 372 M HN 0.422 nan 8.290 nan 0.000 0.405 373 R N 0.666 121.172 120.500 0.010 0.000 2.091 373 R HA -0.102 4.276 4.340 0.065 0.000 0.238 373 R C 1.795 178.093 176.300 -0.004 0.000 1.136 373 R CA 1.966 58.069 56.100 0.005 0.000 0.959 373 R CB -1.999 28.303 30.300 0.004 0.000 0.856 373 R HN 0.474 nan 8.270 nan 0.000 0.437 374 L N 0.044 121.257 121.223 -0.016 0.000 2.093 374 L HA -0.025 4.354 4.340 0.065 0.000 0.208 374 L C 2.772 179.627 176.870 -0.025 0.000 1.085 374 L CA 1.052 55.880 54.840 -0.021 0.000 0.755 374 L CB -0.415 41.626 42.059 -0.030 0.000 0.904 374 L HN 0.249 nan 8.230 nan 0.000 0.435 375 L N -0.404 120.804 121.223 -0.025 0.000 2.027 375 L HA -0.110 4.269 4.340 0.065 0.000 0.206 375 L C 2.717 179.576 176.870 -0.019 0.000 1.074 375 L CA 1.410 56.233 54.840 -0.029 0.000 0.745 375 L CB -1.157 40.882 42.059 -0.032 0.000 0.898 375 L HN 0.342 nan 8.230 nan 0.000 0.433 376 G N -0.145 108.653 108.800 -0.004 0.000 2.529 376 G HA2 -0.321 3.678 3.960 0.065 0.000 0.219 376 G HA3 -0.321 3.678 3.960 0.065 0.000 0.219 376 G C 1.720 176.618 174.900 -0.005 0.000 1.177 376 G CA 0.905 46.007 45.100 0.004 0.000 0.773 376 G HN 0.284 nan 8.290 nan 0.000 0.573 377 R N 0.293 120.788 120.500 -0.008 0.000 2.090 377 R HA 0.164 4.543 4.340 0.065 0.000 0.228 377 R C 3.041 179.328 176.300 -0.021 0.000 1.110 377 R CA 1.003 57.096 56.100 -0.011 0.000 0.973 377 R CB -0.277 30.019 30.300 -0.007 0.000 0.869 377 R HN 0.372 nan 8.270 nan 0.000 0.440 378 A N 0.927 123.730 122.820 -0.029 0.000 1.855 378 A HA -0.168 4.190 4.320 0.065 0.000 0.215 378 A C 2.154 179.711 177.584 -0.045 0.000 1.191 378 A CA 1.303 53.316 52.037 -0.041 0.000 0.613 378 A CB -0.443 18.524 19.000 -0.054 0.000 0.829 378 A HN 0.167 nan 8.150 nan 0.000 0.442 379 M N -0.613 118.963 119.600 -0.040 0.000 2.106 379 M HA -0.163 4.356 4.480 0.065 0.000 0.259 379 M C 2.253 178.526 176.300 -0.045 0.000 1.068 379 M CA 2.069 57.345 55.300 -0.040 0.000 1.100 379 M CB -0.875 31.711 32.600 -0.023 0.000 1.351 379 M HN 0.482 nan 8.290 nan 0.000 0.404 380 T N 0.479 115.015 114.554 -0.030 0.000 2.674 380 T HA -0.109 4.280 4.350 0.065 0.000 0.265 380 T C 1.546 176.222 174.700 -0.040 0.000 1.039 380 T CA 1.499 63.582 62.100 -0.029 0.000 1.150 380 T CB -0.404 68.456 68.868 -0.014 0.000 0.864 380 T HN 0.328 nan 8.240 nan 0.000 0.427 381 N N 1.196 119.874 118.700 -0.037 0.000 2.166 381 N HA -0.029 4.750 4.740 0.065 0.000 0.186 381 N C 1.663 177.142 175.510 -0.052 0.000 1.019 381 N CA 0.537 53.564 53.050 -0.037 0.000 0.856 381 N CB -0.649 37.820 38.487 -0.030 0.000 0.993 381 N HN 0.186 nan 8.380 nan 0.000 0.426 382 L N 0.664 121.846 121.223 -0.068 0.000 2.083 382 L HA -0.026 4.352 4.340 0.065 0.000 0.209 382 L C 1.950 178.740 176.870 -0.133 0.000 1.083 382 L CA 1.448 56.232 54.840 -0.093 0.000 0.752 382 L CB -0.769 41.229 42.059 -0.101 0.000 0.899 382 L HN 0.141 nan 8.230 nan 0.000 0.433 383 A N -1.025 121.711 122.820 -0.139 0.000 1.874 383 A HA -0.136 4.222 4.320 0.065 0.000 0.214 383 A C 2.174 179.696 177.584 -0.103 0.000 1.189 383 A CA 1.480 53.417 52.037 -0.166 0.000 0.615 383 A CB -0.481 18.436 19.000 -0.138 0.000 0.830 383 A HN 0.546 nan 8.150 nan 0.000 0.443 384 E N -1.491 118.669 120.200 -0.066 0.000 2.230 384 E HA -0.014 4.374 4.350 0.065 0.000 0.192 384 E C 1.909 178.491 176.600 -0.030 0.000 0.987 384 E CA 0.695 57.070 56.400 -0.041 0.000 0.841 384 E CB 0.090 29.773 29.700 -0.029 0.000 0.783 384 E HN 0.452 nan 8.360 nan 0.000 0.481 385 R N -1.465 119.016 120.500 -0.032 0.000 2.446 385 R HA 0.196 4.575 4.340 0.065 0.000 0.254 385 R C 1.268 177.562 176.300 -0.011 0.000 0.918 385 R CA 0.068 56.157 56.100 -0.017 0.000 1.069 385 R CB 0.491 30.780 30.300 -0.018 0.000 1.194 385 R HN 0.128 nan 8.270 nan 0.000 0.534 386 C N -2.296 116.992 119.300 -0.020 0.000 2.947 386 C HA 0.274 4.772 4.460 0.065 0.000 0.337 386 C C 2.078 177.077 174.990 0.015 0.000 2.005 386 C CA -0.052 58.966 59.018 0.001 0.000 2.072 386 C CB -0.149 27.585 27.740 -0.009 0.000 1.873 386 C HN 0.146 nan 8.230 nan 0.000 0.682 387 V N 2.100 121.988 119.914 -0.042 0.000 2.233 387 V HA -0.170 3.988 4.120 0.065 0.000 0.247 387 V C 2.127 178.238 176.094 0.029 0.000 1.050 387 V CA 2.805 65.089 62.300 -0.026 0.000 1.010 387 V CB -0.839 30.790 31.823 -0.323 0.000 0.637 387 V HN 0.538 nan 8.190 nan 0.000 0.444 388 D N 0.523 120.906 120.400 -0.029 0.000 2.220 388 D HA -0.161 4.517 4.640 0.065 0.000 0.198 388 D C 1.905 178.217 176.300 0.021 0.000 1.001 388 D CA 1.760 55.753 54.000 -0.012 0.000 0.875 388 D CB -0.344 40.440 40.800 -0.026 0.000 0.921 388 D HN 0.537 nan 8.370 nan 0.000 0.454 389 G N -0.891 107.933 108.800 0.041 0.000 3.126 389 G HA2 0.166 4.165 3.960 0.065 0.000 0.224 389 G HA3 0.166 4.165 3.960 0.065 0.000 0.224 389 G C 0.701 175.662 174.900 0.102 0.000 1.142 389 G CA -0.367 44.767 45.100 0.058 0.000 0.759 389 G HN 0.173 nan 8.290 nan 0.000 0.550 390 I N 1.096 121.761 120.570 0.158 0.000 2.880 390 I HA 0.041 4.250 4.170 0.065 0.000 0.296 390 I C 0.246 176.521 176.117 0.264 0.000 1.220 390 I CA 0.777 62.215 61.300 0.229 0.000 1.435 390 I CB 0.594 38.823 38.000 0.382 0.000 1.339 390 I HN 0.115 nan 8.210 nan 0.000 0.583 391 E N 3.619 123.922 120.200 0.171 0.000 2.256 391 E HA 0.644 5.032 4.350 0.065 0.000 0.267 391 E C -0.961 175.562 176.600 -0.129 0.000 0.892 391 E CA -1.016 55.449 56.400 0.108 0.000 0.775 391 E CB 2.089 31.826 29.700 0.063 0.000 1.207 391 E HN 0.679 nan 8.360 nan 0.000 0.420 392 A N 2.479 125.094 122.820 -0.341 0.000 2.309 392 A HA 0.240 4.598 4.320 0.065 0.000 0.298 392 A C -0.136 177.317 177.584 -0.218 0.000 1.165 392 A CA -0.531 51.207 52.037 -0.499 0.000 0.821 392 A CB 0.388 18.898 19.000 -0.817 0.000 1.102 392 A HN 0.520 nan 8.150 nan 0.000 0.500 393 N N 3.347 121.946 118.700 -0.168 0.000 2.719 393 N HA 0.126 4.905 4.740 0.065 0.000 0.243 393 N C 0.881 176.329 175.510 -0.103 0.000 1.104 393 N CA -0.102 52.889 53.050 -0.098 0.000 0.981 393 N CB 0.762 39.210 38.487 -0.064 0.000 1.290 393 N HN 0.291 nan 8.380 nan 0.000 0.513 394 V N 2.610 122.468 119.914 -0.094 0.000 2.343 394 V HA -0.152 4.007 4.120 0.065 0.000 0.247 394 V C 2.186 178.247 176.094 -0.055 0.000 1.051 394 V CA 1.407 63.657 62.300 -0.083 0.000 1.036 394 V CB -0.202 31.588 31.823 -0.055 0.000 0.654 394 V HN 0.565 nan 8.190 nan 0.000 0.451 395 E N -0.164 120.012 120.200 -0.040 0.000 2.107 395 E HA -0.162 4.227 4.350 0.065 0.000 0.191 395 E C 2.382 178.963 176.600 -0.031 0.000 0.982 395 E CA 0.834 57.216 56.400 -0.029 0.000 0.809 395 E CB -0.196 29.491 29.700 -0.020 0.000 0.756 395 E HN 0.468 nan 8.360 nan 0.000 0.459 396 R N -0.018 120.461 120.500 -0.036 0.000 2.092 396 R HA -0.088 4.291 4.340 0.065 0.000 0.231 396 R C 2.425 178.702 176.300 -0.038 0.000 1.119 396 R CA 1.165 57.246 56.100 -0.033 0.000 0.970 396 R CB -0.186 30.096 30.300 -0.031 0.000 0.864 396 R HN 0.175 nan 8.270 nan 0.000 0.440 397 C N -0.256 119.012 119.300 -0.054 0.000 2.436 397 C HA -0.085 4.414 4.460 0.065 0.000 0.277 397 C C 2.703 177.668 174.990 -0.043 0.000 1.241 397 C CA 0.944 59.927 59.018 -0.058 0.000 1.721 397 C CB -0.895 26.791 27.740 -0.089 0.000 2.043 397 C HN 0.531 nan 8.230 nan 0.000 0.472 398 R N 1.137 121.615 120.500 -0.038 0.000 2.096 398 R HA -0.118 4.260 4.340 0.065 0.000 0.235 398 R C 2.089 178.376 176.300 -0.022 0.000 1.127 398 R CA 1.788 57.872 56.100 -0.026 0.000 0.968 398 R CB -0.363 29.925 30.300 -0.020 0.000 0.861 398 R HN 0.478 nan 8.270 nan 0.000 0.440 399 A N 0.163 122.970 122.820 -0.022 0.000 1.969 399 A HA 0.002 4.361 4.320 0.065 0.000 0.218 399 A C 2.341 179.914 177.584 -0.018 0.000 1.169 399 A CA 1.391 53.417 52.037 -0.018 0.000 0.635 399 A CB -1.059 17.931 19.000 -0.016 0.000 0.810 399 A HN 0.580 nan 8.150 nan 0.000 0.445 400 G N -0.316 108.471 108.800 -0.021 0.000 2.418 400 G HA2 -0.018 3.981 3.960 0.065 0.000 0.217 400 G HA3 -0.018 3.981 3.960 0.065 0.000 0.217 400 G C 1.728 176.616 174.900 -0.021 0.000 1.158 400 G CA 1.442 46.530 45.100 -0.020 0.000 0.771 400 G HN 0.757 nan 8.290 nan 0.000 0.545 401 A N 0.886 123.692 122.820 -0.023 0.000 1.873 401 A HA 0.019 4.377 4.320 0.065 0.000 0.215 401 A C 2.173 179.746 177.584 -0.019 0.000 1.186 401 A CA 1.830 53.853 52.037 -0.023 0.000 0.616 401 A CB -0.346 18.639 19.000 -0.025 0.000 0.823 401 A HN 0.449 nan 8.150 nan 0.000 0.442 402 E N -0.303 119.888 120.200 -0.016 0.000 2.152 402 E HA -0.142 4.246 4.350 0.065 0.000 0.192 402 E C 1.685 178.277 176.600 -0.014 0.000 0.983 402 E CA 0.975 57.367 56.400 -0.014 0.000 0.818 402 E CB -0.126 29.567 29.700 -0.012 0.000 0.758 402 E HN 0.698 nan 8.360 nan 0.000 0.467 403 E N 0.879 121.070 120.200 -0.015 0.000 2.478 403 E HA -0.018 4.371 4.350 0.065 0.000 0.198 403 E C 0.481 177.072 176.600 -0.015 0.000 1.046 403 E CA -0.128 56.263 56.400 -0.014 0.000 0.870 403 E CB 0.249 29.941 29.700 -0.013 0.000 0.818 403 E HN -0.072 nan 8.360 nan 0.000 0.527 404 S N 0.301 115.992 115.700 -0.016 0.000 2.549 404 S HA 0.077 4.586 4.470 0.065 0.000 0.279 404 S C 0.980 175.569 174.600 -0.019 0.000 1.321 404 S CA -0.364 57.825 58.200 -0.017 0.000 1.054 404 S CB 0.496 63.685 63.200 -0.019 0.000 0.899 404 S HN 0.113 nan 8.310 nan 0.000 0.497 405 I N 4.333 124.891 120.570 -0.019 0.000 2.928 405 I HA -0.094 4.115 4.170 0.065 0.000 0.266 405 I C 2.405 178.508 176.117 -0.025 0.000 1.234 405 I CA 0.841 62.127 61.300 -0.023 0.000 1.483 405 I CB -0.204 37.783 38.000 -0.022 0.000 1.097 405 I HN 0.819 nan 8.210 nan 0.000 0.455 406 S N 0.868 116.556 115.700 -0.020 0.000 2.469 406 S HA -0.111 4.397 4.470 0.065 0.000 0.238 406 S C 1.888 176.477 174.600 -0.019 0.000 0.998 406 S CA 0.720 58.909 58.200 -0.018 0.000 0.957 406 S CB -0.659 62.532 63.200 -0.015 0.000 0.764 406 S HN 0.463 nan 8.310 nan 0.000 0.514 407 L N 1.114 122.325 121.223 -0.020 0.000 2.083 407 L HA -0.081 4.298 4.340 0.065 0.000 0.209 407 L C 3.198 180.053 176.870 -0.024 0.000 1.083 407 L CA 1.119 55.948 54.840 -0.019 0.000 0.752 407 L CB -1.101 40.947 42.059 -0.017 0.000 0.899 407 L HN 0.482 nan 8.230 nan 0.000 0.433 408 A N 0.146 122.945 122.820 -0.035 0.000 1.997 408 A HA -0.252 4.107 4.320 0.065 0.000 0.221 408 A C 2.344 179.896 177.584 -0.052 0.000 1.172 408 A CA 2.482 54.488 52.037 -0.051 0.000 0.645 408 A CB -0.967 17.989 19.000 -0.073 0.000 0.813 408 A HN 0.450 nan 8.150 nan 0.000 0.454 409 T N 0.410 114.942 114.554 -0.037 0.000 2.759 409 T HA -0.072 4.317 4.350 0.065 0.000 0.269 409 T C 2.123 176.821 174.700 -0.003 0.000 1.042 409 T CA 1.506 63.596 62.100 -0.016 0.000 1.140 409 T CB -0.491 68.381 68.868 0.006 0.000 0.864 409 T HN 0.674 nan 8.240 nan 0.000 0.455 410 A N 1.198 124.014 122.820 -0.006 0.000 2.024 410 A HA 0.009 4.367 4.320 0.065 0.000 0.220 410 A C 2.159 179.742 177.584 -0.002 0.000 1.164 410 A CA 1.096 53.133 52.037 -0.000 0.000 0.643 410 A CB -0.803 18.196 19.000 -0.001 0.000 0.806 410 A HN 0.535 nan 8.150 nan 0.000 0.451 411 L N -0.651 120.564 121.223 -0.013 0.000 2.554 411 L HA -0.051 4.328 4.340 0.065 0.000 0.226 411 L C 2.163 179.028 176.870 -0.009 0.000 1.137 411 L CA -0.001 54.829 54.840 -0.016 0.000 0.863 411 L CB -0.281 41.760 42.059 -0.029 0.000 0.985 411 L HN 0.216 nan 8.230 nan 0.000 0.451 412 V N 0.884 120.799 119.914 0.001 0.000 2.233 412 V HA -0.190 3.969 4.120 0.065 0.000 0.247 412 V C -0.121 175.994 176.094 0.036 0.000 1.050 412 V CA 2.012 64.329 62.300 0.030 0.000 1.010 412 V CB -1.612 30.257 31.823 0.077 0.000 0.637 412 V HN 0.369 nan 8.190 nan 0.000 0.444 413 P HA -0.089 nan 4.420 nan 0.000 0.223 413 P C 1.532 178.843 177.300 0.018 0.000 1.144 413 P CA 1.118 64.233 63.100 0.025 0.000 0.783 413 P CB -0.058 31.654 31.700 0.020 0.000 0.771 414 V N -1.322 118.600 119.914 0.013 0.000 2.492 414 V HA -0.039 4.119 4.120 0.065 0.000 0.241 414 V C 1.971 178.070 176.094 0.008 0.000 1.041 414 V CA 1.618 63.923 62.300 0.008 0.000 1.057 414 V CB -0.470 31.355 31.823 0.003 0.000 0.711 414 V HN 0.026 nan 8.190 nan 0.000 0.468 415 V N -2.490 117.428 119.914 0.007 0.000 3.398 415 V HA 0.798 4.957 4.120 0.065 0.000 0.298 415 V C 0.635 176.738 176.094 0.015 0.000 1.496 415 V CA -0.018 62.286 62.300 0.006 0.000 1.044 415 V CB -0.388 31.431 31.823 -0.005 0.000 0.880 415 V HN 0.862 nan 8.190 nan 0.000 0.443 416 G N 0.112 108.930 108.800 0.030 0.000 2.733 416 G HA2 -0.309 3.690 3.960 0.065 0.000 0.686 416 G HA3 -0.309 3.690 3.960 0.065 0.000 0.686 416 G C -0.245 174.702 174.900 0.080 0.000 1.373 416 G CA 0.233 45.369 45.100 0.061 0.000 0.838 416 G HN 0.628 nan 8.290 nan 0.000 0.588 417 Y N 1.576 121.875 120.300 -0.000 0.000 2.081 417 Y HA -0.036 4.553 4.550 0.064 0.000 0.280 417 Y C 3.086 178.985 175.900 -0.001 0.000 1.163 417 Y CA 3.757 61.856 58.100 -0.001 0.000 1.135 417 Y CB -0.545 37.914 38.460 -0.001 0.000 0.970 417 Y HN 1.109 nan 8.280 nan 0.000 0.498 418 A N 0.351 123.264 122.820 0.154 0.000 1.892 418 A HA -0.269 4.090 4.320 0.065 0.000 0.218 418 A C 2.289 179.857 177.584 -0.026 0.000 1.188 418 A CA 2.256 54.337 52.037 0.074 0.000 0.631 418 A CB -0.730 18.322 19.000 0.086 0.000 0.822 418 A HN 0.562 nan 8.150 nan 0.000 0.447 419 R N -0.918 119.569 120.500 -0.022 0.000 2.090 419 R HA 0.030 4.408 4.340 0.065 0.000 0.228 419 R C 2.479 178.734 176.300 -0.076 0.000 1.110 419 R CA 1.010 57.088 56.100 -0.037 0.000 0.973 419 R CB -0.383 29.907 30.300 -0.017 0.000 0.869 419 R HN 0.529 nan 8.270 nan 0.000 0.440 420 A N 1.064 123.816 122.820 -0.113 0.000 1.902 420 A HA -0.113 4.245 4.320 0.065 0.000 0.217 420 A C 2.321 179.779 177.584 -0.210 0.000 1.181 420 A CA 1.693 53.638 52.037 -0.152 0.000 0.623 420 A CB -0.626 18.270 19.000 -0.174 0.000 0.818 420 A HN 0.390 nan 8.150 nan 0.000 0.443 421 A N -0.725 121.905 122.820 -0.317 0.000 1.930 421 A HA -0.122 4.237 4.320 0.065 0.000 0.217 421 A C 1.958 179.457 177.584 -0.141 0.000 1.175 421 A CA 1.656 53.518 52.037 -0.292 0.000 0.627 421 A CB -0.405 18.371 19.000 -0.374 0.000 0.815 421 A HN 0.414 nan 8.150 nan 0.000 0.443 422 E N -0.002 120.137 120.200 -0.102 0.000 2.110 422 E HA -0.150 4.238 4.350 0.065 0.000 0.193 422 E C 1.909 178.478 176.600 -0.052 0.000 0.988 422 E CA 0.979 57.345 56.400 -0.058 0.000 0.804 422 E CB -0.334 29.344 29.700 -0.038 0.000 0.745 422 E HN 0.734 nan 8.360 nan 0.000 0.458 423 I N 0.672 121.206 120.570 -0.061 0.000 2.202 423 I HA -0.259 3.950 4.170 0.065 0.000 0.242 423 I C 2.456 178.543 176.117 -0.049 0.000 1.091 423 I CA 1.061 62.332 61.300 -0.049 0.000 1.368 423 I CB -0.320 37.651 38.000 -0.049 0.000 1.058 423 I HN 0.003 nan 8.210 nan 0.000 0.410 424 A N 1.090 123.871 122.820 -0.066 0.000 1.883 424 A HA -0.309 4.050 4.320 0.065 0.000 0.217 424 A C 2.599 180.157 177.584 -0.044 0.000 1.186 424 A CA 2.831 54.833 52.037 -0.058 0.000 0.624 424 A CB -1.050 17.904 19.000 -0.077 0.000 0.822 424 A HN 0.382 nan 8.150 nan 0.000 0.444 425 K N -0.641 119.732 120.400 -0.045 0.000 2.057 425 K HA -0.165 4.193 4.320 0.065 0.000 0.207 425 K C 2.026 178.612 176.600 -0.024 0.000 1.049 425 K CA 1.895 58.164 56.287 -0.031 0.000 0.931 425 K CB -0.788 31.695 32.500 -0.028 0.000 0.714 425 K HN 0.744 nan 8.250 nan 0.000 0.440 426 Q N -0.889 118.895 119.800 -0.026 0.000 2.123 426 Q HA 0.076 4.455 4.340 0.065 0.000 0.199 426 Q C 2.613 178.602 176.000 -0.018 0.000 0.966 426 Q CA 1.137 56.928 55.803 -0.020 0.000 0.845 426 Q CB -0.193 28.534 28.738 -0.019 0.000 0.907 426 Q HN 0.646 nan 8.270 nan 0.000 0.439 427 A N 0.775 123.582 122.820 -0.021 0.000 1.883 427 A HA -0.210 4.149 4.320 0.065 0.000 0.217 427 A C 2.007 179.581 177.584 -0.016 0.000 1.186 427 A CA 1.283 53.308 52.037 -0.019 0.000 0.624 427 A CB -0.728 18.259 19.000 -0.022 0.000 0.822 427 A HN 0.370 nan 8.150 nan 0.000 0.444 428 L N -0.134 121.079 121.223 -0.018 0.000 1.989 428 L HA -0.124 4.254 4.340 0.065 0.000 0.211 428 L C 2.751 179.615 176.870 -0.011 0.000 1.071 428 L CA 2.436 57.268 54.840 -0.014 0.000 0.749 428 L CB -1.048 41.002 42.059 -0.015 0.000 0.890 428 L HN 0.373 nan 8.230 nan 0.000 0.431 429 A N -0.970 121.843 122.820 -0.011 0.000 1.892 429 A HA -0.263 4.096 4.320 0.065 0.000 0.218 429 A C 2.367 179.946 177.584 -0.008 0.000 1.188 429 A CA 2.630 54.662 52.037 -0.009 0.000 0.631 429 A CB -1.196 17.799 19.000 -0.009 0.000 0.822 429 A HN 0.682 nan 8.150 nan 0.000 0.447 430 S N -2.156 113.539 115.700 -0.009 0.000 2.575 430 S HA 0.388 4.897 4.470 0.065 0.000 0.215 430 S C 1.376 175.971 174.600 -0.008 0.000 0.966 430 S CA 1.078 59.273 58.200 -0.008 0.000 0.911 430 S CB -0.227 62.968 63.200 -0.009 0.000 0.780 430 S HN 2.028 nan 8.310 nan 0.000 0.514 431 G N 0.749 109.544 108.800 -0.009 0.000 2.168 431 G HA2 -0.273 3.726 3.960 0.065 0.000 0.257 431 G HA3 -0.273 3.726 3.960 0.065 0.000 0.257 431 G C -0.162 174.733 174.900 -0.009 0.000 0.997 431 G CA 0.418 45.513 45.100 -0.009 0.000 0.708 431 G HN 0.624 nan 8.290 nan 0.000 0.520 432 Q N 0.342 120.136 119.800 -0.010 0.000 2.221 432 Q HA 0.552 4.930 4.340 0.065 0.000 0.242 432 Q C 1.052 177.045 176.000 -0.013 0.000 0.940 432 Q CA 0.074 55.870 55.803 -0.011 0.000 0.896 432 Q CB 0.962 29.694 28.738 -0.011 0.000 1.226 432 Q HN 0.490 nan 8.270 nan 0.000 0.463 433 T N -2.324 112.223 114.554 -0.012 0.000 2.898 433 T HA 0.076 4.464 4.350 0.065 0.000 0.301 433 T C 1.294 175.985 174.700 -0.016 0.000 1.049 433 T CA -0.742 61.349 62.100 -0.013 0.000 1.095 433 T CB 0.647 69.508 68.868 -0.012 0.000 0.976 433 T HN 0.343 nan 8.240 nan 0.000 0.539 434 V N 2.360 122.263 119.914 -0.018 0.000 2.380 434 V HA -0.220 3.939 4.120 0.065 0.000 0.251 434 V C 2.645 178.729 176.094 -0.018 0.000 1.063 434 V CA 2.538 64.825 62.300 -0.021 0.000 1.055 434 V CB -1.050 30.759 31.823 -0.024 0.000 0.657 434 V HN 1.003 nan 8.190 nan 0.000 0.455 435 M N 0.223 119.814 119.600 -0.014 0.000 2.108 435 M HA -0.232 4.287 4.480 0.065 0.000 0.261 435 M C 1.997 178.290 176.300 -0.011 0.000 1.066 435 M CA 2.087 57.380 55.300 -0.011 0.000 1.107 435 M CB -0.387 32.207 32.600 -0.009 0.000 1.356 435 M HN 0.350 nan 8.290 nan 0.000 0.406 436 E N -0.893 119.301 120.200 -0.011 0.000 2.072 436 E HA -0.161 4.228 4.350 0.065 0.000 0.191 436 E C 1.944 178.537 176.600 -0.011 0.000 0.985 436 E CA 1.651 58.045 56.400 -0.010 0.000 0.801 436 E CB -0.207 29.487 29.700 -0.009 0.000 0.750 436 E HN 0.411 nan 8.360 nan 0.000 0.452 437 V N 1.286 121.192 119.914 -0.014 0.000 2.358 437 V HA -0.268 3.890 4.120 0.065 0.000 0.246 437 V C 2.299 178.384 176.094 -0.015 0.000 1.047 437 V CA 1.769 64.059 62.300 -0.015 0.000 1.035 437 V CB -0.763 31.048 31.823 -0.019 0.000 0.658 437 V HN 0.326 nan 8.190 nan 0.000 0.452 438 A N 0.110 122.921 122.820 -0.016 0.000 1.883 438 A HA -0.209 4.150 4.320 0.065 0.000 0.217 438 A C 2.207 179.784 177.584 -0.011 0.000 1.186 438 A CA 2.106 54.135 52.037 -0.015 0.000 0.624 438 A CB -0.587 18.404 19.000 -0.015 0.000 0.822 438 A HN 0.488 nan 8.150 nan 0.000 0.444 439 I N 0.578 121.142 120.570 -0.009 0.000 2.127 439 I HA -0.290 3.919 4.170 0.065 0.000 0.241 439 I C 2.832 178.945 176.117 -0.007 0.000 1.075 439 I CA 1.846 63.142 61.300 -0.007 0.000 1.334 439 I CB -0.346 37.650 38.000 -0.006 0.000 1.040 439 I HN 0.528 nan 8.210 nan 0.000 0.405 440 S N 0.418 116.114 115.700 -0.008 0.000 2.528 440 S HA -0.121 4.388 4.470 0.065 0.000 0.244 440 S C 1.602 176.197 174.600 -0.007 0.000 0.982 440 S CA 0.854 59.050 58.200 -0.007 0.000 0.953 440 S CB -0.208 62.987 63.200 -0.008 0.000 0.754 440 S HN 0.289 nan 8.310 nan 0.000 0.529 441 K N 0.683 121.078 120.400 -0.008 0.000 2.387 441 K HA 0.295 4.653 4.320 0.065 0.000 0.198 441 K C 1.254 177.850 176.600 -0.006 0.000 1.022 441 K CA 0.503 56.785 56.287 -0.008 0.000 1.128 441 K CB -0.200 32.293 32.500 -0.010 0.000 0.853 441 K HN 0.567 nan 8.250 nan 0.000 0.523 442 G N 1.637 110.434 108.800 -0.006 0.000 2.137 442 G HA2 -0.246 3.753 3.960 0.065 0.000 0.237 442 G HA3 -0.246 3.753 3.960 0.065 0.000 0.237 442 G C -0.044 174.854 174.900 -0.004 0.000 1.002 442 G CA -0.123 44.974 45.100 -0.004 0.000 0.702 442 G HN 0.215 nan 8.290 nan 0.000 0.515 443 L N 0.629 121.849 121.223 -0.005 0.000 2.418 443 L HA 0.408 4.787 4.340 0.065 0.000 0.265 443 L C 0.736 177.604 176.870 -0.004 0.000 1.143 443 L CA -0.743 54.094 54.840 -0.004 0.000 0.809 443 L CB 0.792 42.848 42.059 -0.006 0.000 1.124 443 L HN 0.237 nan 8.230 nan 0.000 0.456 444 D N 1.135 121.533 120.400 -0.003 0.000 2.304 444 D HA 0.151 4.830 4.640 0.065 0.000 0.250 444 D C 0.563 176.862 176.300 -0.002 0.000 1.107 444 D CA 0.012 54.011 54.000 -0.002 0.000 0.885 444 D CB 2.051 42.850 40.800 -0.001 0.000 1.192 444 D HN 0.625 nan 8.370 nan 0.000 0.436 445 A N 3.166 125.985 122.820 -0.002 0.000 1.902 445 A HA -0.177 4.182 4.320 0.065 0.000 0.217 445 A C 2.151 179.735 177.584 -0.001 0.000 1.181 445 A CA 2.013 54.049 52.037 -0.002 0.000 0.623 445 A CB -0.604 18.394 19.000 -0.002 0.000 0.818 445 A HN 0.673 nan 8.150 nan 0.000 0.443 446 S N -0.220 115.480 115.700 -0.000 0.000 2.453 446 S HA 0.205 4.713 4.470 0.065 0.000 0.231 446 S C 1.969 176.569 174.600 0.001 0.000 1.005 446 S CA 1.037 59.237 58.200 0.001 0.000 0.949 446 S CB -0.389 62.811 63.200 0.001 0.000 0.774 446 S HN 0.780 nan 8.310 nan 0.000 0.510 447 A N 2.208 125.028 122.820 0.001 0.000 1.872 447 A HA 0.256 4.614 4.320 0.065 0.000 0.214 447 A C 2.254 179.838 177.584 0.001 0.000 1.187 447 A CA 1.112 53.150 52.037 0.001 0.000 0.614 447 A CB -0.833 18.167 19.000 0.000 0.000 0.826 447 A HN 0.500 nan 8.150 nan 0.000 0.442 448 L N -0.487 120.736 121.223 -0.001 0.000 2.141 448 L HA -0.149 4.229 4.340 0.065 0.000 0.209 448 L C 2.731 179.601 176.870 -0.000 0.000 1.094 448 L CA 1.550 56.389 54.840 -0.001 0.000 0.763 448 L CB -0.849 41.208 42.059 -0.004 0.000 0.908 448 L HN 0.347 nan 8.230 nan 0.000 0.437 449 T N 0.420 114.975 114.554 0.001 0.000 2.653 449 T HA -0.243 4.146 4.350 0.065 0.000 0.268 449 T C 1.844 176.547 174.700 0.005 0.000 1.035 449 T CA 1.799 63.901 62.100 0.002 0.000 1.154 449 T CB -0.268 68.601 68.868 0.003 0.000 0.862 449 T HN 0.215 nan 8.240 nan 0.000 0.441 450 I N 0.309 120.882 120.570 0.005 0.000 2.163 450 I HA -0.151 4.058 4.170 0.065 0.000 0.240 450 I C 2.558 178.680 176.117 0.008 0.000 1.081 450 I CA 1.354 62.658 61.300 0.008 0.000 1.353 450 I CB -0.350 37.654 38.000 0.007 0.000 1.054 450 I HN 0.216 nan 8.210 nan 0.000 0.407 451 M N -0.016 119.588 119.600 0.006 0.000 2.117 451 M HA -0.183 4.336 4.480 0.065 0.000 0.262 451 M C 1.687 177.990 176.300 0.004 0.000 1.065 451 M CA 1.782 57.086 55.300 0.005 0.000 1.114 451 M CB -0.224 32.377 32.600 0.002 0.000 1.361 451 M HN 0.191 nan 8.290 nan 0.000 0.408 452 L N -0.421 120.803 121.223 0.002 0.000 2.685 452 L HA 0.123 4.502 4.340 0.065 0.000 0.233 452 L C 0.112 176.984 176.870 0.003 0.000 1.173 452 L CA -0.539 54.301 54.840 -0.000 0.000 0.961 452 L CB -0.569 41.487 42.059 -0.005 0.000 1.217 452 L HN 0.088 nan 8.230 nan 0.000 0.478 453 D N 1.948 122.353 120.400 0.009 0.000 2.426 453 D HA 0.002 4.681 4.640 0.065 0.000 0.261 453 D C -1.450 174.859 176.300 0.014 0.000 1.245 453 D CA -1.405 52.604 54.000 0.014 0.000 0.917 453 D CB 1.421 42.235 40.800 0.023 0.000 1.123 453 D HN -0.010 nan 8.370 nan 0.000 0.508 454 P HA -0.087 nan 4.420 nan 0.000 0.219 454 P C 1.470 178.773 177.300 0.004 0.000 1.150 454 P CA 0.147 63.246 63.100 -0.002 0.000 0.814 454 P CB 0.250 31.943 31.700 -0.010 0.000 0.787 455 L N -0.420 120.823 121.223 0.033 0.000 2.201 455 L HA -0.026 4.353 4.340 0.065 0.000 0.212 455 L C 2.259 179.210 176.870 0.136 0.000 1.105 455 L CA 1.655 56.545 54.840 0.083 0.000 0.775 455 L CB -0.683 41.447 42.059 0.117 0.000 0.913 455 L HN -0.210 nan 8.230 nan 0.000 0.440 456 R N -1.536 119.019 120.500 0.092 0.000 2.148 456 R HA -0.050 4.329 4.340 0.065 0.000 0.223 456 R C 2.080 178.423 176.300 0.071 0.000 1.088 456 R CA 1.506 57.663 56.100 0.095 0.000 0.985 456 R CB -0.216 30.120 30.300 0.059 0.000 0.880 456 R HN 0.393 nan 8.270 nan 0.000 0.451 457 M N -0.718 118.899 119.600 0.029 0.000 2.288 457 M HA 0.038 4.556 4.480 0.065 0.000 0.266 457 M C 2.328 178.604 176.300 -0.040 0.000 1.072 457 M CA 1.145 56.444 55.300 -0.000 0.000 1.132 457 M CB 0.037 32.630 32.600 -0.012 0.000 1.386 457 M HN 0.154 nan 8.290 nan 0.000 0.432 458 A N 0.092 122.854 122.820 -0.097 0.000 1.969 458 A HA -0.005 4.353 4.320 0.065 0.000 0.218 458 A C 0.455 177.833 177.584 -0.343 0.000 1.169 458 A CA 0.977 52.854 52.037 -0.268 0.000 0.635 458 A CB -0.270 18.482 19.000 -0.413 0.000 0.810 458 A HN 0.356 nan 8.150 nan 0.000 0.445 459 F N 1.420 121.368 119.950 -0.003 0.000 2.325 459 F HA 0.383 4.950 4.527 0.066 0.000 0.369 459 F C -1.929 173.870 175.800 -0.002 0.000 1.095 459 F CA -3.174 54.825 58.000 -0.003 0.000 1.082 459 F CB 0.984 39.983 39.000 -0.001 0.000 1.289 459 F HN 0.067 nan 8.300 nan 0.000 0.462 460 P HA 0.227 nan 4.420 nan 0.000 0.271 460 P C -2.186 175.175 177.300 0.102 0.000 1.233 460 P CA -0.768 62.397 63.100 0.109 0.000 0.789 460 P CB 0.033 31.777 31.700 0.073 0.000 0.951 461 P HA 0.000 nan 4.420 nan 0.000 0.216 461 P CA 0.000 63.121 63.100 0.035 0.000 0.800 461 P CB 0.000 31.715 31.700 0.024 0.000 0.726