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 2iu0_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.304 176.300 0.006 0.000 0.893 4 R CA 0.000 56.105 56.100 0.008 0.000 0.921 4 R CB 0.000 30.309 30.300 0.016 0.000 0.687 5 Q N 1.466 121.268 119.800 0.004 0.000 2.256 5 Q HA 0.227 4.567 4.340 -0.000 0.000 0.254 5 Q C -0.833 175.167 176.000 -0.000 0.000 0.916 5 Q CA -0.431 55.371 55.803 -0.002 0.000 0.932 5 Q CB 1.423 30.157 28.738 -0.007 0.000 1.207 5 Q HN 0.456 nan 8.270 nan 0.000 0.426 6 Q N 2.695 122.493 119.800 -0.005 0.000 2.354 6 Q HA 0.333 4.673 4.340 -0.000 0.000 0.244 6 Q C -0.239 175.751 176.000 -0.017 0.000 0.969 6 Q CA -0.087 55.713 55.803 -0.005 0.000 0.885 6 Q CB 1.048 29.783 28.738 -0.006 0.000 1.241 6 Q HN 0.591 nan 8.270 nan 0.000 0.461 7 L N -0.054 121.157 121.223 -0.019 0.000 2.578 7 L HA 0.826 5.166 4.340 -0.000 0.000 0.259 7 L C -0.313 176.531 176.870 -0.044 0.000 1.082 7 L CA -1.167 53.654 54.840 -0.032 0.000 0.843 7 L CB 0.797 42.838 42.059 -0.031 0.000 1.535 7 L HN 0.632 nan 8.230 nan 0.000 0.510 8 A N 1.440 124.227 122.820 -0.054 0.000 2.768 8 A HA 0.501 4.821 4.320 -0.000 0.000 0.298 8 A C -1.202 176.348 177.584 -0.057 0.000 1.159 8 A CA -0.303 51.697 52.037 -0.063 0.000 0.783 8 A CB 0.730 19.672 19.000 -0.098 0.000 1.333 8 A HN 0.405 nan 8.150 nan 0.000 0.412 9 L N 3.182 124.376 121.223 -0.049 0.000 2.395 9 L HA 0.859 5.199 4.340 -0.000 0.000 0.269 9 L C -0.704 176.146 176.870 -0.033 0.000 1.133 9 L CA -0.166 54.644 54.840 -0.050 0.000 0.812 9 L CB 1.159 43.178 42.059 -0.067 0.000 1.125 9 L HN 0.718 nan 8.230 nan 0.000 0.452 10 L N 1.829 123.034 121.223 -0.029 0.000 2.611 10 L HA 0.654 4.993 4.340 -0.000 0.000 0.260 10 L C -0.723 176.143 176.870 -0.007 0.000 0.924 10 L CA -0.569 54.267 54.840 -0.008 0.000 0.901 10 L CB 1.440 43.502 42.059 0.005 0.000 1.369 10 L HN 0.446 nan 8.230 nan 0.000 0.415 11 S N 1.968 117.670 115.700 0.004 0.000 2.383 11 S HA 0.709 5.179 4.470 -0.000 0.000 0.196 11 S C -0.591 174.023 174.600 0.023 0.000 1.364 11 S CA -0.204 58.000 58.200 0.006 0.000 1.212 11 S CB 0.555 63.753 63.200 -0.005 0.000 1.171 11 S HN 1.258 nan 8.310 nan 0.000 0.456 12 V N 2.584 122.520 119.914 0.036 0.000 2.617 12 V HA 0.742 4.862 4.120 -0.000 0.000 0.298 12 V C 1.087 177.215 176.094 0.056 0.000 1.048 12 V CA -0.089 62.246 62.300 0.058 0.000 0.964 12 V CB 1.398 33.273 31.823 0.086 0.000 1.004 12 V HN 0.646 nan 8.190 nan 0.000 0.466 13 S N 1.214 116.960 115.700 0.077 0.000 2.460 13 S HA 0.097 4.567 4.470 -0.000 0.000 0.226 13 S C 0.971 175.621 174.600 0.083 0.000 1.057 13 S CA 0.639 58.889 58.200 0.083 0.000 0.948 13 S CB -0.168 63.123 63.200 0.151 0.000 0.822 13 S HN 0.947 nan 8.310 nan 0.000 0.512 14 E N 1.692 121.953 120.200 0.102 0.000 1.993 14 E HA 0.321 4.671 4.350 -0.000 0.000 0.271 14 E C 0.132 176.795 176.600 0.104 0.000 1.008 14 E CA -0.051 56.407 56.400 0.097 0.000 0.814 14 E CB 0.728 30.483 29.700 0.092 0.000 1.098 14 E HN 0.300 nan 8.360 nan 0.000 0.407 15 K N 2.368 122.815 120.400 0.078 0.000 2.504 15 K HA 0.149 4.468 4.320 -0.000 0.000 0.195 15 K C 0.595 177.249 176.600 0.090 0.000 1.036 15 K CA 0.495 56.825 56.287 0.072 0.000 0.984 15 K CB 0.130 32.653 32.500 0.038 0.000 0.788 15 K HN 0.470 nan 8.250 nan 0.000 0.488 16 A N 0.819 123.702 122.820 0.106 0.000 2.565 16 A HA 0.302 4.622 4.320 -0.000 0.000 0.237 16 A C 1.567 179.276 177.584 0.207 0.000 1.053 16 A CA 0.718 52.825 52.037 0.115 0.000 0.755 16 A CB -0.639 18.416 19.000 0.091 0.000 0.980 16 A HN 0.527 nan 8.150 nan 0.000 0.506 17 G N 1.118 110.009 108.800 0.152 0.000 2.343 17 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 17 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 17 G C 1.004 175.864 174.900 -0.068 0.000 0.989 17 G CA 1.265 46.459 45.100 0.158 0.000 0.627 17 G HN 1.730 nan 8.290 nan 0.000 0.549 18 L N 1.198 122.381 121.223 -0.066 0.000 1.978 18 L HA -0.164 4.175 4.340 -0.000 0.000 0.235 18 L C 2.901 179.690 176.870 -0.134 0.000 1.094 18 L CA 3.125 57.855 54.840 -0.184 0.000 0.814 18 L CB -1.318 40.718 42.059 -0.039 0.000 0.911 18 L HN 0.453 nan 8.230 nan 0.000 0.442 19 V N -0.222 119.658 119.914 -0.057 0.000 2.232 19 V HA -0.432 3.688 4.120 -0.000 0.000 0.254 19 V C 2.672 178.746 176.094 -0.032 0.000 1.058 19 V CA 2.432 64.709 62.300 -0.039 0.000 1.048 19 V CB -0.895 30.918 31.823 -0.018 0.000 0.668 19 V HN 0.632 nan 8.190 nan 0.000 0.462 20 E N -0.926 119.269 120.200 -0.009 0.000 2.273 20 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 20 E C 1.686 178.319 176.600 0.055 0.000 1.002 20 E CA 1.168 57.578 56.400 0.018 0.000 0.828 20 E CB -0.354 29.367 29.700 0.036 0.000 0.747 20 E HN 0.625 nan 8.360 nan 0.000 0.491 21 F N -0.015 119.817 119.950 -0.197 0.000 2.187 21 F HA 0.117 4.644 4.527 -0.000 0.000 0.295 21 F C 2.041 177.741 175.800 -0.168 0.000 1.091 21 F CA 1.013 58.878 58.000 -0.226 0.000 1.308 21 F CB -0.732 37.963 39.000 -0.508 0.000 1.030 21 F HN 0.034 nan 8.300 nan 0.000 0.487 22 A N 0.930 123.662 122.820 -0.147 0.000 2.024 22 A HA -0.163 4.156 4.320 -0.000 0.000 0.220 22 A C 2.382 179.868 177.584 -0.162 0.000 1.164 22 A CA 1.099 53.024 52.037 -0.187 0.000 0.643 22 A CB -0.547 18.387 19.000 -0.110 0.000 0.806 22 A HN 0.256 nan 8.150 nan 0.000 0.451 23 R N 0.599 121.033 120.500 -0.109 0.000 2.147 23 R HA -0.159 4.181 4.340 -0.000 0.000 0.225 23 R C 2.677 178.914 176.300 -0.105 0.000 1.120 23 R CA 2.012 58.065 56.100 -0.078 0.000 0.891 23 R CB -1.481 28.797 30.300 -0.037 0.000 0.822 23 R HN 0.713 nan 8.270 nan 0.000 0.433 24 S N 1.425 117.061 115.700 -0.107 0.000 2.392 24 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 24 S C 2.310 176.803 174.600 -0.178 0.000 1.041 24 S CA 1.392 59.523 58.200 -0.115 0.000 1.026 24 S CB -0.792 62.361 63.200 -0.079 0.000 0.845 24 S HN 0.238 nan 8.310 nan 0.000 0.465 25 L N 2.295 123.344 121.223 -0.290 0.000 1.943 25 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 25 L C 3.033 179.805 176.870 -0.165 0.000 1.074 25 L CA 2.110 56.779 54.840 -0.284 0.000 0.759 25 L CB -0.967 40.875 42.059 -0.362 0.000 0.888 25 L HN 0.513 nan 8.230 nan 0.000 0.433 26 N N 0.465 119.081 118.700 -0.140 0.000 2.149 26 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 26 N C 1.537 177.003 175.510 -0.074 0.000 1.019 26 N CA 1.362 54.356 53.050 -0.093 0.000 0.857 26 N CB 0.076 38.516 38.487 -0.079 0.000 0.997 26 N HN 0.352 nan 8.380 nan 0.000 0.426 27 A N 0.037 122.811 122.820 -0.077 0.000 2.252 27 A HA 0.093 4.413 4.320 -0.000 0.000 0.207 27 A C 1.267 178.819 177.584 -0.053 0.000 1.194 27 A CA 0.267 52.271 52.037 -0.056 0.000 0.809 27 A CB 0.002 18.973 19.000 -0.049 0.000 0.814 27 A HN 0.316 nan 8.150 nan 0.000 0.482 28 L N -2.431 118.753 121.223 -0.066 0.000 3.069 28 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 28 L C 1.368 178.208 176.870 -0.049 0.000 1.201 28 L CA 1.061 55.868 54.840 -0.056 0.000 1.015 28 L CB 0.385 42.402 42.059 -0.071 0.000 1.371 28 L HN 0.503 nan 8.230 nan 0.000 0.574 29 G N -0.419 108.351 108.800 -0.049 0.000 3.211 29 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.206 29 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.206 29 G C 0.305 175.177 174.900 -0.047 0.000 1.418 29 G CA -0.150 44.926 45.100 -0.040 0.000 0.958 29 G HN 0.067 nan 8.290 nan 0.000 0.567 30 L N 2.509 123.698 121.223 -0.058 0.000 2.822 30 L HA 0.246 4.586 4.340 -0.000 0.000 0.288 30 L C 1.457 178.288 176.870 -0.065 0.000 1.182 30 L CA 0.589 55.391 54.840 -0.064 0.000 0.936 30 L CB -0.315 41.691 42.059 -0.088 0.000 1.269 30 L HN 0.551 nan 8.230 nan 0.000 0.476 31 G N 5.848 114.619 108.800 -0.049 0.000 2.356 31 G HA2 0.448 4.408 3.960 -0.000 0.000 0.300 31 G HA3 0.448 4.408 3.960 -0.000 0.000 0.300 31 G C 0.218 175.087 174.900 -0.051 0.000 1.107 31 G CA -0.746 44.327 45.100 -0.045 0.000 0.960 31 G HN 0.485 nan 8.290 nan 0.000 0.418 32 L N 1.646 122.833 121.223 -0.059 0.000 2.499 32 L HA 0.299 4.639 4.340 -0.000 0.000 0.281 32 L C 0.224 177.065 176.870 -0.048 0.000 1.234 32 L CA 0.018 54.822 54.840 -0.061 0.000 0.839 32 L CB 0.431 42.451 42.059 -0.064 0.000 1.104 32 L HN 0.483 nan 8.230 nan 0.000 0.500 33 I N 1.768 122.309 120.570 -0.047 0.000 2.685 33 I HA 0.747 4.916 4.170 -0.000 0.000 0.289 33 I C -0.848 175.243 176.117 -0.042 0.000 1.292 33 I CA 0.138 61.413 61.300 -0.043 0.000 1.050 33 I CB 1.705 39.678 38.000 -0.046 0.000 1.301 33 I HN 0.835 nan 8.210 nan 0.000 0.425 34 A N 4.220 127.019 122.820 -0.036 0.000 2.410 34 A HA 0.909 5.229 4.320 -0.000 0.000 0.300 34 A C -1.035 176.534 177.584 -0.025 0.000 1.077 34 A CA 0.074 52.092 52.037 -0.032 0.000 0.610 34 A CB 0.599 19.583 19.000 -0.027 0.000 1.371 34 A HN 1.647 nan 8.150 nan 0.000 0.510 35 S N -1.585 114.104 115.700 -0.019 0.000 3.287 35 S HA 0.851 5.321 4.470 -0.000 0.000 0.324 35 S C 0.979 175.574 174.600 -0.008 0.000 1.205 35 S CA 0.543 58.735 58.200 -0.013 0.000 1.020 35 S CB 0.193 63.386 63.200 -0.011 0.000 1.398 35 S HN 2.917 nan 8.310 nan 0.000 0.679 36 G N 0.328 109.126 108.800 -0.003 0.000 2.625 36 G HA2 0.011 3.971 3.960 -0.000 0.000 0.311 36 G HA3 0.011 3.971 3.960 -0.000 0.000 0.311 36 G C 1.029 175.927 174.900 -0.003 0.000 1.324 36 G CA 0.395 45.495 45.100 -0.001 0.000 0.918 36 G HN 1.959 nan 8.290 nan 0.000 0.556 37 G N -1.764 107.034 108.800 -0.003 0.000 2.499 37 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.221 37 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.221 37 G C 1.782 176.679 174.900 -0.004 0.000 1.109 37 G CA 2.260 47.356 45.100 -0.006 0.000 0.749 37 G HN 1.044 nan 8.290 nan 0.000 0.568 38 T N 1.233 115.785 114.554 -0.002 0.000 2.737 38 T HA 0.105 4.454 4.350 -0.000 0.000 0.265 38 T C 2.838 177.534 174.700 -0.007 0.000 1.038 38 T CA 1.393 63.493 62.100 -0.001 0.000 1.144 38 T CB -0.282 68.588 68.868 0.003 0.000 0.866 38 T HN 0.374 nan 8.240 nan 0.000 0.434 39 A N 1.868 124.682 122.820 -0.009 0.000 1.840 39 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 39 A C 1.979 179.556 177.584 -0.012 0.000 1.198 39 A CA 1.564 53.593 52.037 -0.014 0.000 0.608 39 A CB -1.234 17.757 19.000 -0.014 0.000 0.839 39 A HN 0.545 nan 8.150 nan 0.000 0.443 40 T N -2.435 112.114 114.554 -0.009 0.000 4.282 40 T HA 0.502 4.852 4.350 -0.000 0.000 0.231 40 T C 0.285 174.980 174.700 -0.008 0.000 1.004 40 T CA 0.566 62.661 62.100 -0.008 0.000 1.146 40 T CB 0.002 68.866 68.868 -0.006 0.000 1.285 40 T HN 1.361 nan 8.240 nan 0.000 0.971 41 A N 1.801 124.615 122.820 -0.009 0.000 2.400 41 A HA 0.253 4.572 4.320 -0.000 0.000 0.216 41 A C 1.139 178.716 177.584 -0.011 0.000 2.857 41 A CA -0.154 51.878 52.037 -0.008 0.000 1.527 41 A CB -0.492 18.504 19.000 -0.006 0.000 0.336 41 A HN 0.568 nan 8.150 nan 0.000 0.532 42 L N 0.190 121.404 121.223 -0.015 0.000 2.347 42 L HA 0.115 4.455 4.340 -0.000 0.000 0.196 42 L C 2.648 179.506 176.870 -0.020 0.000 1.072 42 L CA 1.061 55.888 54.840 -0.021 0.000 0.817 42 L CB -0.327 41.717 42.059 -0.027 0.000 1.029 42 L HN 0.535 nan 8.230 nan 0.000 0.478 43 R N 0.067 120.556 120.500 -0.018 0.000 2.075 43 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 43 R C 0.940 177.232 176.300 -0.014 0.000 1.126 43 R CA 1.739 57.829 56.100 -0.017 0.000 0.963 43 R CB -0.903 29.387 30.300 -0.015 0.000 0.858 43 R HN 0.178 nan 8.270 nan 0.000 0.435 44 D N 0.893 121.286 120.400 -0.012 0.000 2.390 44 D HA 0.011 4.651 4.640 -0.000 0.000 0.235 44 D C 0.659 176.954 176.300 -0.009 0.000 1.040 44 D CA 1.074 55.068 54.000 -0.009 0.000 0.923 44 D CB 0.450 41.245 40.800 -0.008 0.000 0.886 44 D HN 0.508 nan 8.370 nan 0.000 0.532 45 A N -0.462 122.351 122.820 -0.012 0.000 2.571 45 A HA 0.566 4.886 4.320 -0.000 0.000 0.274 45 A C 1.331 178.907 177.584 -0.014 0.000 1.196 45 A CA 0.086 52.116 52.037 -0.012 0.000 0.957 45 A CB -0.070 18.922 19.000 -0.013 0.000 1.150 45 A HN 0.120 nan 8.150 nan 0.000 0.539 46 G N -0.029 108.763 108.800 -0.014 0.000 2.289 46 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 46 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 46 G C -0.333 174.555 174.900 -0.019 0.000 1.089 46 G CA 0.510 45.601 45.100 -0.015 0.000 0.939 46 G HN 0.593 nan 8.290 nan 0.000 0.499 47 L N 0.363 121.572 121.223 -0.022 0.000 2.401 47 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 47 L C -1.916 174.937 176.870 -0.028 0.000 0.991 47 L CA -2.419 52.404 54.840 -0.029 0.000 0.818 47 L CB 2.924 44.962 42.059 -0.036 0.000 1.321 47 L HN -0.008 nan 8.230 nan 0.000 0.413 48 P HA 0.050 nan 4.420 nan 0.000 0.263 48 P C -0.796 176.485 177.300 -0.032 0.000 1.601 48 P CA 0.151 63.234 63.100 -0.028 0.000 1.161 48 P CB 0.865 32.548 31.700 -0.028 0.000 1.730 49 V N 5.430 125.327 119.914 -0.028 0.000 2.487 49 V HA 0.421 4.541 4.120 -0.000 0.000 0.298 49 V C -0.161 175.918 176.094 -0.025 0.000 1.028 49 V CA -0.943 61.339 62.300 -0.030 0.000 0.860 49 V CB 1.837 33.642 31.823 -0.031 0.000 0.991 49 V HN 0.324 nan 8.190 nan 0.000 0.427 50 R N 4.298 124.782 120.500 -0.026 0.000 2.598 50 R HA 0.446 4.786 4.340 -0.000 0.000 0.279 50 R C -0.584 175.702 176.300 -0.024 0.000 0.984 50 R CA -0.789 55.297 56.100 -0.022 0.000 0.999 50 R CB 1.419 31.707 30.300 -0.021 0.000 1.114 50 R HN 0.767 nan 8.270 nan 0.000 0.493 51 D N 0.994 121.382 120.400 -0.021 0.000 2.313 51 D HA 0.016 4.656 4.640 -0.000 0.000 0.247 51 D C 1.209 177.492 176.300 -0.029 0.000 1.094 51 D CA -0.200 53.787 54.000 -0.022 0.000 0.925 51 D CB 1.702 42.493 40.800 -0.014 0.000 1.188 51 D HN 0.153 nan 8.370 nan 0.000 0.430 52 V N 2.755 122.647 119.914 -0.035 0.000 2.324 52 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 52 V C 2.559 178.621 176.094 -0.053 0.000 1.060 52 V CA 2.069 64.337 62.300 -0.053 0.000 1.042 52 V CB -0.884 30.906 31.823 -0.055 0.000 0.650 52 V HN 0.638 nan 8.190 nan 0.000 0.450 53 S N 1.097 116.781 115.700 -0.027 0.000 2.365 53 S HA -0.314 4.156 4.470 -0.000 0.000 0.225 53 S C 1.892 176.482 174.600 -0.016 0.000 1.039 53 S CA 2.256 60.450 58.200 -0.010 0.000 1.033 53 S CB -0.623 62.584 63.200 0.010 0.000 0.887 53 S HN 0.896 nan 8.310 nan 0.000 0.447 54 D N 0.148 120.539 120.400 -0.015 0.000 2.263 54 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 54 D C 1.789 178.083 176.300 -0.010 0.000 0.971 54 D CA 0.961 54.955 54.000 -0.010 0.000 0.867 54 D CB -0.341 40.454 40.800 -0.009 0.000 0.929 54 D HN 0.439 nan 8.370 nan 0.000 0.492 55 L N 0.116 121.322 121.223 -0.029 0.000 2.162 55 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 55 L C 2.353 179.182 176.870 -0.068 0.000 1.086 55 L CA 1.917 56.739 54.840 -0.029 0.000 0.778 55 L CB -0.826 41.200 42.059 -0.054 0.000 0.928 55 L HN 0.344 nan 8.230 nan 0.000 0.446 56 T N -4.127 110.332 114.554 -0.158 0.000 2.937 56 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 56 T C 1.623 176.253 174.700 -0.117 0.000 1.051 56 T CA 0.611 62.483 62.100 -0.379 0.000 1.141 56 T CB -0.467 68.140 68.868 -0.435 0.000 0.879 56 T HN 0.532 nan 8.240 nan 0.000 0.459 57 G N 0.833 109.625 108.800 -0.013 0.000 2.148 57 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 57 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 57 G C -0.117 174.797 174.900 0.023 0.000 0.981 57 G CA 0.075 45.186 45.100 0.017 0.000 0.670 57 G HN 0.594 nan 8.290 nan 0.000 0.528 58 F N 2.739 122.655 119.950 -0.057 0.000 2.405 58 F HA 0.504 5.031 4.527 -0.000 0.000 0.355 58 F C -1.430 174.370 175.800 0.000 0.000 1.121 58 F CA -2.203 55.797 58.000 -0.000 0.000 1.112 58 F CB 1.663 40.684 39.000 0.035 0.000 1.126 58 F HN -0.070 nan 8.300 nan 0.000 0.481 59 P HA 0.040 nan 4.420 nan 0.000 0.273 59 P C -0.554 176.835 177.300 0.149 0.000 1.319 59 P CA -0.063 63.074 63.100 0.062 0.000 0.885 59 P CB 0.357 32.042 31.700 -0.025 0.000 1.015 60 E N 2.911 123.188 120.200 0.129 0.000 2.680 60 E HA -0.053 4.297 4.350 -0.000 0.000 0.278 60 E C 0.138 176.802 176.600 0.107 0.000 1.018 60 E CA 0.922 57.392 56.400 0.116 0.000 0.991 60 E CB 0.103 29.845 29.700 0.069 0.000 1.006 60 E HN 0.480 nan 8.360 nan 0.000 0.464 61 M N 0.912 120.571 119.600 0.099 0.000 2.575 61 M HA 0.240 4.719 4.480 -0.000 0.000 0.284 61 M C -0.205 176.132 176.300 0.062 0.000 1.253 61 M CA -0.627 54.723 55.300 0.083 0.000 0.861 61 M CB 1.624 34.287 32.600 0.105 0.000 1.733 61 M HN 0.431 nan 8.290 nan 0.000 0.462 62 L N 0.245 121.499 121.223 0.052 0.000 3.970 62 L HA -0.295 4.045 4.340 -0.000 0.000 0.425 62 L C 0.695 177.590 176.870 0.042 0.000 1.162 62 L CA 0.701 55.567 54.840 0.045 0.000 0.968 62 L CB -3.041 39.045 42.059 0.045 0.000 1.896 62 L HN 1.219 nan 8.230 nan 0.000 1.006 63 G N -0.835 107.989 108.800 0.041 0.000 2.553 63 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.242 63 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.242 63 G C 0.431 175.352 174.900 0.036 0.000 1.277 63 G CA -0.016 45.105 45.100 0.036 0.000 0.910 63 G HN 1.075 nan 8.290 nan 0.000 0.576 64 G N 0.603 109.422 108.800 0.031 0.000 3.084 64 G HA2 0.445 4.405 3.960 -0.000 0.000 0.254 64 G HA3 0.445 4.405 3.960 -0.000 0.000 0.254 64 G C 0.567 175.485 174.900 0.030 0.000 0.834 64 G CA 0.930 46.046 45.100 0.028 0.000 1.999 64 G HN 0.689 nan 8.290 nan 0.000 0.611 65 R N -0.712 119.808 120.500 0.033 0.000 2.837 65 R HA 0.465 4.805 4.340 -0.000 0.000 0.271 65 R C 0.661 176.976 176.300 0.024 0.000 0.993 65 R CA -1.052 55.067 56.100 0.032 0.000 0.931 65 R CB 1.955 32.278 30.300 0.037 0.000 1.206 65 R HN 0.039 nan 8.270 nan 0.000 0.474 66 V N -0.147 119.776 119.914 0.016 0.000 1.760 66 V HA -0.431 3.689 4.120 -0.000 0.000 0.061 66 V C 1.754 177.839 176.094 -0.016 0.000 0.458 66 V CA 2.343 64.641 62.300 -0.005 0.000 1.448 66 V CB -1.979 29.831 31.823 -0.021 0.000 1.714 66 V HN 0.990 nan 8.190 nan 0.000 0.815 67 K N 1.192 121.594 120.400 0.003 0.000 2.362 67 K HA -0.132 4.188 4.320 -0.000 0.000 0.200 67 K C 1.591 178.176 176.600 -0.024 0.000 1.046 67 K CA 1.755 58.042 56.287 0.000 0.000 0.952 67 K CB -0.360 32.147 32.500 0.011 0.000 0.753 67 K HN 0.781 nan 8.250 nan 0.000 0.466 68 T N -1.462 113.079 114.554 -0.021 0.000 2.990 68 T HA 0.210 4.559 4.350 -0.000 0.000 0.249 68 T C 1.039 175.725 174.700 -0.022 0.000 1.039 68 T CA -0.412 61.654 62.100 -0.055 0.000 1.036 68 T CB -0.061 68.774 68.868 -0.055 0.000 0.994 68 T HN 0.081 nan 8.240 nan 0.000 0.489 69 L N 3.128 124.388 121.223 0.063 0.000 2.511 69 L HA 0.308 4.648 4.340 -0.000 0.000 0.239 69 L C 0.184 177.104 176.870 0.083 0.000 1.400 69 L CA -0.175 54.755 54.840 0.150 0.000 1.226 69 L CB -0.642 41.452 42.059 0.058 0.000 1.475 69 L HN 0.414 nan 8.230 nan 0.000 0.428 70 H N 1.863 120.920 119.070 -0.022 0.000 2.771 70 H HA 0.264 4.820 4.556 -0.000 0.000 0.361 70 H C -2.126 173.151 175.328 -0.086 0.000 1.108 70 H CA -1.810 54.175 56.048 -0.105 0.000 1.201 70 H CB 2.874 32.529 29.762 -0.177 0.000 1.681 70 H HN -0.068 nan 8.280 nan 0.000 0.534 71 P HA -0.215 nan 4.420 nan 0.000 0.217 71 P C 1.167 178.302 177.300 -0.276 0.000 1.148 71 P CA 1.999 65.011 63.100 -0.146 0.000 0.834 71 P CB 0.050 31.654 31.700 -0.160 0.000 0.783 72 A N -0.118 122.643 122.820 -0.098 0.000 1.892 72 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 72 A C 2.523 179.779 177.584 -0.547 0.000 1.188 72 A CA 2.428 53.947 52.037 -0.862 0.000 0.631 72 A CB -1.620 17.124 19.000 -0.425 0.000 0.822 72 A HN 0.114 nan 8.150 nan 0.000 0.447 73 V N -0.542 119.199 119.914 -0.289 0.000 2.239 73 V HA -0.205 3.915 4.120 -0.000 0.000 0.242 73 V C 2.435 178.335 176.094 -0.324 0.000 1.038 73 V CA 1.972 64.076 62.300 -0.327 0.000 1.002 73 V CB -1.117 30.457 31.823 -0.415 0.000 0.641 73 V HN 0.668 nan 8.190 nan 0.000 0.449 74 H N 0.210 119.215 119.070 -0.108 0.000 2.421 74 H HA -0.044 4.512 4.556 -0.000 0.000 0.298 74 H C 2.322 177.602 175.328 -0.081 0.000 1.087 74 H CA 1.572 57.572 56.048 -0.081 0.000 1.330 74 H CB -0.417 29.305 29.762 -0.066 0.000 1.388 74 H HN 0.464 nan 8.280 nan 0.000 0.526 75 A N 0.837 123.634 122.820 -0.038 0.000 1.902 75 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 75 A C 2.856 180.436 177.584 -0.006 0.000 1.181 75 A CA 1.555 53.580 52.037 -0.020 0.000 0.623 75 A CB -1.092 17.875 19.000 -0.056 0.000 0.818 75 A HN 0.455 nan 8.150 nan 0.000 0.443 76 G N -0.306 108.454 108.800 -0.068 0.000 2.448 76 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 76 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 76 G C 1.456 176.351 174.900 -0.009 0.000 1.127 76 G CA 1.102 46.189 45.100 -0.022 0.000 0.766 76 G HN 0.504 nan 8.290 nan 0.000 0.552 77 I N -0.124 120.438 120.570 -0.014 0.000 2.296 77 I HA 0.012 4.182 4.170 -0.000 0.000 0.242 77 I C 2.630 178.765 176.117 0.030 0.000 1.087 77 I CA 0.498 61.803 61.300 0.008 0.000 1.393 77 I CB -0.246 37.767 38.000 0.020 0.000 1.093 77 I HN 0.080 nan 8.210 nan 0.000 0.421 78 L N 1.073 122.323 121.223 0.045 0.000 2.044 78 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 78 L C 1.523 178.414 176.870 0.035 0.000 1.075 78 L CA 0.162 55.029 54.840 0.045 0.000 0.747 78 L CB -0.706 41.384 42.059 0.052 0.000 0.903 78 L HN 0.175 nan 8.230 nan 0.000 0.435 79 A N 1.386 124.230 122.820 0.041 0.000 2.600 79 A HA -0.092 4.228 4.320 -0.000 0.000 0.253 79 A C 0.274 177.875 177.584 0.029 0.000 0.997 79 A CA 0.517 52.579 52.037 0.042 0.000 0.820 79 A CB -0.342 18.694 19.000 0.058 0.000 0.888 79 A HN 0.326 nan 8.150 nan 0.000 0.508 80 R N 1.825 122.339 120.500 0.023 0.000 2.490 80 R HA 0.134 4.474 4.340 -0.000 0.000 0.278 80 R C 0.662 176.971 176.300 0.015 0.000 1.069 80 R CA -0.241 55.866 56.100 0.012 0.000 1.080 80 R CB 0.590 30.894 30.300 0.007 0.000 1.030 80 R HN 0.891 nan 8.270 nan 0.000 0.491 81 N N 3.644 122.349 118.700 0.009 0.000 3.210 81 N HA 0.042 4.782 4.740 -0.000 0.000 0.314 81 N C -0.603 174.913 175.510 0.010 0.000 1.291 81 N CA -0.161 52.896 53.050 0.011 0.000 1.202 81 N CB -0.131 38.361 38.487 0.008 0.000 1.475 81 N HN 0.369 nan 8.380 nan 0.000 0.554 82 I N -3.062 117.515 120.570 0.012 0.000 2.785 82 I HA 0.506 4.675 4.170 -0.000 0.000 0.302 82 I C -2.253 173.872 176.117 0.012 0.000 1.069 82 I CA -2.684 58.622 61.300 0.010 0.000 1.045 82 I CB 1.993 39.998 38.000 0.009 0.000 1.236 82 I HN -0.128 nan 8.210 nan 0.000 0.429 83 P HA -0.245 nan 4.420 nan 0.000 0.219 83 P C 0.993 178.300 177.300 0.012 0.000 1.161 83 P CA 2.040 65.146 63.100 0.010 0.000 0.909 83 P CB 0.170 31.875 31.700 0.007 0.000 0.793 84 E N -0.610 119.598 120.200 0.012 0.000 2.049 84 E HA -0.210 4.139 4.350 -0.000 0.000 0.198 84 E C 1.791 178.404 176.600 0.020 0.000 1.007 84 E CA 1.874 58.283 56.400 0.014 0.000 0.809 84 E CB -1.044 28.664 29.700 0.013 0.000 0.749 84 E HN 0.358 nan 8.360 nan 0.000 0.450 85 D N 0.005 120.419 120.400 0.024 0.000 2.097 85 D HA -0.094 4.545 4.640 -0.000 0.000 0.195 85 D C 1.564 177.887 176.300 0.038 0.000 0.989 85 D CA 0.934 54.955 54.000 0.034 0.000 0.827 85 D CB -0.228 40.592 40.800 0.034 0.000 0.966 85 D HN 0.104 nan 8.370 nan 0.000 0.456 86 N N 0.678 119.396 118.700 0.029 0.000 2.149 86 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 86 N C 1.721 177.245 175.510 0.022 0.000 1.019 86 N CA 1.227 54.293 53.050 0.027 0.000 0.857 86 N CB -0.328 38.170 38.487 0.019 0.000 0.997 86 N HN 0.158 nan 8.380 nan 0.000 0.426 87 A N 1.867 124.697 122.820 0.017 0.000 1.841 87 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 87 A C 1.866 179.455 177.584 0.009 0.000 1.199 87 A CA 2.096 54.139 52.037 0.009 0.000 0.621 87 A CB -0.946 18.059 19.000 0.008 0.000 0.835 87 A HN 0.194 nan 8.150 nan 0.000 0.445 88 D N -0.574 119.838 120.400 0.020 0.000 2.172 88 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 88 D C 1.833 178.148 176.300 0.025 0.000 0.999 88 D CA 1.405 55.420 54.000 0.025 0.000 0.856 88 D CB -0.215 40.614 40.800 0.048 0.000 0.934 88 D HN 0.262 nan 8.370 nan 0.000 0.453 89 M N -0.103 119.526 119.600 0.048 0.000 2.374 89 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 89 M C 1.465 177.757 176.300 -0.013 0.000 1.067 89 M CA 0.961 56.303 55.300 0.068 0.000 1.103 89 M CB -0.785 31.876 32.600 0.102 0.000 1.402 89 M HN 0.145 nan 8.290 nan 0.000 0.444 90 N N 0.186 118.872 118.700 -0.022 0.000 2.132 90 N HA -0.121 4.618 4.740 -0.000 0.000 0.187 90 N C 1.638 177.100 175.510 -0.080 0.000 1.038 90 N CA 0.626 53.651 53.050 -0.042 0.000 0.846 90 N CB 0.045 38.519 38.487 -0.022 0.000 1.012 90 N HN 0.256 nan 8.380 nan 0.000 0.429 91 K N 0.695 121.053 120.400 -0.070 0.000 2.360 91 K HA -0.152 4.168 4.320 -0.000 0.000 0.201 91 K C 1.152 177.664 176.600 -0.147 0.000 1.046 91 K CA 1.183 57.421 56.287 -0.081 0.000 0.940 91 K CB 0.268 32.737 32.500 -0.051 0.000 0.748 91 K HN 0.200 nan 8.250 nan 0.000 0.465 92 Q N -0.160 119.494 119.800 -0.244 0.000 2.353 92 Q HA -0.015 4.325 4.340 -0.000 0.000 0.240 92 Q C -0.341 175.261 176.000 -0.663 0.000 0.868 92 Q CA 0.417 55.907 55.803 -0.521 0.000 0.944 92 Q CB 0.550 28.841 28.738 -0.745 0.000 1.104 92 Q HN 0.320 nan 8.270 nan 0.000 0.531 93 D N -0.110 120.062 120.400 -0.380 0.000 2.760 93 D HA -0.170 4.470 4.640 -0.000 0.000 0.244 93 D C -1.575 174.639 176.300 -0.143 0.000 1.123 93 D CA 0.233 54.105 54.000 -0.212 0.000 0.719 93 D CB -1.035 39.675 40.800 -0.150 0.000 1.045 93 D HN -0.035 nan 8.370 nan 0.000 0.426 94 F N 0.644 120.608 119.950 0.023 0.000 2.444 94 F HA 0.474 5.001 4.527 -0.000 0.000 0.342 94 F C 1.071 176.879 175.800 0.012 0.000 1.121 94 F CA -1.013 57.000 58.000 0.023 0.000 0.997 94 F CB 1.671 40.694 39.000 0.037 0.000 1.130 94 F HN -0.180 nan 8.300 nan 0.000 0.454 95 S N 3.381 119.203 115.700 0.203 0.000 2.603 95 S HA 0.480 4.950 4.470 -0.000 0.000 0.268 95 S C -0.001 174.647 174.600 0.080 0.000 1.317 95 S CA -0.692 57.569 58.200 0.102 0.000 1.012 95 S CB 0.618 63.854 63.200 0.060 0.000 0.926 95 S HN 0.378 nan 8.310 nan 0.000 0.539 96 L N 2.072 123.325 121.223 0.050 0.000 2.349 96 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 96 L C -0.523 176.352 176.870 0.008 0.000 1.115 96 L CA -0.739 54.120 54.840 0.032 0.000 0.820 96 L CB 0.703 42.779 42.059 0.028 0.000 1.135 96 L HN 0.318 nan 8.230 nan 0.000 0.445 97 V N 3.974 123.886 119.914 -0.004 0.000 2.406 97 V HA 0.222 4.342 4.120 -0.000 0.000 0.272 97 V C 0.848 176.936 176.094 -0.009 0.000 1.043 97 V CA -0.315 61.974 62.300 -0.019 0.000 0.915 97 V CB 1.293 33.094 31.823 -0.036 0.000 0.988 97 V HN 0.782 nan 8.190 nan 0.000 0.466 98 R N 3.822 124.315 120.500 -0.012 0.000 2.225 98 R HA 0.338 4.678 4.340 -0.000 0.000 0.194 98 R C -0.213 176.088 176.300 0.000 0.000 0.957 98 R CA 0.399 56.497 56.100 -0.004 0.000 1.042 98 R CB 0.706 31.002 30.300 -0.007 0.000 1.004 98 R HN 0.555 nan 8.270 nan 0.000 0.509 99 V N 1.274 121.182 119.914 -0.010 0.000 2.709 99 V HA 0.378 4.498 4.120 -0.000 0.000 0.308 99 V C -1.085 175.010 176.094 0.001 0.000 1.062 99 V CA -0.865 61.437 62.300 0.004 0.000 0.901 99 V CB 2.206 34.021 31.823 -0.012 0.000 1.003 99 V HN -0.190 nan 8.190 nan 0.000 0.425 100 V N 5.030 124.955 119.914 0.017 0.000 2.340 100 V HA 0.324 4.444 4.120 -0.000 0.000 0.277 100 V C -0.222 175.893 176.094 0.034 0.000 1.017 100 V CA -0.574 61.729 62.300 0.006 0.000 0.820 100 V CB 1.563 33.376 31.823 -0.016 0.000 1.028 100 V HN 0.605 nan 8.190 nan 0.000 0.436 101 V N 3.862 123.816 119.914 0.065 0.000 2.389 101 V HA 0.461 4.581 4.120 -0.000 0.000 0.264 101 V C 0.141 176.277 176.094 0.070 0.000 1.049 101 V CA -0.066 62.309 62.300 0.125 0.000 0.932 101 V CB 0.906 32.845 31.823 0.193 0.000 1.011 101 V HN 0.979 nan 8.190 nan 0.000 0.475 102 C N 5.875 125.198 119.300 0.039 0.000 3.171 102 C HA 0.817 5.276 4.460 -0.000 0.000 0.336 102 C C -1.177 173.796 174.990 -0.029 0.000 1.198 102 C CA -0.539 58.486 59.018 0.010 0.000 1.319 102 C CB 1.518 29.251 27.740 -0.012 0.000 1.682 102 C HN 1.139 nan 8.230 nan 0.000 0.497 103 N N 2.964 121.670 118.700 0.009 0.000 2.710 103 N HA 0.778 5.518 4.740 -0.000 0.000 0.257 103 N C -2.036 173.558 175.510 0.140 0.000 1.327 103 N CA -0.718 52.353 53.050 0.036 0.000 0.861 103 N CB 0.842 39.307 38.487 -0.036 0.000 1.532 103 N HN 0.489 nan 8.380 nan 0.000 0.499 104 L N 0.125 121.516 121.223 0.280 0.000 2.319 104 L HA 0.491 4.831 4.340 -0.000 0.000 0.267 104 L C -0.775 176.228 176.870 0.222 0.000 1.011 104 L CA -0.940 53.979 54.840 0.132 0.000 0.818 104 L CB 0.837 42.792 42.059 -0.174 0.000 1.316 104 L HN 0.670 nan 8.230 nan 0.000 0.432 105 Y N 2.972 123.342 120.300 0.117 0.000 2.480 105 Y HA 0.324 4.874 4.550 -0.000 0.000 0.341 105 Y C -2.016 174.009 175.900 0.209 0.000 1.031 105 Y CA -2.840 55.338 58.100 0.130 0.000 1.295 105 Y CB 0.362 38.882 38.460 0.101 0.000 1.162 105 Y HN 0.412 nan 8.280 nan 0.000 0.523 106 P HA -0.184 nan 4.420 nan 0.000 0.255 106 P C 0.407 177.560 177.300 -0.245 0.000 1.151 106 P CA 0.741 63.727 63.100 -0.190 0.000 0.767 106 P CB -0.011 31.523 31.700 -0.277 0.000 0.736 107 F N 5.060 124.861 119.950 -0.248 0.000 2.307 107 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 107 F C 1.971 177.573 175.800 -0.330 0.000 1.076 107 F CA 1.262 59.051 58.000 -0.351 0.000 1.383 107 F CB -0.239 38.366 39.000 -0.659 0.000 1.055 107 F HN 0.145 nan 8.300 nan 0.000 0.526 108 V N 0.279 120.034 119.914 -0.266 0.000 2.358 108 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 108 V C 2.277 178.168 176.094 -0.339 0.000 1.047 108 V CA 2.039 64.172 62.300 -0.277 0.000 1.035 108 V CB -0.311 31.415 31.823 -0.161 0.000 0.658 108 V HN 0.307 nan 8.190 nan 0.000 0.452 109 K N -0.736 119.425 120.400 -0.398 0.000 2.217 109 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 109 K C 2.092 178.516 176.600 -0.293 0.000 1.051 109 K CA 1.642 57.711 56.287 -0.364 0.000 0.952 109 K CB -0.332 31.832 32.500 -0.559 0.000 0.736 109 K HN 0.475 nan 8.250 nan 0.000 0.453 110 T N 1.196 115.506 114.554 -0.405 0.000 2.708 110 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 110 T C 1.964 176.398 174.700 -0.442 0.000 1.037 110 T CA 1.722 63.645 62.100 -0.296 0.000 1.146 110 T CB -0.105 68.504 68.868 -0.430 0.000 0.865 110 T HN 0.184 nan 8.240 nan 0.000 0.435 111 V N 1.004 120.491 119.914 -0.712 0.000 3.306 111 V HA 0.051 4.171 4.120 -0.000 0.000 0.264 111 V C 2.370 178.250 176.094 -0.356 0.000 1.149 111 V CA 1.309 63.198 62.300 -0.686 0.000 1.143 111 V CB -0.882 30.300 31.823 -1.069 0.000 0.767 111 V HN 0.532 nan 8.190 nan 0.000 0.476 112 S N 0.461 115.998 115.700 -0.271 0.000 2.436 112 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 112 S C 1.409 175.948 174.600 -0.102 0.000 1.014 112 S CA 0.809 58.917 58.200 -0.153 0.000 0.950 112 S CB -0.644 62.477 63.200 -0.131 0.000 0.784 112 S HN 0.745 nan 8.310 nan 0.000 0.504 113 S N 3.851 119.491 115.700 -0.099 0.000 2.599 113 S HA 0.089 4.559 4.470 -0.000 0.000 0.303 113 S C -0.624 173.948 174.600 -0.046 0.000 1.267 113 S CA -0.770 57.399 58.200 -0.051 0.000 1.055 113 S CB 0.394 63.572 63.200 -0.037 0.000 0.790 113 S HN 0.345 nan 8.310 nan 0.000 0.500 114 P HA -0.172 nan 4.420 nan 0.000 0.205 114 P C 1.492 178.782 177.300 -0.017 0.000 1.046 114 P CA 2.245 65.334 63.100 -0.019 0.000 0.968 114 P CB -0.741 30.952 31.700 -0.011 0.000 0.753 115 G N -0.395 108.397 108.800 -0.013 0.000 2.484 115 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 115 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 115 G C 0.672 175.567 174.900 -0.009 0.000 1.130 115 G CA 0.091 45.186 45.100 -0.008 0.000 0.784 115 G HN 0.425 nan 8.290 nan 0.000 0.543 116 V N 2.574 122.476 119.914 -0.020 0.000 2.889 116 V HA 0.116 4.236 4.120 -0.000 0.000 0.293 116 V C 0.951 177.045 176.094 0.000 0.000 1.273 116 V CA 1.217 63.503 62.300 -0.024 0.000 1.365 116 V CB -0.001 31.778 31.823 -0.074 0.000 0.837 116 V HN 0.556 nan 8.190 nan 0.000 0.492 117 T N 3.480 118.045 114.554 0.018 0.000 2.952 117 T HA 0.525 4.875 4.350 -0.000 0.000 0.286 117 T C 0.964 175.711 174.700 0.078 0.000 1.024 117 T CA -0.213 61.911 62.100 0.039 0.000 1.029 117 T CB 1.657 70.543 68.868 0.029 0.000 1.094 117 T HN 0.392 nan 8.240 nan 0.000 0.515 118 V N 1.750 121.715 119.914 0.085 0.000 2.255 118 V HA -0.074 4.046 4.120 -0.000 0.000 0.247 118 V C -0.562 175.604 176.094 0.120 0.000 1.051 118 V CA 1.724 64.090 62.300 0.110 0.000 1.018 118 V CB -1.879 29.907 31.823 -0.061 0.000 0.641 118 V HN 0.741 nan 8.190 nan 0.000 0.445 119 P HA -0.194 nan 4.420 nan 0.000 0.215 119 P C 1.669 179.032 177.300 0.105 0.000 1.153 119 P CA 1.619 64.775 63.100 0.093 0.000 0.853 119 P CB -0.025 31.714 31.700 0.065 0.000 0.788 120 E N -0.487 119.763 120.200 0.083 0.000 2.268 120 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 120 E C 1.648 178.298 176.600 0.083 0.000 0.995 120 E CA 0.997 57.439 56.400 0.070 0.000 0.836 120 E CB -0.312 29.413 29.700 0.042 0.000 0.763 120 E HN 0.124 nan 8.360 nan 0.000 0.491 121 A N 0.059 122.946 122.820 0.110 0.000 1.924 121 A HA 0.040 4.360 4.320 -0.000 0.000 0.211 121 A C 2.260 180.028 177.584 0.308 0.000 1.198 121 A CA 0.484 52.585 52.037 0.107 0.000 0.657 121 A CB -0.210 18.790 19.000 -0.000 0.000 0.852 121 A HN 0.173 nan 8.150 nan 0.000 0.454 122 V N 0.664 120.781 119.914 0.339 0.000 2.332 122 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 122 V C 2.585 178.851 176.094 0.288 0.000 1.055 122 V CA 2.458 64.987 62.300 0.382 0.000 1.038 122 V CB -0.746 31.260 31.823 0.305 0.000 0.651 122 V HN 0.694 nan 8.190 nan 0.000 0.450 123 E N 0.698 121.024 120.200 0.210 0.000 2.110 123 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 123 E C 2.110 178.821 176.600 0.184 0.000 0.988 123 E CA 1.269 57.767 56.400 0.164 0.000 0.804 123 E CB -0.274 29.498 29.700 0.119 0.000 0.745 123 E HN 0.352 nan 8.360 nan 0.000 0.458 124 K N 0.178 120.710 120.400 0.220 0.000 2.442 124 K HA -0.008 4.312 4.320 -0.000 0.000 0.198 124 K C 0.202 177.014 176.600 0.354 0.000 1.042 124 K CA 0.172 56.609 56.287 0.249 0.000 0.958 124 K CB -0.295 32.334 32.500 0.215 0.000 0.766 124 K HN 0.300 nan 8.250 nan 0.000 0.474 125 I N 2.716 123.501 120.570 0.358 0.000 2.662 125 I HA -0.101 4.069 4.170 -0.000 0.000 0.285 125 I C 0.852 177.119 176.117 0.250 0.000 1.161 125 I CA 0.164 61.642 61.300 0.296 0.000 1.415 125 I CB 0.105 38.188 38.000 0.139 0.000 1.385 125 I HN 0.039 nan 8.210 nan 0.000 0.552 126 D N 6.868 127.451 120.400 0.304 0.000 2.382 126 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 126 D C 0.410 176.747 176.300 0.061 0.000 1.120 126 D CA -0.117 53.955 54.000 0.121 0.000 0.890 126 D CB 1.506 42.287 40.800 -0.031 0.000 1.201 126 D HN 0.324 nan 8.370 nan 0.000 0.433 127 I N 2.717 123.310 120.570 0.037 0.000 3.518 127 I HA 0.050 4.220 4.170 -0.000 0.000 0.260 127 I C 2.311 178.436 176.117 0.012 0.000 1.148 127 I CA 0.372 61.687 61.300 0.025 0.000 1.440 127 I CB -1.318 36.703 38.000 0.036 0.000 1.485 127 I HN 0.598 nan 8.210 nan 0.000 0.456 128 G N 1.173 109.986 108.800 0.022 0.000 2.459 128 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 128 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 128 G C 1.647 176.561 174.900 0.023 0.000 1.183 128 G CA 1.050 46.171 45.100 0.035 0.000 0.776 128 G HN 0.457 nan 8.290 nan 0.000 0.552 129 G N 0.419 109.211 108.800 -0.013 0.000 2.440 129 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 129 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 129 G C 1.817 176.690 174.900 -0.046 0.000 1.154 129 G CA 1.384 46.464 45.100 -0.033 0.000 0.767 129 G HN 0.342 nan 8.290 nan 0.000 0.552 130 V N 1.722 121.587 119.914 -0.081 0.000 2.252 130 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 130 V C 3.368 179.449 176.094 -0.021 0.000 1.056 130 V CA 2.228 64.480 62.300 -0.079 0.000 1.022 130 V CB -1.101 30.671 31.823 -0.085 0.000 0.641 130 V HN 0.501 nan 8.190 nan 0.000 0.445 131 A N -0.249 122.578 122.820 0.011 0.000 1.908 131 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 131 A C 2.212 179.867 177.584 0.118 0.000 1.181 131 A CA 2.101 54.162 52.037 0.040 0.000 0.627 131 A CB -0.562 18.465 19.000 0.045 0.000 0.818 131 A HN 0.538 nan 8.150 nan 0.000 0.445 132 L N -1.009 120.290 121.223 0.127 0.000 2.005 132 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 132 L C 2.611 179.481 176.870 0.001 0.000 1.072 132 L CA 1.067 55.956 54.840 0.082 0.000 0.744 132 L CB -0.668 41.394 42.059 0.006 0.000 0.895 132 L HN 0.339 nan 8.230 nan 0.000 0.433 133 L N -0.400 120.795 121.223 -0.046 0.000 2.012 133 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 133 L C 2.980 179.714 176.870 -0.227 0.000 1.073 133 L CA 1.452 56.217 54.840 -0.126 0.000 0.748 133 L CB -0.453 41.537 42.059 -0.116 0.000 0.891 133 L HN 0.221 nan 8.230 nan 0.000 0.431 134 R N -0.386 120.018 120.500 -0.160 0.000 2.073 134 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 134 R C 2.393 178.676 176.300 -0.030 0.000 1.134 134 R CA 1.333 57.347 56.100 -0.145 0.000 0.952 134 R CB -0.564 29.792 30.300 0.093 0.000 0.850 134 R HN 0.365 nan 8.270 nan 0.000 0.433 135 A N 1.518 124.353 122.820 0.024 0.000 1.877 135 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 135 A C 2.428 180.041 177.584 0.048 0.000 1.186 135 A CA 1.699 53.778 52.037 0.071 0.000 0.620 135 A CB -0.695 18.386 19.000 0.135 0.000 0.822 135 A HN 0.394 nan 8.150 nan 0.000 0.443 136 A N -0.153 122.666 122.820 -0.001 0.000 1.877 136 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 136 A C 2.511 180.090 177.584 -0.007 0.000 1.186 136 A CA 2.230 54.261 52.037 -0.010 0.000 0.620 136 A CB -1.057 17.920 19.000 -0.038 0.000 0.822 136 A HN 1.104 nan 8.150 nan 0.000 0.443 137 A N -0.424 122.316 122.820 -0.134 0.000 1.969 137 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 137 A C 2.116 179.848 177.584 0.248 0.000 1.169 137 A CA 1.946 53.877 52.037 -0.177 0.000 0.635 137 A CB -0.407 18.035 19.000 -0.930 0.000 0.810 137 A HN 0.588 nan 8.150 nan 0.000 0.445 138 K N -0.270 120.302 120.400 0.287 0.000 2.001 138 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 138 K C 0.945 177.690 176.600 0.241 0.000 1.048 138 K CA 1.533 58.061 56.287 0.401 0.000 0.932 138 K CB -0.197 32.475 32.500 0.286 0.000 0.715 138 K HN 0.376 nan 8.250 nan 0.000 0.437 139 N N 1.273 120.049 118.700 0.127 0.000 2.623 139 N HA -0.056 4.684 4.740 -0.000 0.000 0.263 139 N C 0.526 176.040 175.510 0.006 0.000 1.218 139 N CA -0.069 52.996 53.050 0.026 0.000 0.949 139 N CB -0.150 38.354 38.487 0.029 0.000 1.270 139 N HN 0.354 nan 8.380 nan 0.000 0.507 140 H N -1.941 117.161 119.070 0.054 0.000 2.563 140 H HA 0.141 4.697 4.556 -0.000 0.000 0.272 140 H C 1.193 176.546 175.328 0.042 0.000 1.005 140 H CA 0.659 56.731 56.048 0.040 0.000 1.171 140 H CB -0.014 29.777 29.762 0.050 0.000 1.351 140 H HN 0.271 nan 8.280 nan 0.000 0.602 141 A N 1.342 123.952 122.820 -0.349 0.000 2.067 141 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 141 A C 2.493 180.040 177.584 -0.061 0.000 1.158 141 A CA 1.371 53.279 52.037 -0.215 0.000 0.661 141 A CB -0.336 18.544 19.000 -0.200 0.000 0.801 141 A HN 0.488 nan 8.150 nan 0.000 0.452 142 R N -1.963 118.517 120.500 -0.033 0.000 2.493 142 R HA 0.211 4.551 4.340 -0.000 0.000 0.177 142 R C -0.485 175.829 176.300 0.023 0.000 0.861 142 R CA 0.339 56.440 56.100 0.002 0.000 1.083 142 R CB 0.356 30.654 30.300 -0.003 0.000 1.328 142 R HN 0.133 nan 8.270 nan 0.000 0.615 143 V N 2.885 122.815 119.914 0.027 0.000 2.572 143 V HA 0.145 4.265 4.120 -0.000 0.000 0.291 143 V C -0.204 175.922 176.094 0.053 0.000 1.039 143 V CA 0.320 62.641 62.300 0.034 0.000 1.055 143 V CB 1.336 33.176 31.823 0.027 0.000 0.969 143 V HN 0.274 nan 8.190 nan 0.000 0.482 144 T N 5.265 119.847 114.554 0.046 0.000 2.727 144 T HA 0.347 4.696 4.350 -0.000 0.000 0.298 144 T C -0.273 174.451 174.700 0.040 0.000 0.942 144 T CA -0.051 62.082 62.100 0.055 0.000 0.997 144 T CB 1.172 70.083 68.868 0.071 0.000 0.917 144 T HN 0.491 nan 8.240 nan 0.000 0.487 145 V N 5.674 125.594 119.914 0.010 0.000 2.435 145 V HA 0.678 4.798 4.120 -0.000 0.000 0.290 145 V C -0.813 175.253 176.094 -0.047 0.000 1.030 145 V CA -0.399 61.885 62.300 -0.026 0.000 0.881 145 V CB 1.335 33.109 31.823 -0.082 0.000 0.983 145 V HN 0.672 nan 8.190 nan 0.000 0.445 146 V N 6.603 126.507 119.914 -0.018 0.000 2.525 146 V HA 0.312 4.432 4.120 -0.000 0.000 0.299 146 V C 0.447 176.484 176.094 -0.095 0.000 1.034 146 V CA -0.247 62.027 62.300 -0.044 0.000 0.863 146 V CB 1.258 33.139 31.823 0.097 0.000 0.999 146 V HN 1.092 nan 8.190 nan 0.000 0.423 147 C N -0.130 119.031 119.300 -0.230 0.000 3.385 147 C HA 0.439 4.899 4.460 -0.000 0.000 0.288 147 C C 0.182 174.934 174.990 -0.397 0.000 1.429 147 C CA -0.202 58.615 59.018 -0.336 0.000 1.778 147 C CB -0.621 26.786 27.740 -0.554 0.000 2.503 147 C HN 0.747 nan 8.230 nan 0.000 0.646 148 D N 1.466 121.636 120.400 -0.383 0.000 2.469 148 D HA 0.394 5.034 4.640 -0.000 0.000 0.251 148 D C -2.060 173.822 176.300 -0.696 0.000 1.173 148 D CA -1.752 52.001 54.000 -0.412 0.000 0.882 148 D CB 2.133 42.751 40.800 -0.303 0.000 1.129 148 D HN -0.092 nan 8.370 nan 0.000 0.549 149 P HA -0.072 nan 4.420 nan 0.000 0.223 149 P C 0.830 177.631 177.300 -0.832 0.000 1.144 149 P CA 0.791 63.064 63.100 -1.378 0.000 0.783 149 P CB 0.340 31.755 31.700 -0.476 0.000 0.771 150 A N -0.727 121.806 122.820 -0.479 0.000 2.119 150 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 150 A C 1.828 179.261 177.584 -0.250 0.000 1.153 150 A CA 1.377 53.253 52.037 -0.267 0.000 0.692 150 A CB -0.659 18.240 19.000 -0.169 0.000 0.799 150 A HN 0.095 nan 8.150 nan 0.000 0.458 151 D N -1.506 118.675 120.400 -0.364 0.000 2.277 151 D HA -0.031 4.609 4.640 -0.000 0.000 0.209 151 D C 1.282 177.426 176.300 -0.260 0.000 0.970 151 D CA 0.499 54.355 54.000 -0.240 0.000 0.874 151 D CB -0.301 40.374 40.800 -0.209 0.000 0.982 151 D HN 0.404 nan 8.370 nan 0.000 0.504 152 Y N 2.049 122.048 120.300 -0.502 0.000 2.064 152 Y HA -0.323 4.226 4.550 -0.000 0.000 0.262 152 Y C 2.781 178.362 175.900 -0.532 0.000 1.243 152 Y CA 0.901 58.386 58.100 -1.025 0.000 1.096 152 Y CB -1.538 36.406 38.460 -0.861 0.000 0.915 152 Y HN -0.066 nan 8.280 nan 0.000 0.505 153 S N -0.280 115.387 115.700 -0.055 0.000 2.426 153 S HA -0.265 4.205 4.470 -0.000 0.000 0.220 153 S C 2.463 177.094 174.600 0.051 0.000 1.040 153 S CA 2.686 60.903 58.200 0.029 0.000 1.094 153 S CB -0.996 62.215 63.200 0.019 0.000 1.072 153 S HN 0.681 nan 8.310 nan 0.000 0.415 154 S N 0.818 116.532 115.700 0.023 0.000 2.413 154 S HA -0.142 4.328 4.470 -0.000 0.000 0.237 154 S C 1.821 176.469 174.600 0.080 0.000 1.044 154 S CA 1.754 59.979 58.200 0.042 0.000 1.024 154 S CB -1.192 62.023 63.200 0.026 0.000 0.829 154 S HN 0.388 nan 8.310 nan 0.000 0.475 155 V N 2.639 122.613 119.914 0.100 0.000 2.255 155 V HA -0.050 4.069 4.120 -0.000 0.000 0.243 155 V C 3.178 179.422 176.094 0.250 0.000 1.038 155 V CA 1.540 63.950 62.300 0.183 0.000 1.008 155 V CB -1.656 30.319 31.823 0.252 0.000 0.645 155 V HN 0.671 nan 8.190 nan 0.000 0.449 156 A N 0.355 123.401 122.820 0.377 0.000 1.917 156 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 156 A C 2.224 179.902 177.584 0.156 0.000 1.182 156 A CA 2.409 54.638 52.037 0.321 0.000 0.633 156 A CB -0.537 18.690 19.000 0.378 0.000 0.819 156 A HN 0.625 nan 8.150 nan 0.000 0.448 157 K N -0.556 119.920 120.400 0.127 0.000 1.987 157 K HA -0.242 4.078 4.320 -0.000 0.000 0.216 157 K C 2.168 178.810 176.600 0.070 0.000 1.051 157 K CA 1.696 58.032 56.287 0.080 0.000 0.942 157 K CB -0.358 32.180 32.500 0.063 0.000 0.722 157 K HN 0.705 nan 8.250 nan 0.000 0.444 158 E N 1.071 121.317 120.200 0.077 0.000 2.070 158 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 158 E C 2.141 178.776 176.600 0.059 0.000 1.004 158 E CA 1.562 58.001 56.400 0.065 0.000 0.805 158 E CB -0.015 29.730 29.700 0.074 0.000 0.744 158 E HN 0.267 nan 8.360 nan 0.000 0.451 159 M N 0.270 119.912 119.600 0.070 0.000 2.117 159 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 159 M C 2.528 178.846 176.300 0.030 0.000 1.065 159 M CA 1.380 56.707 55.300 0.046 0.000 1.114 159 M CB -0.428 32.195 32.600 0.039 0.000 1.361 159 M HN 0.229 nan 8.290 nan 0.000 0.408 160 A N 0.937 123.777 122.820 0.035 0.000 1.842 160 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 160 A C 2.300 179.897 177.584 0.021 0.000 1.206 160 A CA 2.395 54.446 52.037 0.024 0.000 0.630 160 A CB -1.210 17.809 19.000 0.031 0.000 0.839 160 A HN 0.529 nan 8.150 nan 0.000 0.447 161 A N -0.771 122.064 122.820 0.026 0.000 2.239 161 A HA 0.261 4.581 4.320 -0.000 0.000 0.209 161 A C 1.469 179.066 177.584 0.020 0.000 1.171 161 A CA 0.965 53.014 52.037 0.022 0.000 0.768 161 A CB -0.737 18.277 19.000 0.023 0.000 0.790 161 A HN 0.569 nan 8.150 nan 0.000 0.478 162 S N -0.718 114.996 115.700 0.023 0.000 2.549 162 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 162 S C 1.060 175.669 174.600 0.015 0.000 1.321 162 S CA -0.308 57.904 58.200 0.021 0.000 1.054 162 S CB 0.724 63.939 63.200 0.025 0.000 0.899 162 S HN 0.384 nan 8.310 nan 0.000 0.497 163 K N 2.341 122.750 120.400 0.014 0.000 2.097 163 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 163 K C 0.437 177.042 176.600 0.009 0.000 1.049 163 K CA 1.445 57.739 56.287 0.011 0.000 0.933 163 K CB 0.051 32.557 32.500 0.011 0.000 0.717 163 K HN 0.588 nan 8.250 nan 0.000 0.442 164 D N 0.717 121.123 120.400 0.010 0.000 2.643 164 D HA 0.053 4.693 4.640 -0.000 0.000 0.244 164 D C -0.574 175.729 176.300 0.006 0.000 1.257 164 D CA -0.064 53.941 54.000 0.008 0.000 0.831 164 D CB 0.598 41.403 40.800 0.009 0.000 1.043 164 D HN -0.052 nan 8.370 nan 0.000 0.488 165 K N 0.632 121.035 120.400 0.006 0.000 2.948 165 K HA -0.247 4.073 4.320 -0.000 0.000 0.253 165 K C -0.332 176.271 176.600 0.005 0.000 0.970 165 K CA 0.902 57.190 56.287 0.002 0.000 0.716 165 K CB -1.790 30.705 32.500 -0.008 0.000 1.249 165 K HN 0.411 nan 8.250 nan 0.000 0.483 166 D N -0.660 119.749 120.400 0.015 0.000 2.645 166 D HA 0.289 4.929 4.640 -0.000 0.000 0.228 166 D C -0.219 176.103 176.300 0.036 0.000 1.148 166 D CA -0.019 53.994 54.000 0.022 0.000 0.860 166 D CB 1.272 42.083 40.800 0.019 0.000 1.548 166 D HN 0.112 nan 8.370 nan 0.000 0.460 167 T N -0.240 114.343 114.554 0.048 0.000 2.734 167 T HA 0.389 4.739 4.350 -0.000 0.000 0.314 167 T C 0.637 175.371 174.700 0.058 0.000 1.057 167 T CA -0.562 61.575 62.100 0.063 0.000 1.047 167 T CB 0.485 69.401 68.868 0.080 0.000 0.991 167 T HN 0.394 nan 8.240 nan 0.000 0.540 168 S N 0.283 116.021 115.700 0.064 0.000 2.632 168 S HA 0.323 4.793 4.470 -0.000 0.000 0.271 168 S C 1.717 176.360 174.600 0.073 0.000 1.260 168 S CA -0.448 57.787 58.200 0.059 0.000 1.010 168 S CB 1.094 64.327 63.200 0.054 0.000 0.965 168 S HN 1.269 nan 8.310 nan 0.000 0.534 169 V N -0.290 119.666 119.914 0.070 0.000 2.343 169 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 169 V C 2.478 178.639 176.094 0.112 0.000 1.051 169 V CA 1.717 64.072 62.300 0.091 0.000 1.036 169 V CB -1.401 30.468 31.823 0.077 0.000 0.654 169 V HN 0.930 nan 8.190 nan 0.000 0.451 170 E N 1.216 121.470 120.200 0.090 0.000 2.070 170 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 170 E C 2.150 178.822 176.600 0.119 0.000 1.004 170 E CA 2.303 58.757 56.400 0.089 0.000 0.805 170 E CB -1.673 28.062 29.700 0.059 0.000 0.744 170 E HN 0.635 nan 8.360 nan 0.000 0.451 171 T N 1.500 116.127 114.554 0.121 0.000 2.708 171 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 171 T C 1.967 176.758 174.700 0.152 0.000 1.037 171 T CA 1.525 63.731 62.100 0.176 0.000 1.146 171 T CB -0.185 68.768 68.868 0.141 0.000 0.865 171 T HN 0.206 nan 8.240 nan 0.000 0.435 172 R N 0.681 121.253 120.500 0.120 0.000 2.152 172 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 172 R C 2.700 179.048 176.300 0.080 0.000 1.117 172 R CA 0.972 57.138 56.100 0.110 0.000 0.981 172 R CB -0.162 30.231 30.300 0.155 0.000 0.870 172 R HN 0.418 nan 8.270 nan 0.000 0.451 173 R N -0.412 120.147 120.500 0.099 0.000 2.061 173 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 173 R C 2.443 178.722 176.300 -0.035 0.000 1.140 173 R CA 1.558 57.645 56.100 -0.020 0.000 0.940 173 R CB -0.770 29.569 30.300 0.065 0.000 0.839 173 R HN 0.467 nan 8.270 nan 0.000 0.429 174 H N 0.888 119.939 119.070 -0.031 0.000 2.387 174 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 174 H C 1.813 177.117 175.328 -0.040 0.000 1.099 174 H CA 1.192 57.223 56.048 -0.029 0.000 1.315 174 H CB 0.179 29.933 29.762 -0.013 0.000 1.380 174 H HN 0.087 nan 8.280 nan 0.000 0.513 175 L N 1.084 122.081 121.223 -0.376 0.000 2.072 175 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 175 L C 3.121 179.842 176.870 -0.249 0.000 1.079 175 L CA 1.485 56.081 54.840 -0.406 0.000 0.752 175 L CB -1.634 40.296 42.059 -0.215 0.000 0.906 175 L HN 0.415 nan 8.230 nan 0.000 0.436 176 A N -0.349 122.358 122.820 -0.188 0.000 1.933 176 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 176 A C 2.346 179.885 177.584 -0.075 0.000 1.175 176 A CA 1.450 53.380 52.037 -0.179 0.000 0.628 176 A CB -0.622 18.189 19.000 -0.314 0.000 0.814 176 A HN 0.416 nan 8.150 nan 0.000 0.444 177 L N -0.712 120.476 121.223 -0.058 0.000 2.027 177 L HA -0.179 4.160 4.340 -0.000 0.000 0.206 177 L C 2.490 179.375 176.870 0.025 0.000 1.074 177 L CA 2.345 57.208 54.840 0.037 0.000 0.745 177 L CB -0.394 41.678 42.059 0.023 0.000 0.898 177 L HN 0.449 nan 8.230 nan 0.000 0.433 178 K N -0.227 120.132 120.400 -0.069 0.000 2.103 178 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 178 K C 1.941 178.501 176.600 -0.067 0.000 1.048 178 K CA 1.474 57.712 56.287 -0.082 0.000 0.930 178 K CB -0.123 32.257 32.500 -0.199 0.000 0.716 178 K HN 0.517 nan 8.250 nan 0.000 0.444 179 A N 0.107 122.848 122.820 -0.131 0.000 1.897 179 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 179 A C 1.845 179.362 177.584 -0.112 0.000 1.181 179 A CA 1.066 52.996 52.037 -0.178 0.000 0.620 179 A CB -0.613 18.196 19.000 -0.318 0.000 0.821 179 A HN 0.304 nan 8.150 nan 0.000 0.443 180 F N 0.875 120.830 119.950 0.009 0.000 2.259 180 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 180 F C 2.674 178.496 175.800 0.036 0.000 1.088 180 F CA 1.599 59.611 58.000 0.020 0.000 1.358 180 F CB -0.894 38.105 39.000 -0.001 0.000 1.040 180 F HN 0.145 nan 8.300 nan 0.000 0.505 181 T N -1.864 112.813 114.554 0.206 0.000 2.708 181 T HA -0.258 4.091 4.350 -0.000 0.000 0.266 181 T C 1.737 176.523 174.700 0.144 0.000 1.037 181 T CA 1.864 64.050 62.100 0.143 0.000 1.146 181 T CB -0.563 68.367 68.868 0.104 0.000 0.865 181 T HN 0.252 nan 8.240 nan 0.000 0.435 182 H N 1.360 120.448 119.070 0.031 0.000 2.289 182 H HA -0.142 4.414 4.556 -0.000 0.000 0.294 182 H C 2.483 177.844 175.328 0.055 0.000 1.095 182 H CA 2.465 58.523 56.048 0.018 0.000 1.256 182 H CB -0.522 29.216 29.762 -0.039 0.000 1.359 182 H HN 0.483 nan 8.280 nan 0.000 0.487 183 T N -2.557 112.054 114.554 0.095 0.000 2.904 183 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 183 T C 2.240 177.003 174.700 0.105 0.000 1.059 183 T CA 0.939 63.080 62.100 0.067 0.000 1.137 183 T CB -0.636 68.284 68.868 0.086 0.000 0.879 183 T HN 0.404 nan 8.240 nan 0.000 0.467 184 A N 1.808 124.696 122.820 0.113 0.000 1.902 184 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 184 A C 2.468 180.079 177.584 0.045 0.000 1.181 184 A CA 1.542 53.628 52.037 0.081 0.000 0.623 184 A CB -0.812 18.239 19.000 0.086 0.000 0.818 184 A HN 0.617 nan 8.150 nan 0.000 0.443 185 Q N -2.236 117.587 119.800 0.039 0.000 2.167 185 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 185 Q C 1.944 177.939 176.000 -0.010 0.000 0.970 185 Q CA 1.552 57.360 55.803 0.008 0.000 0.855 185 Q CB -0.289 28.448 28.738 -0.002 0.000 0.911 185 Q HN 0.807 nan 8.270 nan 0.000 0.438 186 Y N 1.765 121.987 120.300 -0.129 0.000 2.089 186 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 186 Y C 1.463 177.264 175.900 -0.166 0.000 1.139 186 Y CA 2.080 60.093 58.100 -0.146 0.000 1.123 186 Y CB -0.077 38.281 38.460 -0.169 0.000 0.980 186 Y HN 0.095 nan 8.280 nan 0.000 0.493 187 D N -0.453 119.918 120.400 -0.047 0.000 2.219 187 D HA -0.091 4.548 4.640 -0.000 0.000 0.205 187 D C 2.137 178.326 176.300 -0.186 0.000 0.970 187 D CA 1.094 54.993 54.000 -0.168 0.000 0.851 187 D CB -0.294 40.460 40.800 -0.076 0.000 0.943 187 D HN 0.443 nan 8.370 nan 0.000 0.488 188 A N 0.791 123.546 122.820 -0.108 0.000 1.902 188 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 188 A C 2.250 179.768 177.584 -0.111 0.000 1.181 188 A CA 1.859 53.847 52.037 -0.082 0.000 0.623 188 A CB -0.759 18.224 19.000 -0.030 0.000 0.818 188 A HN 0.247 nan 8.150 nan 0.000 0.443 189 A N -0.261 122.480 122.820 -0.132 0.000 1.929 189 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 189 A C 2.098 179.649 177.584 -0.054 0.000 1.176 189 A CA 1.287 53.277 52.037 -0.078 0.000 0.628 189 A CB -0.508 18.452 19.000 -0.066 0.000 0.816 189 A HN 0.490 nan 8.150 nan 0.000 0.444 190 I N 0.713 121.076 120.570 -0.346 0.000 2.163 190 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 190 I C 2.899 178.865 176.117 -0.252 0.000 1.081 190 I CA 1.638 62.621 61.300 -0.528 0.000 1.353 190 I CB -0.411 37.036 38.000 -0.922 0.000 1.054 190 I HN 0.477 nan 8.210 nan 0.000 0.407 191 S N 0.208 115.736 115.700 -0.288 0.000 2.382 191 S HA -0.263 4.207 4.470 -0.000 0.000 0.228 191 S C 1.663 176.236 174.600 -0.045 0.000 1.027 191 S CA 1.622 59.712 58.200 -0.184 0.000 0.991 191 S CB -0.583 62.522 63.200 -0.159 0.000 0.823 191 S HN 0.433 nan 8.310 nan 0.000 0.469 192 D N 0.671 121.029 120.400 -0.071 0.000 2.092 192 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 192 D C 1.780 178.106 176.300 0.043 0.000 0.994 192 D CA 1.373 55.307 54.000 -0.109 0.000 0.828 192 D CB -0.529 40.204 40.800 -0.111 0.000 0.963 192 D HN 0.447 nan 8.370 nan 0.000 0.450 193 Y N -0.034 120.298 120.300 0.053 0.000 2.128 193 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 193 Y C 1.972 177.935 175.900 0.105 0.000 1.154 193 Y CA 1.484 59.656 58.100 0.121 0.000 1.149 193 Y CB -0.760 37.901 38.460 0.336 0.000 0.976 193 Y HN -0.026 nan 8.280 nan 0.000 0.505 194 F N 0.203 120.045 119.950 -0.181 0.000 2.171 194 F HA -0.143 4.383 4.527 -0.000 0.000 0.300 194 F C 2.544 178.224 175.800 -0.200 0.000 1.090 194 F CA 1.525 59.358 58.000 -0.279 0.000 1.293 194 F CB -0.743 38.258 39.000 0.001 0.000 1.013 194 F HN -0.016 nan 8.300 nan 0.000 0.486 195 R N 0.232 120.768 120.500 0.061 0.000 2.081 195 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 195 R C 2.159 178.420 176.300 -0.065 0.000 1.131 195 R CA 1.420 57.524 56.100 0.006 0.000 0.960 195 R CB -0.288 29.983 30.300 -0.048 0.000 0.856 195 R HN 0.252 nan 8.270 nan 0.000 0.436 196 K N 0.140 120.467 120.400 -0.122 0.000 2.057 196 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 196 K C 1.982 178.446 176.600 -0.227 0.000 1.050 196 K CA 1.095 57.299 56.287 -0.138 0.000 0.935 196 K CB 0.092 32.529 32.500 -0.105 0.000 0.715 196 K HN 0.116 nan 8.250 nan 0.000 0.439 197 E N -0.270 119.658 120.200 -0.453 0.000 2.076 197 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 197 E C 1.773 178.146 176.600 -0.378 0.000 0.979 197 E CA 1.352 57.389 56.400 -0.604 0.000 0.807 197 E CB 0.023 28.993 29.700 -1.216 0.000 0.761 197 E HN 0.393 nan 8.360 nan 0.000 0.454 198 Y N -0.433 119.737 120.300 -0.216 0.000 2.559 198 Y HA 0.244 4.794 4.550 -0.000 0.000 0.279 198 Y C 2.148 177.999 175.900 -0.083 0.000 1.117 198 Y CA 0.021 58.032 58.100 -0.149 0.000 1.263 198 Y CB -0.048 38.319 38.460 -0.154 0.000 1.230 198 Y HN -0.144 nan 8.280 nan 0.000 0.528 199 S N 0.295 116.057 115.700 0.103 0.000 2.597 199 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 199 S C 0.551 175.163 174.600 0.020 0.000 0.955 199 S CA -0.400 57.835 58.200 0.059 0.000 0.933 199 S CB -0.509 62.732 63.200 0.068 0.000 0.788 199 S HN 0.197 nan 8.310 nan 0.000 0.488 200 K N 0.885 121.284 120.400 -0.001 0.000 2.453 200 K HA 0.223 4.543 4.320 -0.000 0.000 0.280 200 K C 1.094 177.687 176.600 -0.012 0.000 1.045 200 K CA 1.120 57.398 56.287 -0.015 0.000 1.059 200 K CB -0.362 32.119 32.500 -0.032 0.000 0.901 200 K HN 0.260 nan 8.250 nan 0.000 0.475 201 G N 2.172 110.963 108.800 -0.015 0.000 2.176 201 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 201 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 201 G C 0.391 175.278 174.900 -0.022 0.000 0.979 201 G CA 0.244 45.330 45.100 -0.023 0.000 0.641 201 G HN 0.477 nan 8.290 nan 0.000 0.530 202 V N 0.192 120.100 119.914 -0.010 0.000 3.097 202 V HA 0.326 4.446 4.120 -0.000 0.000 0.223 202 V C 2.166 178.258 176.094 -0.003 0.000 1.199 202 V CA 2.181 64.477 62.300 -0.007 0.000 1.260 202 V CB 0.554 32.379 31.823 0.004 0.000 1.155 202 V HN 1.010 nan 8.190 nan 0.000 0.509 203 S N -1.193 114.518 115.700 0.018 0.000 2.730 203 S HA 0.292 4.762 4.470 -0.000 0.000 0.244 203 S C 0.257 174.898 174.600 0.068 0.000 1.022 203 S CA -0.224 57.999 58.200 0.038 0.000 1.014 203 S CB 0.485 63.720 63.200 0.058 0.000 0.963 203 S HN 0.409 nan 8.310 nan 0.000 0.540 204 Q N 0.872 120.698 119.800 0.043 0.000 2.379 204 Q HA 0.480 4.820 4.340 -0.000 0.000 0.278 204 Q C -2.343 173.669 176.000 0.021 0.000 1.068 204 Q CA -0.745 55.094 55.803 0.059 0.000 0.816 204 Q CB 2.130 30.885 28.738 0.029 0.000 1.387 204 Q HN 0.373 nan 8.270 nan 0.000 0.413 205 L N 5.070 126.308 121.223 0.026 0.000 2.446 205 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 205 L C -2.637 174.235 176.870 0.002 0.000 0.975 205 L CA -1.581 53.253 54.840 -0.009 0.000 0.848 205 L CB 1.950 43.983 42.059 -0.044 0.000 1.225 205 L HN 0.430 nan 8.230 nan 0.000 0.410 206 P HA 0.324 nan 4.420 nan 0.000 0.275 206 P C -0.759 176.539 177.300 -0.004 0.000 1.227 206 P CA -0.107 62.997 63.100 0.007 0.000 0.781 206 P CB 0.865 32.565 31.700 -0.000 0.000 0.906 207 L N 3.514 124.744 121.223 0.011 0.000 2.334 207 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 207 L C 1.781 178.640 176.870 -0.020 0.000 1.013 207 L CA -0.841 53.991 54.840 -0.013 0.000 0.816 207 L CB 1.811 43.888 42.059 0.029 0.000 1.278 207 L HN 0.361 nan 8.230 nan 0.000 0.431 208 R N 1.721 122.163 120.500 -0.096 0.000 2.083 208 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 208 R C -0.582 175.752 176.300 0.056 0.000 1.137 208 R CA 1.705 57.762 56.100 -0.072 0.000 0.951 208 R CB -0.296 29.877 30.300 -0.212 0.000 0.851 208 R HN 0.628 nan 8.270 nan 0.000 0.434 209 Y N -4.614 115.712 120.300 0.044 0.000 2.814 209 Y HA 0.506 5.056 4.550 -0.000 0.000 0.348 209 Y C 0.180 176.079 175.900 -0.002 0.000 1.245 209 Y CA -1.057 57.046 58.100 0.005 0.000 1.086 209 Y CB 0.118 38.564 38.460 -0.023 0.000 1.373 209 Y HN -0.063 nan 8.280 nan 0.000 0.451 210 G N 0.449 109.306 108.800 0.094 0.000 3.022 210 G HA2 0.207 4.167 3.960 -0.000 0.000 0.157 210 G HA3 0.207 4.167 3.960 -0.000 0.000 0.157 210 G C 0.583 175.297 174.900 -0.311 0.000 1.691 210 G CA 0.188 45.093 45.100 -0.324 0.000 1.079 210 G HN 0.766 nan 8.290 nan 0.000 0.549 211 M N 0.103 119.364 119.600 -0.565 0.000 2.108 211 M HA 0.039 4.518 4.480 -0.000 0.000 0.261 211 M C 0.392 176.700 176.300 0.014 0.000 1.066 211 M CA 1.157 56.315 55.300 -0.237 0.000 1.107 211 M CB -0.293 32.176 32.600 -0.218 0.000 1.356 211 M HN 0.328 nan 8.290 nan 0.000 0.406 212 N N -2.004 116.665 118.700 -0.052 0.000 2.321 212 N HA 0.286 5.025 4.740 -0.000 0.000 0.290 212 N C -2.358 172.997 175.510 -0.258 0.000 1.212 212 N CA -1.359 51.662 53.050 -0.049 0.000 0.767 212 N CB 1.049 39.514 38.487 -0.036 0.000 1.494 212 N HN -0.240 nan 8.380 nan 0.000 0.479 213 P HA -0.162 nan 4.420 nan 0.000 0.216 213 P C 0.764 177.841 177.300 -0.372 0.000 1.150 213 P CA 1.684 64.209 63.100 -0.957 0.000 0.843 213 P CB -0.066 31.250 31.700 -0.640 0.000 0.787 214 H N -2.632 116.310 119.070 -0.213 0.000 2.556 214 H HA 0.169 4.725 4.556 -0.000 0.000 0.268 214 H C 0.497 175.789 175.328 -0.060 0.000 0.996 214 H CA -0.032 55.951 56.048 -0.109 0.000 1.157 214 H CB -0.799 28.917 29.762 -0.077 0.000 1.355 214 H HN 0.144 nan 8.280 nan 0.000 0.597 215 Q N 1.353 120.885 119.800 -0.446 0.000 2.430 215 Q HA 0.384 4.724 4.340 -0.000 0.000 0.245 215 Q C -0.943 175.003 176.000 -0.089 0.000 1.021 215 Q CA -0.599 55.027 55.803 -0.295 0.000 0.867 215 Q CB 1.530 30.034 28.738 -0.391 0.000 1.210 215 Q HN 0.316 nan 8.270 nan 0.000 0.487 216 S N 2.140 117.821 115.700 -0.032 0.000 2.556 216 S HA 0.709 5.179 4.470 -0.000 0.000 0.271 216 S C -2.342 172.270 174.600 0.020 0.000 1.135 216 S CA -1.024 57.192 58.200 0.027 0.000 0.858 216 S CB 1.096 64.329 63.200 0.056 0.000 1.114 216 S HN 0.552 nan 8.310 nan 0.000 0.468 217 P HA 0.867 nan 4.420 nan 0.000 0.297 217 P C -1.436 175.906 177.300 0.070 0.000 1.307 217 P CA -0.638 62.495 63.100 0.056 0.000 0.773 217 P CB 1.021 32.751 31.700 0.050 0.000 1.265 218 A N -0.346 122.533 122.820 0.098 0.000 2.587 218 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 218 A C -1.289 176.382 177.584 0.146 0.000 1.087 218 A CA -0.516 51.617 52.037 0.159 0.000 0.692 218 A CB 1.844 20.977 19.000 0.222 0.000 1.291 218 A HN 0.793 nan 8.150 nan 0.000 0.407 219 Q N -0.088 119.817 119.800 0.174 0.000 2.633 219 Q HA 0.741 5.081 4.340 -0.000 0.000 0.289 219 Q C -2.108 173.949 176.000 0.095 0.000 0.940 219 Q CA -0.860 55.017 55.803 0.123 0.000 0.785 219 Q CB 1.502 30.325 28.738 0.142 0.000 1.467 219 Q HN 1.055 nan 8.270 nan 0.000 0.401 220 L N 2.226 123.476 121.223 0.045 0.000 2.365 220 L HA 0.814 5.154 4.340 -0.000 0.000 0.273 220 L C -1.675 175.246 176.870 0.086 0.000 1.000 220 L CA -0.346 54.470 54.840 -0.040 0.000 0.819 220 L CB 1.811 43.790 42.059 -0.133 0.000 1.284 220 L HN 0.788 nan 8.230 nan 0.000 0.418 221 Y N 0.915 121.177 120.300 -0.063 0.000 2.725 221 Y HA 0.802 5.352 4.550 -0.000 0.000 0.333 221 Y C -1.338 174.539 175.900 -0.038 0.000 1.242 221 Y CA -0.832 57.242 58.100 -0.043 0.000 1.059 221 Y CB 1.349 39.800 38.460 -0.016 0.000 1.306 221 Y HN 0.684 nan 8.280 nan 0.000 0.454 222 T N -0.068 114.646 114.554 0.266 0.000 2.982 222 T HA 0.331 4.681 4.350 -0.000 0.000 0.321 222 T C 0.287 175.129 174.700 0.236 0.000 1.229 222 T CA 0.006 62.188 62.100 0.137 0.000 1.044 222 T CB 1.182 70.071 68.868 0.034 0.000 1.184 222 T HN 1.169 nan 8.240 nan 0.000 0.477 223 T N 1.362 116.030 114.554 0.191 0.000 3.118 223 T HA 0.225 4.574 4.350 -0.000 0.000 0.260 223 T C 0.915 175.673 174.700 0.097 0.000 1.139 223 T CA 0.132 62.321 62.100 0.150 0.000 1.085 223 T CB -0.159 68.785 68.868 0.125 0.000 0.934 223 T HN 0.496 nan 8.240 nan 0.000 0.518 224 R N 1.488 122.044 120.500 0.093 0.000 2.649 224 R HA 0.248 4.587 4.340 -0.000 0.000 0.270 224 R C -1.688 174.650 176.300 0.064 0.000 1.105 224 R CA -1.886 54.259 56.100 0.076 0.000 1.193 224 R CB -0.206 30.150 30.300 0.094 0.000 1.120 224 R HN 0.037 nan 8.270 nan 0.000 0.561 225 P HA -0.094 nan 4.420 nan 0.000 0.220 225 P C -0.323 176.997 177.300 0.033 0.000 1.148 225 P CA 1.440 64.564 63.100 0.040 0.000 0.803 225 P CB 0.348 32.066 31.700 0.030 0.000 0.782 226 K N -1.228 119.189 120.400 0.029 0.000 2.532 226 K HA 0.389 4.709 4.320 -0.000 0.000 0.265 226 K C -1.299 175.293 176.600 -0.013 0.000 0.948 226 K CA -0.831 55.460 56.287 0.007 0.000 0.842 226 K CB 1.291 33.791 32.500 -0.000 0.000 1.392 226 K HN -0.191 nan 8.250 nan 0.000 0.436 227 L N 4.165 125.358 121.223 -0.049 0.000 2.326 227 L HA 0.337 4.677 4.340 -0.000 0.000 0.278 227 L C -1.318 175.453 176.870 -0.166 0.000 1.092 227 L CA -1.557 53.213 54.840 -0.116 0.000 0.810 227 L CB 1.309 43.297 42.059 -0.119 0.000 1.153 227 L HN 0.650 nan 8.230 nan 0.000 0.439 228 P HA -0.032 nan 4.420 nan 0.000 0.236 228 P C -0.073 177.031 177.300 -0.328 0.000 1.177 228 P CA 0.335 63.247 63.100 -0.313 0.000 0.773 228 P CB 0.502 31.852 31.700 -0.584 0.000 0.878 229 L N 1.662 122.686 121.223 -0.333 0.000 2.282 229 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 229 L C -0.231 176.519 176.870 -0.200 0.000 1.033 229 L CA -0.251 54.408 54.840 -0.301 0.000 0.807 229 L CB 1.232 43.096 42.059 -0.325 0.000 1.209 229 L HN -0.112 nan 8.230 nan 0.000 0.423 230 T N 1.888 116.346 114.554 -0.160 0.000 2.861 230 T HA 0.624 4.974 4.350 -0.000 0.000 0.287 230 T C -0.506 174.138 174.700 -0.093 0.000 1.003 230 T CA -0.810 61.224 62.100 -0.111 0.000 0.977 230 T CB 1.327 70.144 68.868 -0.085 0.000 0.996 230 T HN 0.261 nan 8.240 nan 0.000 0.448 231 V N 4.011 123.873 119.914 -0.087 0.000 2.470 231 V HA 0.141 4.261 4.120 -0.000 0.000 0.276 231 V C 1.189 177.230 176.094 -0.088 0.000 1.040 231 V CA -0.208 62.041 62.300 -0.087 0.000 1.008 231 V CB 0.822 32.596 31.823 -0.081 0.000 0.990 231 V HN 0.930 nan 8.190 nan 0.000 0.477 232 V N 3.697 123.543 119.914 -0.114 0.000 3.263 232 V HA 0.211 4.331 4.120 -0.000 0.000 0.248 232 V C 0.585 176.593 176.094 -0.144 0.000 1.145 232 V CA 0.663 62.882 62.300 -0.135 0.000 1.107 232 V CB -0.204 31.494 31.823 -0.209 0.000 0.797 232 V HN 0.930 nan 8.190 nan 0.000 0.467 233 N N -1.570 117.038 118.700 -0.152 0.000 2.710 233 N HA 0.532 5.272 4.740 -0.000 0.000 0.257 233 N C -0.005 175.436 175.510 -0.116 0.000 1.327 233 N CA 0.575 53.550 53.050 -0.126 0.000 0.861 233 N CB 1.793 40.197 38.487 -0.138 0.000 1.532 233 N HN 0.357 nan 8.380 nan 0.000 0.499 234 G N 0.696 109.448 108.800 -0.080 0.000 2.598 234 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.269 234 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.269 234 G C -0.703 174.156 174.900 -0.068 0.000 1.289 234 G CA 0.174 45.233 45.100 -0.069 0.000 0.926 234 G HN 1.301 nan 8.290 nan 0.000 0.567 235 S N 1.038 116.701 115.700 -0.062 0.000 2.677 235 S HA 0.711 5.181 4.470 -0.000 0.000 0.283 235 S C -2.556 172.008 174.600 -0.060 0.000 1.159 235 S CA -0.023 58.142 58.200 -0.058 0.000 1.001 235 S CB 2.234 65.407 63.200 -0.045 0.000 1.032 235 S HN 0.833 nan 8.310 nan 0.000 0.487 236 P HA 0.481 nan 4.420 nan 0.000 0.281 236 P C 0.181 177.420 177.300 -0.102 0.000 1.249 236 P CA -0.261 62.799 63.100 -0.067 0.000 0.810 236 P CB 1.124 32.769 31.700 -0.091 0.000 1.008 237 G N 0.104 108.843 108.800 -0.103 0.000 2.613 237 G HA2 0.270 4.230 3.960 -0.000 0.000 0.303 237 G HA3 0.270 4.230 3.960 -0.000 0.000 0.303 237 G C 0.115 174.966 174.900 -0.082 0.000 1.312 237 G CA -0.683 44.334 45.100 -0.137 0.000 1.036 237 G HN 0.407 nan 8.290 nan 0.000 0.513 238 F N -0.161 119.675 119.950 -0.190 0.000 2.051 238 F HA -0.016 4.510 4.527 -0.000 0.000 0.296 238 F C 2.539 178.284 175.800 -0.092 0.000 1.122 238 F CA 1.462 59.390 58.000 -0.120 0.000 1.201 238 F CB -0.103 38.851 39.000 -0.077 0.000 0.978 238 F HN 0.231 nan 8.300 nan 0.000 0.472 239 I N 0.292 121.034 120.570 0.286 0.000 2.361 239 I HA -0.338 3.832 4.170 -0.000 0.000 0.251 239 I C 1.953 178.060 176.117 -0.015 0.000 1.133 239 I CA 1.574 62.980 61.300 0.177 0.000 1.413 239 I CB -0.790 37.318 38.000 0.180 0.000 1.073 239 I HN 0.293 nan 8.210 nan 0.000 0.424 240 N N 0.860 119.515 118.700 -0.075 0.000 2.104 240 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 240 N C 1.924 177.122 175.510 -0.521 0.000 1.024 240 N CA 1.090 54.000 53.050 -0.234 0.000 0.853 240 N CB -0.064 38.336 38.487 -0.145 0.000 1.008 240 N HN 0.289 nan 8.380 nan 0.000 0.424 241 L N 0.194 121.175 121.223 -0.403 0.000 2.109 241 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 241 L C 2.357 179.000 176.870 -0.378 0.000 1.086 241 L CA 0.617 55.191 54.840 -0.443 0.000 0.760 241 L CB -0.369 41.444 42.059 -0.411 0.000 0.910 241 L HN 0.377 nan 8.230 nan 0.000 0.437 242 C N -0.203 118.925 119.300 -0.287 0.000 2.425 242 C HA -0.162 4.297 4.460 -0.000 0.000 0.277 242 C C 2.427 177.348 174.990 -0.116 0.000 1.280 242 C CA 0.563 59.489 59.018 -0.152 0.000 1.744 242 C CB -0.727 27.003 27.740 -0.017 0.000 1.989 242 C HN 0.546 nan 8.230 nan 0.000 0.491 243 D N 0.731 121.038 120.400 -0.155 0.000 2.103 243 D HA -0.027 4.613 4.640 -0.000 0.000 0.199 243 D C 2.371 178.417 176.300 -0.425 0.000 0.978 243 D CA 1.550 55.475 54.000 -0.126 0.000 0.829 243 D CB -0.564 40.257 40.800 0.035 0.000 0.981 243 D HN 0.447 nan 8.370 nan 0.000 0.464 244 A N 1.192 123.625 122.820 -0.645 0.000 1.892 244 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 244 A C 2.421 179.817 177.584 -0.314 0.000 1.188 244 A CA 1.253 52.920 52.037 -0.617 0.000 0.631 244 A CB -0.943 17.536 19.000 -0.869 0.000 0.822 244 A HN 0.215 nan 8.150 nan 0.000 0.447 245 L N -0.596 120.453 121.223 -0.290 0.000 2.156 245 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 245 L C 2.312 179.082 176.870 -0.167 0.000 1.095 245 L CA 0.963 55.708 54.840 -0.159 0.000 0.770 245 L CB -0.523 41.446 42.059 -0.150 0.000 0.914 245 L HN 0.420 nan 8.230 nan 0.000 0.439 246 N N 0.153 118.688 118.700 -0.275 0.000 2.250 246 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 246 N C 1.919 176.985 175.510 -0.739 0.000 1.017 246 N CA 1.309 54.152 53.050 -0.346 0.000 0.866 246 N CB 0.036 38.505 38.487 -0.031 0.000 0.985 246 N HN 0.264 nan 8.380 nan 0.000 0.429 247 A N 1.468 123.652 122.820 -1.059 0.000 1.902 247 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 247 A C 2.026 179.402 177.584 -0.346 0.000 1.181 247 A CA 0.853 52.312 52.037 -0.963 0.000 0.623 247 A CB -1.094 17.452 19.000 -0.757 0.000 0.818 247 A HN 0.594 nan 8.150 nan 0.000 0.443 248 W N 0.893 121.971 121.300 -0.370 0.000 2.335 248 W HA -0.246 4.414 4.660 -0.000 0.000 0.311 248 W C 2.000 178.368 176.519 -0.252 0.000 1.213 248 W CA 1.993 59.199 57.345 -0.231 0.000 1.274 248 W CB -0.308 29.040 29.460 -0.187 0.000 1.148 248 W HN 0.527 nan 8.180 nan 0.000 0.498 249 Q N 0.627 120.135 119.800 -0.486 0.000 2.084 249 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 249 Q C 2.490 178.080 176.000 -0.684 0.000 0.978 249 Q CA 1.841 57.267 55.803 -0.629 0.000 0.844 249 Q CB -0.637 27.712 28.738 -0.649 0.000 0.898 249 Q HN 0.400 nan 8.270 nan 0.000 0.426 250 L N 0.902 121.674 121.223 -0.752 0.000 1.994 250 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 250 L C 2.399 179.140 176.870 -0.215 0.000 1.071 250 L CA 1.451 56.077 54.840 -0.356 0.000 0.745 250 L CB -0.299 41.695 42.059 -0.109 0.000 0.892 250 L HN 0.240 nan 8.230 nan 0.000 0.431 251 V N -2.607 117.147 119.914 -0.266 0.000 2.515 251 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 251 V C 2.483 178.357 176.094 -0.367 0.000 1.058 251 V CA 1.957 64.118 62.300 -0.231 0.000 1.064 251 V CB -0.870 30.851 31.823 -0.170 0.000 0.675 251 V HN 0.491 nan 8.190 nan 0.000 0.461 252 K N 0.568 120.586 120.400 -0.637 0.000 2.026 252 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 252 K C 2.253 178.667 176.600 -0.311 0.000 1.048 252 K CA 2.112 58.020 56.287 -0.630 0.000 0.929 252 K CB -0.248 31.728 32.500 -0.873 0.000 0.713 252 K HN 0.670 nan 8.250 nan 0.000 0.439 253 E N 0.629 120.688 120.200 -0.236 0.000 2.110 253 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 253 E C 2.145 178.701 176.600 -0.072 0.000 0.988 253 E CA 1.056 57.393 56.400 -0.106 0.000 0.804 253 E CB -0.056 29.633 29.700 -0.019 0.000 0.745 253 E HN 0.312 nan 8.360 nan 0.000 0.458 254 L N 0.879 122.059 121.223 -0.072 0.000 2.017 254 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 254 L C 2.575 179.418 176.870 -0.045 0.000 1.073 254 L CA 1.134 55.953 54.840 -0.035 0.000 0.745 254 L CB -0.358 41.689 42.059 -0.021 0.000 0.894 254 L HN 0.048 nan 8.230 nan 0.000 0.432 255 K N 0.531 120.883 120.400 -0.079 0.000 2.009 255 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 255 K C 2.069 178.636 176.600 -0.055 0.000 1.049 255 K CA 1.710 57.956 56.287 -0.068 0.000 0.929 255 K CB -0.273 32.165 32.500 -0.103 0.000 0.714 255 K HN 0.278 nan 8.250 nan 0.000 0.440 256 Q N -0.911 118.846 119.800 -0.071 0.000 2.226 256 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 256 Q C 1.906 177.883 176.000 -0.037 0.000 0.975 256 Q CA 1.422 57.194 55.803 -0.053 0.000 0.866 256 Q CB -0.097 28.603 28.738 -0.062 0.000 0.915 256 Q HN 0.461 nan 8.270 nan 0.000 0.440 257 A N -0.016 122.785 122.820 -0.032 0.000 1.984 257 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 257 A C 1.682 179.261 177.584 -0.009 0.000 1.173 257 A CA 0.514 52.539 52.037 -0.021 0.000 0.673 257 A CB 0.176 19.167 19.000 -0.014 0.000 0.830 257 A HN 0.252 nan 8.150 nan 0.000 0.453 258 L N -1.838 119.380 121.223 -0.007 0.000 2.731 258 L HA 0.298 4.638 4.340 -0.000 0.000 0.240 258 L C 1.563 178.431 176.870 -0.004 0.000 1.120 258 L CA 0.430 55.270 54.840 -0.000 0.000 0.913 258 L CB 0.177 42.240 42.059 0.007 0.000 1.213 258 L HN 0.468 nan 8.230 nan 0.000 0.515 259 G N 1.660 110.454 108.800 -0.010 0.000 2.180 259 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 259 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 259 G C 0.226 175.123 174.900 -0.004 0.000 0.989 259 G CA 0.509 45.603 45.100 -0.009 0.000 0.692 259 G HN 0.346 nan 8.290 nan 0.000 0.526 260 I N 0.307 120.876 120.570 -0.002 0.000 2.493 260 I HA 0.329 4.499 4.170 -0.000 0.000 0.298 260 I C -2.181 173.939 176.117 0.004 0.000 0.998 260 I CA -2.778 58.525 61.300 0.005 0.000 1.137 260 I CB 2.094 40.102 38.000 0.013 0.000 1.310 260 I HN -0.218 nan 8.210 nan 0.000 0.445 261 P HA 0.062 nan 4.420 nan 0.000 0.264 261 P C -1.008 176.305 177.300 0.023 0.000 1.193 261 P CA 0.187 63.295 63.100 0.014 0.000 0.763 261 P CB 0.590 32.305 31.700 0.024 0.000 0.810 262 A N 2.774 125.602 122.820 0.013 0.000 2.380 262 A HA 0.878 5.197 4.320 -0.000 0.000 0.315 262 A C -0.975 176.642 177.584 0.055 0.000 1.101 262 A CA -0.488 51.565 52.037 0.027 0.000 0.771 262 A CB 1.730 20.727 19.000 -0.005 0.000 1.287 262 A HN 0.508 nan 8.150 nan 0.000 0.436 263 A N -0.121 122.761 122.820 0.103 0.000 2.556 263 A HA 0.961 5.281 4.320 -0.000 0.000 0.294 263 A C -0.442 177.261 177.584 0.199 0.000 1.091 263 A CA -0.021 52.121 52.037 0.174 0.000 0.704 263 A CB 1.489 20.660 19.000 0.284 0.000 1.300 263 A HN 2.519 nan 8.150 nan 0.000 0.406 264 A N -0.033 122.943 122.820 0.261 0.000 2.498 264 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 264 A C -0.470 177.362 177.584 0.414 0.000 1.075 264 A CA -0.088 52.138 52.037 0.316 0.000 0.714 264 A CB 1.591 20.797 19.000 0.344 0.000 1.299 264 A HN 1.770 nan 8.150 nan 0.000 0.407 265 S N 1.191 117.129 115.700 0.396 0.000 2.669 265 S HA 0.685 5.155 4.470 -0.000 0.000 0.315 265 S C -1.359 173.471 174.600 0.382 0.000 1.106 265 S CA -0.295 58.138 58.200 0.388 0.000 1.107 265 S CB -0.390 62.961 63.200 0.252 0.000 0.990 265 S HN 0.422 nan 8.310 nan 0.000 0.471 266 F N 3.274 123.356 119.950 0.219 0.000 2.399 266 F HA 0.752 5.279 4.527 -0.000 0.000 0.328 266 F C 0.304 176.216 175.800 0.186 0.000 1.084 266 F CA -0.624 57.496 58.000 0.200 0.000 1.053 266 F CB 1.711 40.832 39.000 0.202 0.000 1.209 266 F HN 0.471 nan 8.300 nan 0.000 0.502 267 K N 1.624 122.138 120.400 0.191 0.000 2.635 267 K HA 0.275 4.595 4.320 -0.000 0.000 0.266 267 K C -0.997 175.714 176.600 0.185 0.000 1.033 267 K CA -0.344 56.036 56.287 0.155 0.000 0.919 267 K CB 0.014 32.605 32.500 0.152 0.000 1.289 267 K HN 0.598 nan 8.250 nan 0.000 0.463 268 H N 3.012 122.190 119.070 0.181 0.000 2.819 268 H HA -0.126 4.430 4.556 -0.000 0.000 0.315 268 H C -0.342 175.084 175.328 0.162 0.000 1.242 268 H CA 1.065 57.206 56.048 0.155 0.000 1.157 268 H CB -1.524 28.308 29.762 0.116 0.000 1.451 268 H HN 0.731 nan 8.280 nan 0.000 0.430 269 V N -1.411 118.701 119.914 0.331 0.000 4.935 269 V HA -0.297 3.823 4.120 -0.000 0.000 0.273 269 V C 0.567 176.864 176.094 0.338 0.000 0.517 269 V CA 1.587 64.130 62.300 0.404 0.000 0.745 269 V CB -1.788 30.205 31.823 0.284 0.000 0.647 269 V HN 0.640 nan 8.190 nan 0.000 1.220 270 S N 0.075 115.784 115.700 0.014 0.000 2.535 270 S HA 0.600 5.069 4.470 -0.000 0.000 0.272 270 S C -2.797 171.231 174.600 -0.954 0.000 1.149 270 S CA -0.706 57.315 58.200 -0.299 0.000 0.888 270 S CB 3.359 66.524 63.200 -0.058 0.000 1.110 270 S HN 0.303 nan 8.310 nan 0.000 0.463 271 P HA 0.288 nan 4.420 nan 0.000 0.275 271 P C -0.095 177.027 177.300 -0.296 0.000 1.227 271 P CA -0.237 62.333 63.100 -0.883 0.000 0.781 271 P CB 1.126 32.588 31.700 -0.396 0.000 0.906 272 A N 3.055 125.792 122.820 -0.138 0.000 1.997 272 A HA 0.465 4.784 4.320 -0.000 0.000 0.212 272 A C 1.074 178.670 177.584 0.021 0.000 1.178 272 A CA 1.214 53.247 52.037 -0.006 0.000 0.698 272 A CB -0.457 18.582 19.000 0.065 0.000 0.842 272 A HN 0.680 nan 8.150 nan 0.000 0.458 273 G N -2.497 106.322 108.800 0.032 0.000 2.677 273 G HA2 0.688 4.648 3.960 -0.000 0.000 0.291 273 G HA3 0.688 4.648 3.960 -0.000 0.000 0.291 273 G C -1.263 173.685 174.900 0.080 0.000 1.435 273 G CA 0.124 45.249 45.100 0.043 0.000 0.826 273 G HN 1.243 nan 8.290 nan 0.000 0.491 274 A N -1.011 121.850 122.820 0.067 0.000 2.594 274 A HA 1.111 5.430 4.320 -0.000 0.000 0.296 274 A C -0.465 177.156 177.584 0.062 0.000 1.061 274 A CA 0.323 52.420 52.037 0.100 0.000 0.689 274 A CB 1.265 20.337 19.000 0.121 0.000 1.280 274 A HN 2.677 nan 8.150 nan 0.000 0.406 275 A N -0.157 122.706 122.820 0.071 0.000 2.544 275 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 275 A C -0.843 176.774 177.584 0.056 0.000 1.055 275 A CA 0.079 52.147 52.037 0.052 0.000 0.651 275 A CB 0.177 19.205 19.000 0.045 0.000 1.296 275 A HN 2.342 nan 8.150 nan 0.000 0.431 276 V N -1.394 118.548 119.914 0.045 0.000 2.881 276 V HA 0.847 4.966 4.120 -0.000 0.000 0.316 276 V C 0.887 177.011 176.094 0.050 0.000 1.070 276 V CA -0.095 62.229 62.300 0.041 0.000 0.976 276 V CB 1.499 33.339 31.823 0.028 0.000 1.038 276 V HN 1.980 nan 8.190 nan 0.000 0.446 277 G N 3.166 111.996 108.800 0.050 0.000 3.180 277 G HA2 0.178 4.138 3.960 -0.000 0.000 0.246 277 G HA3 0.178 4.138 3.960 -0.000 0.000 0.246 277 G C 0.301 175.233 174.900 0.054 0.000 0.939 277 G CA -0.196 44.937 45.100 0.056 0.000 1.920 277 G HN 0.513 nan 8.290 nan 0.000 0.612 278 I N 2.154 122.759 120.570 0.058 0.000 2.598 278 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 278 I C -1.598 174.564 176.117 0.076 0.000 1.140 278 I CA -3.129 58.208 61.300 0.061 0.000 1.420 278 I CB 0.532 38.571 38.000 0.065 0.000 1.387 278 I HN 0.149 nan 8.210 nan 0.000 0.553 279 P HA 0.080 nan 4.420 nan 0.000 0.264 279 P C -0.556 176.817 177.300 0.122 0.000 1.193 279 P CA -0.383 62.764 63.100 0.079 0.000 0.763 279 P CB 0.629 32.361 31.700 0.054 0.000 0.810 280 L N 2.779 124.101 121.223 0.166 0.000 2.436 280 L HA 0.175 4.515 4.340 -0.000 0.000 0.265 280 L C 1.513 178.527 176.870 0.240 0.000 1.168 280 L CA 0.425 55.388 54.840 0.204 0.000 0.815 280 L CB 0.033 42.218 42.059 0.210 0.000 1.109 280 L HN 0.457 nan 8.230 nan 0.000 0.462 281 S N 0.246 116.034 115.700 0.147 0.000 2.624 281 S HA 0.150 4.620 4.470 -0.000 0.000 0.263 281 S C 0.922 175.455 174.600 -0.112 0.000 1.287 281 S CA -0.382 57.869 58.200 0.085 0.000 0.990 281 S CB 0.543 63.795 63.200 0.086 0.000 0.950 281 S HN 0.700 nan 8.310 nan 0.000 0.561 282 E N 0.163 120.237 120.200 -0.210 0.000 2.268 282 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 282 E C 1.634 177.937 176.600 -0.495 0.000 0.995 282 E CA 0.949 57.007 56.400 -0.571 0.000 0.836 282 E CB -0.011 29.486 29.700 -0.339 0.000 0.763 282 E HN 0.715 nan 8.360 nan 0.000 0.491 283 E N 0.391 120.459 120.200 -0.221 0.000 2.028 283 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 283 E C 2.017 178.518 176.600 -0.164 0.000 0.984 283 E CA 0.964 57.276 56.400 -0.147 0.000 0.800 283 E CB -0.087 29.611 29.700 -0.003 0.000 0.758 283 E HN 0.156 nan 8.360 nan 0.000 0.448 284 E N 1.077 121.238 120.200 -0.065 0.000 2.058 284 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 284 E C 1.876 178.433 176.600 -0.072 0.000 0.997 284 E CA 1.392 57.787 56.400 -0.007 0.000 0.801 284 E CB -0.339 29.448 29.700 0.145 0.000 0.746 284 E HN 0.253 nan 8.360 nan 0.000 0.450 285 A N 0.267 122.997 122.820 -0.150 0.000 1.986 285 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 285 A C 2.167 179.663 177.584 -0.147 0.000 1.171 285 A CA 1.981 53.923 52.037 -0.159 0.000 0.640 285 A CB -0.563 18.156 19.000 -0.468 0.000 0.811 285 A HN 0.379 nan 8.150 nan 0.000 0.451 286 Q N -0.780 118.887 119.800 -0.222 0.000 2.137 286 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 286 Q C 1.914 177.846 176.000 -0.114 0.000 0.960 286 Q CA 1.290 57.017 55.803 -0.125 0.000 0.847 286 Q CB -0.026 28.631 28.738 -0.134 0.000 0.915 286 Q HN 0.457 nan 8.270 nan 0.000 0.448 287 V N -0.190 119.616 119.914 -0.180 0.000 2.626 287 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 287 V C 1.682 177.722 176.094 -0.090 0.000 1.067 287 V CA 1.090 63.258 62.300 -0.221 0.000 1.081 287 V CB -0.120 31.414 31.823 -0.481 0.000 0.686 287 V HN 0.468 nan 8.190 nan 0.000 0.468 288 C N 0.348 119.625 119.300 -0.038 0.000 2.693 288 C HA 0.311 4.771 4.460 -0.000 0.000 0.286 288 C C 1.302 176.295 174.990 0.004 0.000 1.277 288 C CA -0.637 58.388 59.018 0.011 0.000 1.705 288 C CB -1.083 26.682 27.740 0.042 0.000 1.879 288 C HN 0.634 nan 8.230 nan 0.000 0.607 289 M N -0.127 119.465 119.600 -0.014 0.000 2.461 289 M HA -0.140 4.339 4.480 -0.000 0.000 0.203 289 M C 0.464 176.778 176.300 0.023 0.000 0.428 289 M CA 0.848 56.141 55.300 -0.012 0.000 0.509 289 M CB -2.323 30.262 32.600 -0.025 0.000 1.851 289 M HN 0.483 nan 8.290 nan 0.000 0.834 290 V N -4.567 115.378 119.914 0.051 0.000 3.172 290 V HA 0.231 4.351 4.120 -0.000 0.000 0.343 290 V C 1.614 177.799 176.094 0.152 0.000 1.429 290 V CA 0.346 62.700 62.300 0.090 0.000 1.149 290 V CB 0.043 31.926 31.823 0.100 0.000 1.106 290 V HN 0.471 nan 8.190 nan 0.000 0.526 291 H N 3.727 122.801 119.070 0.008 0.000 2.387 291 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 291 H C 1.875 177.235 175.328 0.054 0.000 1.099 291 H CA 2.475 58.522 56.048 -0.002 0.000 1.315 291 H CB -0.049 29.685 29.762 -0.048 0.000 1.380 291 H HN 0.781 nan 8.280 nan 0.000 0.513 292 D N -0.146 120.344 120.400 0.149 0.000 2.310 292 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 292 D C 1.735 178.096 176.300 0.103 0.000 0.965 292 D CA 0.571 54.609 54.000 0.063 0.000 0.879 292 D CB -0.388 40.417 40.800 0.009 0.000 0.921 292 D HN 0.434 nan 8.370 nan 0.000 0.510 293 L N -0.570 120.736 121.223 0.138 0.000 2.693 293 L HA 0.128 4.468 4.340 -0.000 0.000 0.235 293 L C 2.277 179.239 176.870 0.153 0.000 1.127 293 L CA -0.364 54.545 54.840 0.115 0.000 0.914 293 L CB -0.369 41.746 42.059 0.093 0.000 1.193 293 L HN 0.068 nan 8.230 nan 0.000 0.502 294 H N 1.942 121.077 119.070 0.109 0.000 2.260 294 H HA -0.261 4.295 4.556 -0.000 0.000 0.288 294 H C 1.429 176.802 175.328 0.075 0.000 1.094 294 H CA 2.042 58.150 56.048 0.100 0.000 1.197 294 H CB 0.432 30.282 29.762 0.146 0.000 1.346 294 H HN 0.105 nan 8.280 nan 0.000 0.486 295 K N -0.007 120.403 120.400 0.016 0.000 2.585 295 K HA -0.062 4.258 4.320 -0.000 0.000 0.194 295 K C 1.831 178.402 176.600 -0.050 0.000 1.037 295 K CA 1.284 57.532 56.287 -0.065 0.000 0.964 295 K CB -0.194 32.322 32.500 0.026 0.000 0.787 295 K HN 0.563 nan 8.250 nan 0.000 0.488 296 T N -3.118 111.423 114.554 -0.021 0.000 2.985 296 T HA 0.225 4.575 4.350 -0.000 0.000 0.254 296 T C 0.522 175.219 174.700 -0.005 0.000 1.021 296 T CA -0.418 61.679 62.100 -0.004 0.000 0.957 296 T CB 0.000 68.879 68.868 0.019 0.000 1.047 296 T HN -0.065 nan 8.240 nan 0.000 0.511 297 L N 4.050 125.263 121.223 -0.016 0.000 2.499 297 L HA 0.261 4.601 4.340 -0.000 0.000 0.273 297 L C 1.177 178.046 176.870 -0.002 0.000 1.195 297 L CA -0.236 54.608 54.840 0.006 0.000 0.882 297 L CB 0.332 42.401 42.059 0.018 0.000 1.133 297 L HN 0.425 nan 8.230 nan 0.000 0.483 298 T N 0.295 114.861 114.554 0.021 0.000 2.849 298 T HA 0.333 4.683 4.350 -0.000 0.000 0.276 298 T C -1.652 173.067 174.700 0.031 0.000 0.971 298 T CA -1.641 60.470 62.100 0.019 0.000 0.949 298 T CB 1.333 70.215 68.868 0.024 0.000 1.093 298 T HN 0.412 nan 8.240 nan 0.000 0.545 299 P HA -0.040 nan 4.420 nan 0.000 0.219 299 P C 1.713 179.045 177.300 0.054 0.000 1.150 299 P CA 0.454 63.577 63.100 0.039 0.000 0.814 299 P CB -0.011 31.706 31.700 0.029 0.000 0.787 300 L N 0.407 121.662 121.223 0.052 0.000 2.056 300 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 300 L C 2.427 179.359 176.870 0.104 0.000 1.078 300 L CA 1.956 56.837 54.840 0.067 0.000 0.749 300 L CB -1.524 40.563 42.059 0.047 0.000 0.901 300 L HN -0.104 nan 8.230 nan 0.000 0.433 301 A N -1.715 121.164 122.820 0.097 0.000 2.066 301 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 301 A C 2.305 179.976 177.584 0.144 0.000 1.157 301 A CA 1.520 53.637 52.037 0.133 0.000 0.670 301 A CB -0.613 18.447 19.000 0.100 0.000 0.804 301 A HN 0.524 nan 8.150 nan 0.000 0.453 302 S N -0.005 115.760 115.700 0.108 0.000 2.395 302 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 302 S C 2.278 176.938 174.600 0.101 0.000 1.027 302 S CA 0.846 59.107 58.200 0.101 0.000 0.965 302 S CB -0.314 62.936 63.200 0.084 0.000 0.812 302 S HN 0.758 nan 8.310 nan 0.000 0.482 303 A N 0.704 123.589 122.820 0.108 0.000 1.902 303 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 303 A C 1.983 179.641 177.584 0.124 0.000 1.181 303 A CA 1.513 53.613 52.037 0.106 0.000 0.623 303 A CB -0.869 18.194 19.000 0.105 0.000 0.818 303 A HN 0.555 nan 8.150 nan 0.000 0.443 304 Y N 0.467 120.811 120.300 0.073 0.000 2.263 304 Y HA 0.077 4.627 4.550 -0.000 0.000 0.292 304 Y C 2.598 178.552 175.900 0.091 0.000 1.130 304 Y CA 0.679 58.827 58.100 0.081 0.000 1.179 304 Y CB -0.559 37.944 38.460 0.071 0.000 0.998 304 Y HN 0.302 nan 8.280 nan 0.000 0.532 305 A N 0.646 123.405 122.820 -0.102 0.000 1.902 305 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 305 A C 2.318 179.835 177.584 -0.111 0.000 1.181 305 A CA 1.837 53.798 52.037 -0.127 0.000 0.623 305 A CB -0.582 18.438 19.000 0.034 0.000 0.818 305 A HN 0.506 nan 8.150 nan 0.000 0.443 306 R N -0.156 120.332 120.500 -0.019 0.000 2.115 306 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 306 R C 2.422 178.719 176.300 -0.005 0.000 1.111 306 R CA 1.410 57.538 56.100 0.047 0.000 0.976 306 R CB -0.279 30.070 30.300 0.081 0.000 0.870 306 R HN 0.537 nan 8.270 nan 0.000 0.445 307 S N 0.534 116.177 115.700 -0.094 0.000 2.355 307 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 307 S C 1.839 176.367 174.600 -0.120 0.000 1.031 307 S CA 0.862 59.016 58.200 -0.077 0.000 0.993 307 S CB -0.115 63.065 63.200 -0.032 0.000 0.859 307 S HN 0.300 nan 8.310 nan 0.000 0.453 308 R N 0.794 121.093 120.500 -0.335 0.000 2.236 308 R HA 0.020 4.360 4.340 -0.000 0.000 0.208 308 R C 2.260 178.535 176.300 -0.042 0.000 1.036 308 R CA 0.732 56.708 56.100 -0.207 0.000 1.001 308 R CB -0.393 29.686 30.300 -0.369 0.000 0.896 308 R HN 0.458 nan 8.270 nan 0.000 0.464 309 G N 0.070 108.862 108.800 -0.015 0.000 2.421 309 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 309 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 309 G C 1.458 176.508 174.900 0.251 0.000 1.143 309 G CA 0.624 45.796 45.100 0.120 0.000 0.784 309 G HN 0.393 nan 8.290 nan 0.000 0.541 310 A N 0.117 123.055 122.820 0.198 0.000 1.869 310 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 310 A C 1.302 179.039 177.584 0.254 0.000 1.203 310 A CA 1.921 54.081 52.037 0.204 0.000 0.638 310 A CB -0.191 18.837 19.000 0.045 0.000 0.831 310 A HN 0.316 nan 8.150 nan 0.000 0.450 311 D N -2.281 118.221 120.400 0.171 0.000 2.330 311 D HA 0.284 4.923 4.640 -0.000 0.000 0.249 311 D C 0.890 177.275 176.300 0.141 0.000 1.306 311 D CA -0.498 53.598 54.000 0.161 0.000 0.956 311 D CB 0.377 41.255 40.800 0.130 0.000 1.261 311 D HN 0.076 nan 8.370 nan 0.000 0.544 312 R N 2.095 122.679 120.500 0.140 0.000 2.103 312 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 312 R C 1.854 178.245 176.300 0.151 0.000 1.142 312 R CA 0.930 57.105 56.100 0.126 0.000 0.960 312 R CB -0.184 30.178 30.300 0.103 0.000 0.858 312 R HN 0.525 nan 8.270 nan 0.000 0.439 313 M N 0.205 119.886 119.600 0.136 0.000 2.159 313 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 313 M C 1.959 178.357 176.300 0.163 0.000 1.063 313 M CA 1.510 56.887 55.300 0.128 0.000 1.110 313 M CB -0.129 32.526 32.600 0.090 0.000 1.374 313 M HN 0.050 nan 8.290 nan 0.000 0.411 314 S N -0.402 115.393 115.700 0.158 0.000 2.446 314 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 314 S C 1.572 176.294 174.600 0.202 0.000 1.016 314 S CA 0.512 58.815 58.200 0.171 0.000 0.943 314 S CB 0.064 63.344 63.200 0.133 0.000 0.786 314 S HN 0.358 nan 8.310 nan 0.000 0.508 315 S N 1.461 117.277 115.700 0.194 0.000 2.786 315 S HA 0.224 4.694 4.470 -0.000 0.000 0.223 315 S C 0.035 174.765 174.600 0.217 0.000 0.956 315 S CA -0.261 58.053 58.200 0.190 0.000 0.961 315 S CB -0.425 62.865 63.200 0.150 0.000 0.784 315 S HN 0.504 nan 8.310 nan 0.000 0.519 316 F N 2.326 122.339 119.950 0.105 0.000 2.444 316 F HA 0.482 5.009 4.527 -0.000 0.000 0.360 316 F C 1.105 176.966 175.800 0.102 0.000 1.106 316 F CA 0.093 58.150 58.000 0.095 0.000 1.170 316 F CB -0.021 39.029 39.000 0.083 0.000 1.113 316 F HN 0.230 nan 8.300 nan 0.000 0.521 317 G N 4.271 112.849 108.800 -0.371 0.000 2.198 317 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.257 317 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.257 317 G C -0.369 174.547 174.900 0.026 0.000 1.042 317 G CA 0.126 45.101 45.100 -0.207 0.000 0.791 317 G HN 0.987 nan 8.290 nan 0.000 0.502 318 D N -0.702 119.745 120.400 0.079 0.000 2.329 318 D HA 0.508 5.148 4.640 -0.000 0.000 0.246 318 D C -0.183 176.229 176.300 0.187 0.000 1.111 318 D CA -0.855 53.251 54.000 0.177 0.000 0.941 318 D CB 1.176 42.106 40.800 0.218 0.000 1.169 318 D HN 0.082 nan 8.370 nan 0.000 0.441 319 F N 0.810 120.859 119.950 0.165 0.000 2.411 319 F HA 0.409 4.935 4.527 -0.000 0.000 0.352 319 F C -0.233 175.671 175.800 0.173 0.000 1.123 319 F CA -1.030 57.042 58.000 0.121 0.000 1.044 319 F CB 0.675 39.718 39.000 0.071 0.000 1.135 319 F HN 0.226 nan 8.300 nan 0.000 0.461 320 I N 5.175 125.695 120.570 -0.083 0.000 2.532 320 I HA 0.570 4.740 4.170 -0.000 0.000 0.292 320 I C -0.138 176.079 176.117 0.166 0.000 1.014 320 I CA -0.669 60.678 61.300 0.077 0.000 1.340 320 I CB 1.310 39.227 38.000 -0.139 0.000 1.422 320 I HN 0.696 nan 8.210 nan 0.000 0.528 321 A N 7.204 130.155 122.820 0.219 0.000 2.374 321 A HA 0.853 5.173 4.320 -0.000 0.000 0.305 321 A C -0.994 176.695 177.584 0.175 0.000 1.053 321 A CA -0.503 51.668 52.037 0.224 0.000 0.726 321 A CB 1.121 20.229 19.000 0.180 0.000 1.229 321 A HN 0.643 nan 8.150 nan 0.000 0.431 322 L N 2.278 123.605 121.223 0.173 0.000 2.386 322 L HA 0.402 4.742 4.340 -0.000 0.000 0.271 322 L C 1.415 178.363 176.870 0.129 0.000 0.993 322 L CA -0.518 54.388 54.840 0.110 0.000 0.819 322 L CB 2.279 44.360 42.059 0.036 0.000 1.294 322 L HN 0.920 nan 8.230 nan 0.000 0.414 323 S N -0.281 115.438 115.700 0.031 0.000 2.428 323 S HA 0.037 4.507 4.470 -0.000 0.000 0.230 323 S C 0.341 174.965 174.600 0.040 0.000 1.014 323 S CA 0.365 58.536 58.200 -0.048 0.000 0.957 323 S CB -0.046 63.091 63.200 -0.104 0.000 0.784 323 S HN 0.666 nan 8.310 nan 0.000 0.499 324 D N 0.358 120.780 120.400 0.035 0.000 2.493 324 D HA 0.446 5.086 4.640 -0.000 0.000 0.239 324 D C -0.385 175.896 176.300 -0.031 0.000 1.049 324 D CA -0.979 53.033 54.000 0.020 0.000 1.008 324 D CB 0.983 41.787 40.800 0.008 0.000 1.398 324 D HN 0.131 nan 8.370 nan 0.000 0.513 325 I N 1.076 121.616 120.570 -0.049 0.000 3.045 325 I HA -0.174 3.996 4.170 -0.000 0.000 0.306 325 I C 1.100 177.150 176.117 -0.111 0.000 1.232 325 I CA 0.288 61.521 61.300 -0.111 0.000 1.415 325 I CB -0.081 37.885 38.000 -0.057 0.000 1.364 325 I HN 0.233 nan 8.210 nan 0.000 0.538 326 C N 8.062 127.237 119.300 -0.210 0.000 2.633 326 C HA 0.081 4.541 4.460 -0.000 0.000 0.415 326 C C 0.585 175.571 174.990 -0.006 0.000 1.393 326 C CA -0.477 58.481 59.018 -0.099 0.000 1.700 326 C CB -1.205 26.483 27.740 -0.087 0.000 2.541 326 C HN 0.891 nan 8.230 nan 0.000 0.603 327 D N 4.029 124.437 120.400 0.013 0.000 2.539 327 D HA 0.275 4.915 4.640 -0.000 0.000 0.276 327 D C 0.902 177.225 176.300 0.037 0.000 1.206 327 D CA -0.637 53.379 54.000 0.026 0.000 1.081 327 D CB 0.244 41.056 40.800 0.021 0.000 1.142 327 D HN 0.244 nan 8.370 nan 0.000 0.595 328 V N -0.275 119.658 119.914 0.032 0.000 2.323 328 V HA -0.051 4.069 4.120 -0.000 0.000 0.244 328 V C -0.984 175.127 176.094 0.029 0.000 1.041 328 V CA 1.538 63.855 62.300 0.029 0.000 1.025 328 V CB -1.472 30.364 31.823 0.022 0.000 0.656 328 V HN 0.490 nan 8.190 nan 0.000 0.451 329 P HA -0.148 nan 4.420 nan 0.000 0.215 329 P C 1.826 179.159 177.300 0.055 0.000 1.157 329 P CA 1.934 65.059 63.100 0.042 0.000 0.874 329 P CB -0.205 31.521 31.700 0.043 0.000 0.790 330 T N -0.474 114.114 114.554 0.056 0.000 2.652 330 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 330 T C 1.907 176.617 174.700 0.017 0.000 1.039 330 T CA 1.811 63.946 62.100 0.059 0.000 1.153 330 T CB -1.103 67.786 68.868 0.036 0.000 0.863 330 T HN 0.057 nan 8.240 nan 0.000 0.428 331 A N 1.581 124.409 122.820 0.014 0.000 1.978 331 A HA -0.147 4.172 4.320 -0.000 0.000 0.220 331 A C 2.258 179.831 177.584 -0.019 0.000 1.170 331 A CA 1.590 53.625 52.037 -0.003 0.000 0.636 331 A CB -0.428 18.586 19.000 0.023 0.000 0.810 331 A HN 0.473 nan 8.150 nan 0.000 0.448 332 K N -0.578 119.825 120.400 0.004 0.000 2.062 332 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 332 K C 1.817 178.424 176.600 0.012 0.000 1.051 332 K CA 1.300 57.588 56.287 0.002 0.000 0.941 332 K CB -0.308 32.201 32.500 0.015 0.000 0.719 332 K HN 0.524 nan 8.250 nan 0.000 0.440 333 I N 1.272 121.872 120.570 0.050 0.000 2.142 333 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 333 I C 2.311 178.478 176.117 0.083 0.000 1.078 333 I CA 1.330 62.691 61.300 0.101 0.000 1.343 333 I CB -0.335 37.789 38.000 0.207 0.000 1.046 333 I HN 0.115 nan 8.210 nan 0.000 0.405 334 I N 0.744 121.326 120.570 0.020 0.000 2.091 334 I HA -0.400 3.770 4.170 -0.000 0.000 0.239 334 I C 2.890 178.929 176.117 -0.129 0.000 1.061 334 I CA 1.981 63.231 61.300 -0.084 0.000 1.317 334 I CB -0.719 37.160 38.000 -0.202 0.000 1.031 334 I HN 0.400 nan 8.210 nan 0.000 0.401 335 S N 2.670 118.283 115.700 -0.146 0.000 2.401 335 S HA -0.336 4.134 4.470 -0.000 0.000 0.236 335 S C 2.061 176.576 174.600 -0.142 0.000 1.058 335 S CA 2.150 60.242 58.200 -0.179 0.000 1.151 335 S CB -1.018 62.110 63.200 -0.119 0.000 1.049 335 S HN 0.576 nan 8.310 nan 0.000 0.432 336 R N 1.651 122.106 120.500 -0.075 0.000 2.285 336 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 336 R C 0.125 176.398 176.300 -0.044 0.000 1.068 336 R CA 0.786 56.853 56.100 -0.054 0.000 1.004 336 R CB -0.512 29.771 30.300 -0.028 0.000 0.873 336 R HN 0.467 nan 8.270 nan 0.000 0.467 337 E N 1.463 121.639 120.200 -0.041 0.000 2.250 337 E HA 0.219 4.569 4.350 -0.000 0.000 0.265 337 E C -0.538 176.013 176.600 -0.083 0.000 1.033 337 E CA -0.909 55.481 56.400 -0.016 0.000 0.888 337 E CB 2.023 31.760 29.700 0.063 0.000 1.151 337 E HN -0.142 nan 8.360 nan 0.000 0.412 338 V N 1.848 121.702 119.914 -0.099 0.000 2.356 338 V HA 0.157 4.277 4.120 -0.000 0.000 0.258 338 V C 0.398 176.340 176.094 -0.253 0.000 1.065 338 V CA 0.079 62.227 62.300 -0.252 0.000 0.935 338 V CB 0.386 31.903 31.823 -0.510 0.000 1.061 338 V HN 0.520 nan 8.190 nan 0.000 0.484 339 S N 2.565 118.168 115.700 -0.162 0.000 2.599 339 S HA 0.496 4.966 4.470 -0.000 0.000 0.287 339 S C 0.257 174.907 174.600 0.083 0.000 1.105 339 S CA -0.555 57.625 58.200 -0.033 0.000 0.899 339 S CB 2.180 65.399 63.200 0.032 0.000 1.100 339 S HN 0.722 nan 8.310 nan 0.000 0.482 340 D N 0.699 121.143 120.400 0.073 0.000 2.389 340 D HA 0.445 5.085 4.640 -0.000 0.000 0.206 340 D C 0.487 176.711 176.300 -0.127 0.000 1.055 340 D CA 1.111 55.150 54.000 0.065 0.000 0.856 340 D CB 0.740 41.595 40.800 0.092 0.000 0.957 340 D HN 0.793 nan 8.370 nan 0.000 0.509 341 G N -1.186 107.333 108.800 -0.468 0.000 2.313 341 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 341 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 341 G C -2.083 171.899 174.900 -1.529 0.000 1.356 341 G CA -0.176 44.152 45.100 -1.287 0.000 0.833 341 G HN 0.179 nan 8.290 nan 0.000 0.552 342 V N -1.231 117.886 119.914 -1.329 0.000 3.120 342 V HA 0.847 4.967 4.120 -0.000 0.000 0.303 342 V C -1.411 174.628 176.094 -0.092 0.000 1.238 342 V CA -0.414 61.510 62.300 -0.627 0.000 1.008 342 V CB 1.954 33.681 31.823 -0.159 0.000 1.064 342 V HN 1.853 nan 8.190 nan 0.000 0.434 343 V N 5.066 125.083 119.914 0.172 0.000 2.686 343 V HA 1.028 5.148 4.120 -0.000 0.000 0.306 343 V C -0.322 175.841 176.094 0.116 0.000 1.065 343 V CA 0.506 62.934 62.300 0.214 0.000 0.894 343 V CB 1.525 33.491 31.823 0.239 0.000 1.004 343 V HN 1.915 nan 8.190 nan 0.000 0.424 344 A N 7.075 129.865 122.820 -0.050 0.000 2.594 344 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 344 A C -2.662 174.757 177.584 -0.275 0.000 1.105 344 A CA -0.951 50.979 52.037 -0.177 0.000 0.694 344 A CB 1.928 20.596 19.000 -0.554 0.000 1.291 344 A HN 0.551 nan 8.150 nan 0.000 0.410 345 P HA 0.160 nan 4.420 nan 0.000 0.229 345 P C 0.698 177.907 177.300 -0.153 0.000 1.160 345 P CA 1.628 64.657 63.100 -0.119 0.000 0.777 345 P CB 0.408 32.170 31.700 0.104 0.000 0.814 346 G N -1.465 107.159 108.800 -0.293 0.000 2.368 346 G HA2 0.464 4.423 3.960 -0.000 0.000 0.293 346 G HA3 0.464 4.423 3.960 -0.000 0.000 0.293 346 G C -2.350 172.271 174.900 -0.465 0.000 1.467 346 G CA -0.646 44.325 45.100 -0.215 0.000 0.804 346 G HN -0.117 nan 8.290 nan 0.000 0.535 347 Y N 0.259 120.552 120.300 -0.012 0.000 2.442 347 Y HA 0.466 5.016 4.550 -0.000 0.000 0.344 347 Y C 0.412 176.309 175.900 -0.006 0.000 0.976 347 Y CA -0.999 57.096 58.100 -0.008 0.000 1.040 347 Y CB 1.946 40.397 38.460 -0.015 0.000 1.228 347 Y HN 0.504 nan 8.280 nan 0.000 0.451 348 E N 2.353 122.630 120.200 0.129 0.000 2.392 348 E HA 0.017 4.367 4.350 -0.000 0.000 0.264 348 E C 0.235 176.885 176.600 0.083 0.000 1.024 348 E CA -0.107 56.339 56.400 0.078 0.000 0.903 348 E CB 0.897 30.627 29.700 0.051 0.000 0.963 348 E HN 0.788 nan 8.360 nan 0.000 0.432 349 E N 1.726 121.958 120.200 0.053 0.000 2.233 349 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 349 E C 1.644 178.259 176.600 0.026 0.000 1.004 349 E CA 1.410 57.831 56.400 0.036 0.000 0.819 349 E CB 0.113 29.825 29.700 0.021 0.000 0.738 349 E HN 0.437 nan 8.360 nan 0.000 0.478 350 E N 0.501 120.718 120.200 0.029 0.000 2.122 350 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 350 E C 1.819 178.434 176.600 0.025 0.000 0.977 350 E CA 1.055 57.467 56.400 0.020 0.000 0.820 350 E CB -0.095 29.615 29.700 0.017 0.000 0.770 350 E HN 0.194 nan 8.360 nan 0.000 0.462 351 A N 0.633 123.482 122.820 0.049 0.000 1.930 351 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 351 A C 2.112 179.730 177.584 0.058 0.000 1.175 351 A CA 1.336 53.412 52.037 0.066 0.000 0.627 351 A CB -0.683 18.384 19.000 0.111 0.000 0.815 351 A HN 0.386 nan 8.150 nan 0.000 0.443 352 L N -0.073 121.180 121.223 0.051 0.000 2.027 352 L HA -0.103 4.236 4.340 -0.000 0.000 0.206 352 L C 2.172 179.013 176.870 -0.048 0.000 1.074 352 L CA 2.164 56.981 54.840 -0.038 0.000 0.745 352 L CB -0.693 41.341 42.059 -0.042 0.000 0.898 352 L HN 0.344 nan 8.230 nan 0.000 0.433 353 K N -0.458 119.928 120.400 -0.023 0.000 2.044 353 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 353 K C 2.059 178.641 176.600 -0.030 0.000 1.049 353 K CA 2.134 58.405 56.287 -0.026 0.000 0.927 353 K CB -0.365 32.126 32.500 -0.015 0.000 0.713 353 K HN 0.362 nan 8.250 nan 0.000 0.443 354 I N 1.042 121.598 120.570 -0.024 0.000 2.127 354 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 354 I C 2.224 178.308 176.117 -0.055 0.000 1.075 354 I CA 1.375 62.654 61.300 -0.035 0.000 1.334 354 I CB -0.364 37.621 38.000 -0.026 0.000 1.040 354 I HN 0.145 nan 8.210 nan 0.000 0.405 355 L N -0.144 121.053 121.223 -0.044 0.000 2.141 355 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 355 L C 2.577 179.453 176.870 0.011 0.000 1.094 355 L CA 1.007 55.828 54.840 -0.032 0.000 0.763 355 L CB -0.508 41.563 42.059 0.019 0.000 0.908 355 L HN 0.173 nan 8.230 nan 0.000 0.437 356 S N 0.096 115.779 115.700 -0.027 0.000 2.453 356 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 356 S C 1.781 176.373 174.600 -0.013 0.000 1.005 356 S CA 1.182 59.369 58.200 -0.022 0.000 0.949 356 S CB -0.077 63.090 63.200 -0.054 0.000 0.774 356 S HN 0.522 nan 8.310 nan 0.000 0.510 357 K N 1.650 122.031 120.400 -0.031 0.000 2.361 357 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 357 K C 0.781 177.352 176.600 -0.047 0.000 1.039 357 K CA 0.168 56.435 56.287 -0.034 0.000 1.001 357 K CB 0.079 32.556 32.500 -0.038 0.000 0.795 357 K HN 0.065 nan 8.250 nan 0.000 0.495 358 K N 2.537 122.888 120.400 -0.081 0.000 2.336 358 K HA -0.096 4.224 4.320 -0.000 0.000 0.262 358 K C -0.214 176.342 176.600 -0.073 0.000 0.992 358 K CA 0.212 56.404 56.287 -0.159 0.000 0.927 358 K CB 0.377 32.625 32.500 -0.420 0.000 0.956 358 K HN 0.169 nan 8.250 nan 0.000 0.495 359 K N 2.445 122.789 120.400 -0.094 0.000 3.071 359 K HA -0.394 3.925 4.320 -0.000 0.000 0.262 359 K C -0.564 176.042 176.600 0.010 0.000 0.977 359 K CA 1.133 57.410 56.287 -0.017 0.000 0.721 359 K CB -1.558 30.985 32.500 0.073 0.000 1.293 359 K HN 0.997 nan 8.250 nan 0.000 0.475 360 N N -1.718 116.976 118.700 -0.010 0.000 2.782 360 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 360 N C 0.520 176.031 175.510 0.003 0.000 1.101 360 N CA 2.306 55.355 53.050 -0.002 0.000 0.764 360 N CB -1.231 37.260 38.487 0.006 0.000 1.122 360 N HN 1.101 nan 8.380 nan 0.000 0.561 361 G N -2.586 106.217 108.800 0.005 0.000 2.176 361 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.253 361 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.253 361 G C 0.700 175.612 174.900 0.019 0.000 0.979 361 G CA 0.438 45.542 45.100 0.007 0.000 0.641 361 G HN 1.205 nan 8.290 nan 0.000 0.530 362 G N -0.667 108.155 108.800 0.037 0.000 3.575 362 G HA2 0.420 4.380 3.960 -0.000 0.000 0.273 362 G HA3 0.420 4.380 3.960 -0.000 0.000 0.273 362 G C 0.252 175.186 174.900 0.055 0.000 1.053 362 G CA -0.006 45.113 45.100 0.031 0.000 0.803 362 G HN 0.609 nan 8.290 nan 0.000 0.528 363 Y N 1.034 121.294 120.300 -0.067 0.000 2.569 363 Y HA 0.273 4.822 4.550 -0.000 0.000 0.332 363 Y C 0.792 176.635 175.900 -0.095 0.000 1.120 363 Y CA -1.510 56.538 58.100 -0.086 0.000 1.416 363 Y CB 0.253 38.649 38.460 -0.107 0.000 1.210 363 Y HN 0.052 nan 8.280 nan 0.000 0.528 364 C N 7.712 126.676 119.300 -0.559 0.000 2.638 364 C HA 0.443 4.902 4.460 -0.000 0.000 0.410 364 C C -0.402 174.204 174.990 -0.640 0.000 1.404 364 C CA -0.428 58.318 59.018 -0.454 0.000 1.651 364 C CB -2.123 25.480 27.740 -0.230 0.000 2.495 364 C HN 0.618 nan 8.230 nan 0.000 0.606 365 V N 8.655 128.353 119.914 -0.360 0.000 2.482 365 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 365 V C -0.206 175.782 176.094 -0.176 0.000 1.026 365 V CA -0.292 61.812 62.300 -0.327 0.000 0.856 365 V CB 1.344 32.916 31.823 -0.419 0.000 1.001 365 V HN 0.735 nan 8.190 nan 0.000 0.424 366 L N 4.052 125.266 121.223 -0.015 0.000 2.346 366 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 366 L C -0.367 176.571 176.870 0.114 0.000 1.007 366 L CA -0.564 54.286 54.840 0.017 0.000 0.818 366 L CB 2.094 44.165 42.059 0.019 0.000 1.284 366 L HN 0.595 nan 8.230 nan 0.000 0.424 367 Q N 2.572 122.394 119.800 0.037 0.000 2.316 367 Q HA 0.586 4.926 4.340 -0.000 0.000 0.264 367 Q C -1.197 174.680 176.000 -0.206 0.000 0.987 367 Q CA -0.801 55.015 55.803 0.021 0.000 0.852 367 Q CB 2.144 30.937 28.738 0.092 0.000 1.287 367 Q HN 0.574 nan 8.270 nan 0.000 0.448 368 M N 3.430 122.790 119.600 -0.400 0.000 2.364 368 M HA 0.291 4.771 4.480 -0.000 0.000 0.334 368 M C -1.336 174.682 176.300 -0.471 0.000 1.107 368 M CA -0.560 54.359 55.300 -0.634 0.000 0.988 368 M CB 1.590 33.382 32.600 -1.346 0.000 1.673 368 M HN 0.520 nan 8.290 nan 0.000 0.441 369 D N 6.422 126.640 120.400 -0.304 0.000 2.346 369 D HA 0.189 4.829 4.640 -0.000 0.000 0.260 369 D C -1.737 174.579 176.300 0.027 0.000 1.252 369 D CA -1.735 52.205 54.000 -0.099 0.000 0.895 369 D CB 1.088 41.866 40.800 -0.036 0.000 1.097 369 D HN 0.429 nan 8.370 nan 0.000 0.489 370 P HA -0.094 nan 4.420 nan 0.000 0.226 370 P C -0.106 177.352 177.300 0.264 0.000 1.153 370 P CA 0.774 64.088 63.100 0.357 0.000 0.777 370 P CB 0.210 32.090 31.700 0.301 0.000 0.794 371 N N -1.658 117.146 118.700 0.174 0.000 2.235 371 N HA 0.034 4.774 4.740 -0.000 0.000 0.209 371 N C 0.022 175.608 175.510 0.126 0.000 1.122 371 N CA -0.472 52.651 53.050 0.121 0.000 0.845 371 N CB -0.326 38.206 38.487 0.074 0.000 1.004 371 N HN 0.196 nan 8.380 nan 0.000 0.499 372 Y N 1.829 122.168 120.300 0.066 0.000 2.319 372 Y HA 0.246 4.796 4.550 -0.000 0.000 0.328 372 Y C -0.455 175.484 175.900 0.066 0.000 1.133 372 Y CA -0.256 57.870 58.100 0.044 0.000 1.265 372 Y CB 0.646 39.115 38.460 0.015 0.000 1.218 372 Y HN -0.049 nan 8.280 nan 0.000 0.508 373 E N 7.714 127.425 120.200 -0.815 0.000 2.272 373 E HA 0.321 4.671 4.350 -0.000 0.000 0.269 373 E C -2.756 173.304 176.600 -0.900 0.000 0.877 373 E CA -2.163 53.868 56.400 -0.616 0.000 0.755 373 E CB 1.824 31.364 29.700 -0.267 0.000 1.192 373 E HN 0.530 nan 8.360 nan 0.000 0.422 374 P HA 0.218 nan 4.420 nan 0.000 0.277 374 P C -0.477 176.749 177.300 -0.123 0.000 1.240 374 P CA -0.491 62.465 63.100 -0.240 0.000 0.798 374 P CB 0.936 32.641 31.700 0.009 0.000 0.979 375 D N 0.986 121.355 120.400 -0.052 0.000 2.390 375 D HA -0.027 4.613 4.640 -0.000 0.000 0.236 375 D C 1.193 177.484 176.300 -0.016 0.000 1.189 375 D CA 0.277 54.260 54.000 -0.028 0.000 0.887 375 D CB 0.197 40.997 40.800 0.001 0.000 1.198 375 D HN 0.304 nan 8.370 nan 0.000 0.444 376 D N -0.073 120.319 120.400 -0.014 0.000 2.144 376 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 376 D C 0.114 176.419 176.300 0.007 0.000 0.978 376 D CA 0.918 54.915 54.000 -0.006 0.000 0.833 376 D CB 0.055 40.849 40.800 -0.010 0.000 0.961 376 D HN 0.302 nan 8.370 nan 0.000 0.470 377 N N 1.391 120.096 118.700 0.010 0.000 2.498 377 N HA 0.200 4.940 4.740 -0.000 0.000 0.287 377 N C -0.250 175.275 175.510 0.025 0.000 1.097 377 N CA 0.030 53.091 53.050 0.018 0.000 0.973 377 N CB 1.631 40.127 38.487 0.015 0.000 1.153 377 N HN 0.068 nan 8.380 nan 0.000 0.472 378 E N 1.117 121.336 120.200 0.032 0.000 2.199 378 E HA 0.548 4.898 4.350 -0.000 0.000 0.269 378 E C -0.544 176.078 176.600 0.038 0.000 0.899 378 E CA -0.538 55.885 56.400 0.038 0.000 0.772 378 E CB 1.964 31.697 29.700 0.054 0.000 1.155 378 E HN 0.406 nan 8.360 nan 0.000 0.408 379 I N 2.920 123.510 120.570 0.034 0.000 2.545 379 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 379 I C -0.585 175.557 176.117 0.041 0.000 1.040 379 I CA -0.850 60.472 61.300 0.037 0.000 1.068 379 I CB 1.868 39.889 38.000 0.035 0.000 1.251 379 I HN 0.429 nan 8.210 nan 0.000 0.424 380 R N 2.631 123.160 120.500 0.049 0.000 2.604 380 R HA 0.651 4.990 4.340 -0.000 0.000 0.281 380 R C -1.574 174.761 176.300 0.058 0.000 1.020 380 R CA -0.640 55.493 56.100 0.056 0.000 0.899 380 R CB 1.761 32.098 30.300 0.062 0.000 1.205 380 R HN 0.395 nan 8.270 nan 0.000 0.450 381 T N 3.686 118.278 114.554 0.064 0.000 2.771 381 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 381 T C -0.938 173.806 174.700 0.073 0.000 0.954 381 T CA -0.431 61.707 62.100 0.063 0.000 1.045 381 T CB 0.836 69.740 68.868 0.061 0.000 0.917 381 T HN 0.430 nan 8.240 nan 0.000 0.484 382 L N 5.287 126.559 121.223 0.082 0.000 2.457 382 L HA 0.410 4.750 4.340 -0.000 0.000 0.266 382 L C -0.571 176.410 176.870 0.185 0.000 0.979 382 L CA -0.578 54.327 54.840 0.108 0.000 0.857 382 L CB 0.484 42.593 42.059 0.083 0.000 1.213 382 L HN 0.728 nan 8.230 nan 0.000 0.418 383 Y N 5.119 125.426 120.300 0.012 0.000 3.589 383 Y HA -0.164 4.386 4.550 -0.000 0.000 0.218 383 Y C 1.238 177.146 175.900 0.013 0.000 1.234 383 Y CA 1.402 59.507 58.100 0.010 0.000 1.576 383 Y CB -1.100 37.363 38.460 0.006 0.000 1.487 383 Y HN 1.143 nan 8.280 nan 0.000 0.616 384 G N -0.722 108.062 108.800 -0.026 0.000 2.179 384 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 384 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 384 G C 0.188 175.068 174.900 -0.033 0.000 0.977 384 G CA 0.220 45.273 45.100 -0.077 0.000 0.641 384 G HN 0.680 nan 8.290 nan 0.000 0.533 385 L N -0.473 120.757 121.223 0.011 0.000 2.352 385 L HA 0.760 5.100 4.340 -0.000 0.000 0.269 385 L C 0.214 177.107 176.870 0.039 0.000 1.034 385 L CA -1.189 53.667 54.840 0.026 0.000 0.806 385 L CB 1.409 43.497 42.059 0.047 0.000 1.244 385 L HN -0.036 nan 8.230 nan 0.000 0.447 386 Q N 1.775 121.597 119.800 0.036 0.000 2.290 386 Q HA 0.554 4.894 4.340 -0.000 0.000 0.259 386 Q C -1.091 174.933 176.000 0.040 0.000 0.941 386 Q CA 0.058 55.884 55.803 0.039 0.000 0.912 386 Q CB 1.913 30.673 28.738 0.036 0.000 1.244 386 Q HN 0.404 nan 8.270 nan 0.000 0.441 387 L N 3.185 124.435 121.223 0.044 0.000 2.294 387 L HA 0.530 4.870 4.340 -0.000 0.000 0.283 387 L C -0.718 176.177 176.870 0.042 0.000 1.015 387 L CA -0.318 54.548 54.840 0.043 0.000 0.831 387 L CB 0.961 43.048 42.059 0.046 0.000 1.217 387 L HN 0.503 nan 8.230 nan 0.000 0.420 388 M N 4.733 124.355 119.600 0.037 0.000 2.472 388 M HA 0.466 4.946 4.480 -0.000 0.000 0.331 388 M C -0.925 175.396 176.300 0.035 0.000 1.170 388 M CA -0.286 55.035 55.300 0.035 0.000 1.009 388 M CB 2.029 34.646 32.600 0.029 0.000 1.672 388 M HN 0.695 nan 8.290 nan 0.000 0.453 389 Q N 2.171 121.992 119.800 0.036 0.000 2.630 389 Q HA 0.452 4.792 4.340 -0.000 0.000 0.295 389 Q C -1.791 174.228 176.000 0.031 0.000 0.944 389 Q CA -1.228 54.596 55.803 0.035 0.000 0.766 389 Q CB 1.474 30.239 28.738 0.046 0.000 1.471 389 Q HN 0.428 nan 8.270 nan 0.000 0.416 390 K N 1.791 122.206 120.400 0.025 0.000 2.205 390 K HA 0.261 4.581 4.320 -0.000 0.000 0.279 390 K C -0.266 176.350 176.600 0.027 0.000 1.027 390 K CA -0.247 56.051 56.287 0.019 0.000 0.932 390 K CB 0.872 33.378 32.500 0.009 0.000 1.032 390 K HN 0.786 nan 8.250 nan 0.000 0.466 391 R N 2.228 122.746 120.500 0.029 0.000 2.801 391 R HA 0.084 4.424 4.340 -0.000 0.000 0.273 391 R C 0.190 176.505 176.300 0.024 0.000 1.080 391 R CA -0.402 55.722 56.100 0.041 0.000 1.197 391 R CB 0.133 30.462 30.300 0.049 0.000 1.109 391 R HN 0.348 nan 8.270 nan 0.000 0.535 392 N N 1.125 119.838 118.700 0.023 0.000 2.508 392 N HA 0.013 4.753 4.740 -0.000 0.000 0.253 392 N C -0.874 174.621 175.510 -0.025 0.000 1.145 392 N CA -0.107 52.932 53.050 -0.019 0.000 0.973 392 N CB 0.057 38.507 38.487 -0.061 0.000 1.305 392 N HN 0.507 nan 8.380 nan 0.000 0.506 393 N N 1.118 119.805 118.700 -0.021 0.000 2.268 393 N HA 0.059 4.799 4.740 -0.000 0.000 0.204 393 N C -0.208 175.279 175.510 -0.038 0.000 1.124 393 N CA -0.115 52.923 53.050 -0.019 0.000 0.838 393 N CB 0.372 38.849 38.487 -0.016 0.000 0.994 393 N HN 0.479 nan 8.380 nan 0.000 0.489 394 A N 0.982 123.767 122.820 -0.059 0.000 2.553 394 A HA 0.141 4.461 4.320 -0.000 0.000 0.258 394 A C 0.577 178.117 177.584 -0.073 0.000 1.069 394 A CA 0.043 52.036 52.037 -0.073 0.000 0.767 394 A CB -0.014 18.931 19.000 -0.092 0.000 0.997 394 A HN 0.013 nan 8.150 nan 0.000 0.512 395 V N 4.842 124.713 119.914 -0.071 0.000 2.583 395 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 395 V C 0.440 176.475 176.094 -0.098 0.000 1.051 395 V CA 0.086 62.344 62.300 -0.070 0.000 1.010 395 V CB 0.892 32.676 31.823 -0.066 0.000 0.988 395 V HN 0.668 nan 8.190 nan 0.000 0.478 396 I N 5.223 125.738 120.570 -0.092 0.000 2.354 396 I HA 0.564 4.734 4.170 -0.000 0.000 0.292 396 I C -0.435 175.601 176.117 -0.135 0.000 0.989 396 I CA -0.177 61.047 61.300 -0.128 0.000 1.188 396 I CB 1.598 39.550 38.000 -0.079 0.000 1.342 396 I HN 0.921 nan 8.210 nan 0.000 0.457 397 D N 3.689 123.949 120.400 -0.233 0.000 2.838 397 D HA 0.202 4.842 4.640 -0.000 0.000 0.334 397 D C 0.488 176.561 176.300 -0.378 0.000 1.315 397 D CA -0.924 52.956 54.000 -0.200 0.000 0.917 397 D CB 0.550 41.272 40.800 -0.131 0.000 1.435 397 D HN 0.436 nan 8.370 nan 0.000 0.517 398 R N -0.308 120.082 120.500 -0.184 0.000 2.193 398 R HA -0.051 4.288 4.340 -0.000 0.000 0.229 398 R C 1.379 177.556 176.300 -0.206 0.000 1.110 398 R CA 1.706 57.741 56.100 -0.109 0.000 0.988 398 R CB -0.636 29.700 30.300 0.059 0.000 0.871 398 R HN 0.375 nan 8.270 nan 0.000 0.458 399 S N 0.814 116.387 115.700 -0.211 0.000 2.555 399 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 399 S C 1.719 176.177 174.600 -0.237 0.000 0.978 399 S CA 0.493 58.596 58.200 -0.162 0.000 0.934 399 S CB -0.050 63.078 63.200 -0.120 0.000 0.766 399 S HN 0.418 nan 8.310 nan 0.000 0.533 400 L N -0.062 120.876 121.223 -0.474 0.000 2.554 400 L HA 0.444 4.784 4.340 -0.000 0.000 0.226 400 L C 0.396 177.004 176.870 -0.438 0.000 1.137 400 L CA 1.060 55.592 54.840 -0.513 0.000 0.863 400 L CB -0.580 41.062 42.059 -0.696 0.000 0.985 400 L HN 0.288 nan 8.230 nan 0.000 0.451 401 F N -0.742 119.192 119.950 -0.027 0.000 2.647 401 F HA 0.248 4.775 4.527 -0.000 0.000 0.300 401 F C 1.845 177.633 175.800 -0.021 0.000 1.106 401 F CA -0.373 57.612 58.000 -0.024 0.000 1.313 401 F CB -0.718 38.260 39.000 -0.036 0.000 1.007 401 F HN 0.120 nan 8.300 nan 0.000 0.536 402 K N 0.140 120.589 120.400 0.082 0.000 2.097 402 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 402 K C 0.643 177.273 176.600 0.050 0.000 1.050 402 K CA 1.410 57.727 56.287 0.050 0.000 0.938 402 K CB -0.388 32.117 32.500 0.008 0.000 0.718 402 K HN 0.110 nan 8.250 nan 0.000 0.442 403 N N 1.648 120.380 118.700 0.054 0.000 2.739 403 N HA 0.127 4.867 4.740 -0.000 0.000 0.266 403 N C -1.202 174.339 175.510 0.051 0.000 1.168 403 N CA -0.248 52.831 53.050 0.049 0.000 1.055 403 N CB -0.086 38.432 38.487 0.053 0.000 1.393 403 N HN 0.200 nan 8.380 nan 0.000 0.514 404 I N 3.100 123.691 120.570 0.034 0.000 2.308 404 I HA 0.022 4.192 4.170 -0.000 0.000 0.293 404 I C 1.368 177.475 176.117 -0.016 0.000 1.078 404 I CA -0.575 60.733 61.300 0.013 0.000 1.292 404 I CB 1.007 39.018 38.000 0.018 0.000 1.423 404 I HN 0.310 nan 8.210 nan 0.000 0.493 405 V N 2.014 121.890 119.914 -0.062 0.000 3.573 405 V HA 0.045 4.165 4.120 -0.000 0.000 0.270 405 V C 0.927 176.978 176.094 -0.072 0.000 1.221 405 V CA 0.260 62.511 62.300 -0.081 0.000 1.163 405 V CB -1.303 30.421 31.823 -0.167 0.000 0.847 405 V HN 0.779 nan 8.190 nan 0.000 0.468 406 T N -3.109 111.412 114.554 -0.055 0.000 2.948 406 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 406 T C 0.686 175.374 174.700 -0.019 0.000 1.019 406 T CA -0.568 61.509 62.100 -0.039 0.000 1.013 406 T CB 2.013 70.859 68.868 -0.036 0.000 1.117 406 T HN 0.187 nan 8.240 nan 0.000 0.533 407 K N 0.421 120.811 120.400 -0.015 0.000 2.097 407 K HA 0.001 4.320 4.320 -0.000 0.000 0.205 407 K C 0.586 177.184 176.600 -0.004 0.000 1.050 407 K CA 0.732 57.014 56.287 -0.009 0.000 0.938 407 K CB -0.179 32.315 32.500 -0.009 0.000 0.718 407 K HN 0.525 nan 8.250 nan 0.000 0.442 408 N N 2.231 120.928 118.700 -0.005 0.000 2.447 408 N HA -0.032 4.708 4.740 -0.000 0.000 0.263 408 N C 0.241 175.762 175.510 0.018 0.000 1.226 408 N CA 0.515 53.568 53.050 0.005 0.000 0.906 408 N CB 0.808 39.295 38.487 -0.001 0.000 1.060 408 N HN 0.069 nan 8.380 nan 0.000 0.468 409 K N 0.686 121.101 120.400 0.025 0.000 2.469 409 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 409 K C -0.128 176.494 176.600 0.037 0.000 1.047 409 K CA -0.055 56.248 56.287 0.026 0.000 1.072 409 K CB 0.388 32.896 32.500 0.013 0.000 0.863 409 K HN 0.429 nan 8.250 nan 0.000 0.530 410 T N 1.884 116.482 114.554 0.073 0.000 2.888 410 T HA 0.247 4.597 4.350 -0.000 0.000 0.301 410 T C -0.021 174.735 174.700 0.094 0.000 1.001 410 T CA 0.009 62.170 62.100 0.101 0.000 1.147 410 T CB 0.683 69.652 68.868 0.168 0.000 0.931 410 T HN -0.006 nan 8.240 nan 0.000 0.541 411 L N 5.296 126.467 121.223 -0.086 0.000 2.491 411 L HA 0.348 4.688 4.340 -0.000 0.000 0.260 411 L C -2.581 174.092 176.870 -0.328 0.000 1.200 411 L CA -1.298 53.336 54.840 -0.344 0.000 0.882 411 L CB 0.694 42.622 42.059 -0.218 0.000 1.058 411 L HN 0.423 nan 8.230 nan 0.000 0.487 412 P HA 0.148 nan 4.420 nan 0.000 0.271 412 P C 0.552 177.715 177.300 -0.228 0.000 1.238 412 P CA -0.128 62.832 63.100 -0.234 0.000 0.794 412 P CB 0.785 32.363 31.700 -0.203 0.000 0.959 413 E N 0.085 120.205 120.200 -0.133 0.000 2.150 413 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 413 E C 1.856 178.386 176.600 -0.117 0.000 0.985 413 E CA 1.590 57.929 56.400 -0.102 0.000 0.814 413 E CB -0.590 29.078 29.700 -0.055 0.000 0.752 413 E HN 0.552 nan 8.360 nan 0.000 0.466 414 S N 0.865 116.492 115.700 -0.121 0.000 2.383 414 S HA -0.047 4.423 4.470 -0.000 0.000 0.227 414 S C 2.236 176.734 174.600 -0.171 0.000 1.026 414 S CA 1.046 59.184 58.200 -0.103 0.000 0.981 414 S CB -0.165 62.999 63.200 -0.061 0.000 0.818 414 S HN 0.236 nan 8.310 nan 0.000 0.472 415 A N 1.428 124.048 122.820 -0.334 0.000 1.930 415 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 415 A C 2.392 179.719 177.584 -0.428 0.000 1.175 415 A CA 1.364 53.083 52.037 -0.531 0.000 0.627 415 A CB -1.035 17.149 19.000 -1.359 0.000 0.815 415 A HN 0.424 nan 8.150 nan 0.000 0.443 416 V N 0.294 119.998 119.914 -0.350 0.000 2.295 416 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 416 V C 2.663 178.696 176.094 -0.101 0.000 1.049 416 V CA 2.334 64.486 62.300 -0.246 0.000 1.024 416 V CB -0.793 30.988 31.823 -0.070 0.000 0.648 416 V HN 0.703 nan 8.190 nan 0.000 0.447 417 R N 0.202 120.657 120.500 -0.076 0.000 2.080 417 R HA -0.219 4.121 4.340 -0.000 0.000 0.236 417 R C 2.052 178.337 176.300 -0.024 0.000 1.137 417 R CA 2.415 58.501 56.100 -0.023 0.000 0.943 417 R CB -0.505 29.778 30.300 -0.028 0.000 0.846 417 R HN 0.525 nan 8.270 nan 0.000 0.431 418 D N 0.713 121.073 120.400 -0.066 0.000 2.117 418 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 418 D C 2.074 178.343 176.300 -0.052 0.000 0.987 418 D CA 1.136 55.105 54.000 -0.051 0.000 0.829 418 D CB -0.273 40.497 40.800 -0.050 0.000 0.961 418 D HN 0.310 nan 8.370 nan 0.000 0.460 419 L N 0.455 121.595 121.223 -0.137 0.000 2.191 419 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 419 L C 2.444 179.375 176.870 0.101 0.000 1.103 419 L CA 0.519 55.268 54.840 -0.151 0.000 0.769 419 L CB -0.166 41.505 42.059 -0.647 0.000 0.908 419 L HN 0.026 nan 8.230 nan 0.000 0.438 420 I N -1.378 119.288 120.570 0.161 0.000 2.333 420 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 420 I C 2.383 178.565 176.117 0.108 0.000 1.106 420 I CA 0.649 62.080 61.300 0.218 0.000 1.411 420 I CB -0.049 38.060 38.000 0.181 0.000 1.082 420 I HN -0.010 nan 8.210 nan 0.000 0.420 421 V N 1.219 121.172 119.914 0.065 0.000 2.261 421 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 421 V C 2.727 178.853 176.094 0.054 0.000 1.047 421 V CA 2.142 64.472 62.300 0.049 0.000 1.015 421 V CB -0.969 30.869 31.823 0.024 0.000 0.642 421 V HN 0.486 nan 8.190 nan 0.000 0.446 422 A N -0.610 122.234 122.820 0.041 0.000 1.933 422 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 422 A C 2.457 180.071 177.584 0.049 0.000 1.175 422 A CA 2.212 54.272 52.037 0.037 0.000 0.628 422 A CB -0.567 18.441 19.000 0.013 0.000 0.814 422 A HN 0.523 nan 8.150 nan 0.000 0.444 423 S N -0.292 115.451 115.700 0.071 0.000 2.371 423 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 423 S C 1.780 176.398 174.600 0.031 0.000 1.029 423 S CA 1.197 59.433 58.200 0.060 0.000 0.978 423 S CB -0.385 62.883 63.200 0.113 0.000 0.833 423 S HN 0.546 nan 8.310 nan 0.000 0.466 424 I N 1.712 122.316 120.570 0.058 0.000 2.315 424 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 424 I C 2.676 178.875 176.117 0.137 0.000 1.117 424 I CA 0.892 62.240 61.300 0.080 0.000 1.404 424 I CB -0.498 37.565 38.000 0.105 0.000 1.071 424 I HN 0.254 nan 8.210 nan 0.000 0.419 425 A N 0.713 123.606 122.820 0.122 0.000 1.845 425 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 425 A C 2.441 180.088 177.584 0.106 0.000 1.195 425 A CA 1.827 53.949 52.037 0.141 0.000 0.616 425 A CB -1.078 17.978 19.000 0.092 0.000 0.832 425 A HN 0.201 nan 8.150 nan 0.000 0.443 426 V N 0.540 120.484 119.914 0.051 0.000 2.324 426 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 426 V C 2.577 178.648 176.094 -0.039 0.000 1.060 426 V CA 2.520 64.833 62.300 0.021 0.000 1.042 426 V CB -0.708 31.120 31.823 0.008 0.000 0.650 426 V HN 0.726 nan 8.190 nan 0.000 0.450 427 K N -0.916 119.409 120.400 -0.125 0.000 2.160 427 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 427 K C 1.293 177.494 176.600 -0.665 0.000 1.047 427 K CA 1.894 57.956 56.287 -0.375 0.000 0.930 427 K CB -0.124 32.086 32.500 -0.484 0.000 0.720 427 K HN 0.580 nan 8.250 nan 0.000 0.450 428 Y N 0.125 120.383 120.300 -0.071 0.000 2.681 428 Y HA 0.225 4.775 4.550 -0.000 0.000 0.267 428 Y C -0.023 176.009 175.900 0.220 0.000 1.166 428 Y CA -0.304 57.759 58.100 -0.062 0.000 1.209 428 Y CB 0.846 39.373 38.460 0.111 0.000 1.161 428 Y HN -0.149 nan 8.280 nan 0.000 0.534 429 T N 0.599 115.303 114.554 0.250 0.000 2.952 429 T HA 0.297 4.647 4.350 -0.000 0.000 0.286 429 T C -0.144 174.695 174.700 0.232 0.000 1.024 429 T CA -0.840 61.382 62.100 0.204 0.000 1.029 429 T CB 1.243 70.164 68.868 0.088 0.000 1.094 429 T HN -0.119 nan 8.240 nan 0.000 0.515 430 Q N 1.413 121.278 119.800 0.109 0.000 2.288 430 Q HA 0.366 4.706 4.340 -0.000 0.000 0.254 430 Q C -0.052 175.896 176.000 -0.086 0.000 0.932 430 Q CA -0.107 55.682 55.803 -0.023 0.000 0.902 430 Q CB 1.129 29.874 28.738 0.011 0.000 1.203 430 Q HN 0.587 nan 8.270 nan 0.000 0.415 431 S N 2.421 117.940 115.700 -0.302 0.000 2.593 431 S HA 0.141 4.611 4.470 -0.000 0.000 0.269 431 S C 0.461 174.984 174.600 -0.129 0.000 1.334 431 S CA -0.709 57.324 58.200 -0.278 0.000 1.015 431 S CB 0.345 63.174 63.200 -0.619 0.000 0.912 431 S HN 0.656 nan 8.310 nan 0.000 0.541 432 N N 0.215 118.853 118.700 -0.103 0.000 2.445 432 N HA 0.474 5.213 4.740 -0.000 0.000 0.264 432 N C -0.839 174.672 175.510 0.002 0.000 1.227 432 N CA -0.640 52.357 53.050 -0.090 0.000 0.963 432 N CB 0.483 38.939 38.487 -0.051 0.000 1.188 432 N HN 0.573 nan 8.380 nan 0.000 0.491 433 S N -1.631 114.095 115.700 0.045 0.000 2.537 433 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 433 S C -1.309 173.338 174.600 0.079 0.000 1.142 433 S CA -0.896 57.343 58.200 0.064 0.000 0.870 433 S CB 0.953 64.184 63.200 0.052 0.000 1.112 433 S HN 0.453 nan 8.310 nan 0.000 0.466 434 V N 0.932 120.910 119.914 0.106 0.000 2.709 434 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 434 V C -0.731 175.442 176.094 0.132 0.000 1.062 434 V CA -0.657 61.711 62.300 0.114 0.000 0.901 434 V CB 1.628 33.559 31.823 0.180 0.000 1.003 434 V HN 1.241 nan 8.190 nan 0.000 0.425 435 C N 5.440 124.784 119.300 0.073 0.000 2.431 435 C HA 0.742 5.202 4.460 -0.000 0.000 0.321 435 C C -1.168 173.861 174.990 0.066 0.000 1.202 435 C CA -0.614 58.473 59.018 0.114 0.000 1.398 435 C CB 0.395 28.176 27.740 0.068 0.000 2.047 435 C HN 0.775 nan 8.230 nan 0.000 0.465 436 Y N 3.805 124.103 120.300 -0.003 0.000 2.320 436 Y HA 0.654 5.204 4.550 -0.000 0.000 0.334 436 Y C 0.636 176.480 175.900 -0.092 0.000 1.055 436 Y CA -0.060 58.020 58.100 -0.033 0.000 1.143 436 Y CB 1.425 39.864 38.460 -0.036 0.000 1.193 436 Y HN 0.941 nan 8.280 nan 0.000 0.477 437 A N 3.750 126.588 122.820 0.029 0.000 2.498 437 A HA 0.897 5.217 4.320 -0.000 0.000 0.298 437 A C -1.141 176.390 177.584 -0.089 0.000 1.075 437 A CA -0.854 51.145 52.037 -0.064 0.000 0.714 437 A CB 2.187 21.164 19.000 -0.038 0.000 1.299 437 A HN 0.681 nan 8.150 nan 0.000 0.407 438 K N 0.467 120.776 120.400 -0.152 0.000 2.587 438 K HA 0.379 4.699 4.320 -0.000 0.000 0.276 438 K C -1.411 175.146 176.600 -0.073 0.000 0.956 438 K CA -0.461 55.762 56.287 -0.107 0.000 0.857 438 K CB 1.325 33.738 32.500 -0.145 0.000 1.431 438 K HN 0.679 nan 8.250 nan 0.000 0.420 439 D N 1.418 121.821 120.400 0.005 0.000 2.751 439 D HA -0.176 4.463 4.640 -0.000 0.000 0.233 439 D C 0.484 176.806 176.300 0.037 0.000 1.149 439 D CA 2.009 56.040 54.000 0.052 0.000 0.682 439 D CB -1.299 39.584 40.800 0.138 0.000 1.068 439 D HN 1.037 nan 8.370 nan 0.000 0.429 440 G N 0.098 108.903 108.800 0.008 0.000 2.179 440 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.257 440 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.257 440 G C 0.111 175.015 174.900 0.007 0.000 1.010 440 G CA 1.218 46.325 45.100 0.011 0.000 0.736 440 G HN 0.860 nan 8.290 nan 0.000 0.513 441 Q N -1.660 118.124 119.800 -0.027 0.000 2.435 441 Q HA 0.691 5.031 4.340 -0.000 0.000 0.282 441 Q C -0.635 175.293 176.000 -0.119 0.000 1.020 441 Q CA -1.165 54.610 55.803 -0.047 0.000 0.820 441 Q CB 1.851 30.571 28.738 -0.029 0.000 1.436 441 Q HN 0.366 nan 8.270 nan 0.000 0.395 442 V N 3.499 123.359 119.914 -0.090 0.000 2.715 442 V HA 0.124 4.244 4.120 -0.000 0.000 0.299 442 V C 0.896 176.841 176.094 -0.248 0.000 1.054 442 V CA 0.488 62.725 62.300 -0.106 0.000 1.077 442 V CB 0.675 32.480 31.823 -0.029 0.000 0.972 442 V HN 0.851 nan 8.190 nan 0.000 0.484 443 I N 0.902 121.291 120.570 -0.303 0.000 4.557 443 I HA 0.660 4.830 4.170 -0.000 0.000 0.333 443 I C 0.645 176.656 176.117 -0.177 0.000 1.332 443 I CA 0.059 61.035 61.300 -0.540 0.000 1.240 443 I CB 0.985 38.316 38.000 -1.115 0.000 1.312 443 I HN 0.622 nan 8.210 nan 0.000 0.457 444 G N 2.291 111.061 108.800 -0.049 0.000 2.552 444 G HA2 0.615 4.575 3.960 -0.000 0.000 0.288 444 G HA3 0.615 4.575 3.960 -0.000 0.000 0.288 444 G C -1.905 173.065 174.900 0.118 0.000 1.358 444 G CA -0.299 44.803 45.100 0.003 0.000 1.305 444 G HN 0.151 nan 8.290 nan 0.000 0.602 445 I N 1.799 122.423 120.570 0.090 0.000 2.582 445 I HA 0.809 4.979 4.170 -0.000 0.000 0.292 445 I C 0.074 176.249 176.117 0.097 0.000 1.066 445 I CA -0.750 60.614 61.300 0.107 0.000 1.053 445 I CB 2.271 40.306 38.000 0.060 0.000 1.241 445 I HN 0.615 nan 8.210 nan 0.000 0.421 446 G N 5.765 114.634 108.800 0.114 0.000 2.557 446 G HA2 0.791 4.750 3.960 -0.000 0.000 0.310 446 G HA3 0.791 4.750 3.960 -0.000 0.000 0.310 446 G C -1.441 173.504 174.900 0.076 0.000 1.328 446 G CA -0.375 44.784 45.100 0.098 0.000 0.945 446 G HN 0.823 nan 8.290 nan 0.000 0.494 447 A N 1.094 123.948 122.820 0.057 0.000 2.423 447 A HA 0.878 5.198 4.320 -0.000 0.000 0.304 447 A C 1.062 178.668 177.584 0.037 0.000 1.104 447 A CA 0.126 52.188 52.037 0.043 0.000 0.757 447 A CB 1.282 20.303 19.000 0.036 0.000 1.313 447 A HN 2.451 nan 8.150 nan 0.000 0.423 448 G N 0.000 108.816 108.800 0.025 0.000 2.180 448 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.263 448 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.263 448 G C 0.263 175.181 174.900 0.029 0.000 0.989 448 G CA 0.784 45.901 45.100 0.029 0.000 0.692 448 G HN 0.781 nan 8.290 nan 0.000 0.526 449 Q N -0.750 119.072 119.800 0.035 0.000 2.382 449 Q HA 0.427 4.767 4.340 -0.000 0.000 0.229 449 Q C 1.429 177.448 176.000 0.032 0.000 1.006 449 Q CA 0.100 55.935 55.803 0.053 0.000 0.916 449 Q CB 0.432 29.223 28.738 0.089 0.000 1.235 449 Q HN 0.662 nan 8.270 nan 0.000 0.512 450 Q N -0.584 119.250 119.800 0.056 0.000 2.217 450 Q HA 0.223 4.563 4.340 -0.000 0.000 0.217 450 Q C -0.122 175.878 176.000 0.000 0.000 0.844 450 Q CA -0.019 55.797 55.803 0.021 0.000 0.957 450 Q CB 1.185 29.942 28.738 0.032 0.000 1.127 450 Q HN 0.347 nan 8.270 nan 0.000 0.503 451 S N -0.290 115.413 115.700 0.006 0.000 2.538 451 S HA 0.380 4.850 4.470 -0.000 0.000 0.288 451 S C 0.123 174.707 174.600 -0.027 0.000 1.108 451 S CA -0.596 57.542 58.200 -0.103 0.000 0.971 451 S CB 1.605 64.535 63.200 -0.450 0.000 1.041 451 S HN 0.126 nan 8.310 nan 0.000 0.483 452 R N 3.090 123.579 120.500 -0.017 0.000 2.073 452 R HA 0.013 4.352 4.340 -0.000 0.000 0.234 452 R C 1.844 178.208 176.300 0.106 0.000 1.134 452 R CA 2.149 58.289 56.100 0.066 0.000 0.952 452 R CB -0.945 29.409 30.300 0.089 0.000 0.850 452 R HN 0.717 nan 8.270 nan 0.000 0.433 453 I N 0.274 120.875 120.570 0.053 0.000 2.315 453 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 453 I C 1.592 177.806 176.117 0.162 0.000 1.117 453 I CA 1.706 63.054 61.300 0.081 0.000 1.404 453 I CB -0.397 37.643 38.000 0.066 0.000 1.071 453 I HN 0.339 nan 8.210 nan 0.000 0.419 454 H N -1.863 117.252 119.070 0.074 0.000 2.456 454 H HA -0.184 4.372 4.556 -0.000 0.000 0.296 454 H C 2.315 177.686 175.328 0.072 0.000 1.079 454 H CA 1.105 57.190 56.048 0.063 0.000 1.322 454 H CB -0.010 29.782 29.762 0.050 0.000 1.388 454 H HN 0.456 nan 8.280 nan 0.000 0.538 455 C N 0.285 119.710 119.300 0.209 0.000 2.512 455 C HA -0.029 4.431 4.460 -0.000 0.000 0.276 455 C C 2.651 177.760 174.990 0.198 0.000 1.368 455 C CA 0.866 59.987 59.018 0.171 0.000 1.755 455 C CB -0.764 27.061 27.740 0.143 0.000 2.008 455 C HN 0.529 nan 8.230 nan 0.000 0.511 456 T N 0.500 115.176 114.554 0.203 0.000 2.770 456 T HA -0.093 4.257 4.350 -0.000 0.000 0.263 456 T C 1.962 176.809 174.700 0.244 0.000 1.039 456 T CA 1.154 63.402 62.100 0.247 0.000 1.142 456 T CB -0.212 68.734 68.868 0.131 0.000 0.868 456 T HN 0.566 nan 8.240 nan 0.000 0.435 457 R N 0.592 121.189 120.500 0.162 0.000 2.073 457 R HA 0.067 4.407 4.340 -0.000 0.000 0.234 457 R C 2.506 178.852 176.300 0.077 0.000 1.134 457 R CA 1.014 57.180 56.100 0.109 0.000 0.952 457 R CB -0.638 29.722 30.300 0.100 0.000 0.850 457 R HN 0.284 nan 8.270 nan 0.000 0.433 458 L N 0.368 121.648 121.223 0.094 0.000 2.012 458 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 458 L C 2.371 179.273 176.870 0.054 0.000 1.073 458 L CA 1.646 56.526 54.840 0.067 0.000 0.748 458 L CB -0.376 41.729 42.059 0.077 0.000 0.891 458 L HN 0.272 nan 8.230 nan 0.000 0.431 459 A N -0.475 122.408 122.820 0.104 0.000 1.930 459 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 459 A C 2.264 179.712 177.584 -0.225 0.000 1.175 459 A CA 1.359 53.446 52.037 0.083 0.000 0.627 459 A CB -1.188 18.013 19.000 0.336 0.000 0.815 459 A HN 0.536 nan 8.150 nan 0.000 0.443 460 G N 0.051 108.687 108.800 -0.272 0.000 2.418 460 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.217 460 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.217 460 G C 1.066 175.804 174.900 -0.270 0.000 1.158 460 G CA 1.202 45.961 45.100 -0.569 0.000 0.771 460 G HN 0.463 nan 8.290 nan 0.000 0.545 461 D N 0.585 120.926 120.400 -0.098 0.000 2.178 461 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 461 D C 2.405 178.707 176.300 0.005 0.000 0.974 461 D CA 0.736 54.722 54.000 -0.023 0.000 0.841 461 D CB -0.092 40.711 40.800 0.006 0.000 0.953 461 D HN 0.322 nan 8.370 nan 0.000 0.478 462 K N 0.586 120.979 120.400 -0.013 0.000 2.103 462 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 462 K C 2.123 178.779 176.600 0.094 0.000 1.052 462 K CA 0.888 57.205 56.287 0.049 0.000 0.945 462 K CB 0.010 32.537 32.500 0.044 0.000 0.722 462 K HN 0.011 nan 8.250 nan 0.000 0.443 463 A N 1.924 124.727 122.820 -0.028 0.000 1.933 463 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 463 A C 1.715 179.454 177.584 0.257 0.000 1.175 463 A CA 1.633 53.699 52.037 0.048 0.000 0.628 463 A CB -0.689 18.150 19.000 -0.268 0.000 0.814 463 A HN 0.365 nan 8.150 nan 0.000 0.444 464 N N -0.030 118.769 118.700 0.165 0.000 2.043 464 N HA -0.140 4.600 4.740 -0.000 0.000 0.193 464 N C 1.985 177.684 175.510 0.315 0.000 1.037 464 N CA 1.506 54.710 53.050 0.256 0.000 0.851 464 N CB -0.168 38.410 38.487 0.152 0.000 1.027 464 N HN 0.440 nan 8.380 nan 0.000 0.422 465 S N 0.455 116.297 115.700 0.237 0.000 2.353 465 S HA -0.202 4.268 4.470 -0.000 0.000 0.222 465 S C 1.459 176.241 174.600 0.302 0.000 1.035 465 S CA 1.148 59.479 58.200 0.219 0.000 1.025 465 S CB -0.582 62.723 63.200 0.175 0.000 0.902 465 S HN 0.513 nan 8.310 nan 0.000 0.440 466 W N 1.615 123.048 121.300 0.221 0.000 2.317 466 W HA -0.194 4.466 4.660 -0.000 0.000 0.318 466 W C 2.220 179.039 176.519 0.500 0.000 1.227 466 W CA 1.569 59.094 57.345 0.300 0.000 1.269 466 W CB -0.677 28.937 29.460 0.255 0.000 1.155 466 W HN 0.421 nan 8.180 nan 0.000 0.484 467 W N 0.498 121.968 121.300 0.284 0.000 2.354 467 W HA -0.257 4.402 4.660 -0.000 0.000 0.315 467 W C 2.053 178.770 176.519 0.330 0.000 1.206 467 W CA 1.487 58.911 57.345 0.132 0.000 1.290 467 W CB -0.768 28.851 29.460 0.265 0.000 1.152 467 W HN -0.167 nan 8.180 nan 0.000 0.489 468 L N 0.801 122.132 121.223 0.180 0.000 2.263 468 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 468 L C 2.394 179.152 176.870 -0.188 0.000 1.111 468 L CA 1.344 56.145 54.840 -0.066 0.000 0.773 468 L CB -0.596 41.487 42.059 0.041 0.000 0.906 468 L HN 0.008 nan 8.230 nan 0.000 0.439 469 R N -1.556 118.896 120.500 -0.081 0.000 2.323 469 R HA -0.069 4.270 4.340 -0.000 0.000 0.198 469 R C 1.442 177.553 176.300 -0.314 0.000 0.988 469 R CA 0.349 56.360 56.100 -0.149 0.000 1.041 469 R CB -0.086 30.138 30.300 -0.126 0.000 0.926 469 R HN 0.406 nan 8.270 nan 0.000 0.476 470 H N -1.686 117.117 119.070 -0.445 0.000 2.592 470 H HA 0.063 4.619 4.556 -0.000 0.000 0.265 470 H C 0.289 175.221 175.328 -0.660 0.000 0.955 470 H CA -0.030 55.759 56.048 -0.432 0.000 1.175 470 H CB 0.024 29.551 29.762 -0.391 0.000 1.433 470 H HN 0.073 nan 8.280 nan 0.000 0.537 471 H N 3.369 121.766 119.070 -1.120 0.000 3.115 471 H HA -0.058 4.497 4.556 -0.000 0.000 0.324 471 H C -1.375 173.478 175.328 -0.792 0.000 1.007 471 H CA -1.231 53.833 56.048 -1.640 0.000 1.385 471 H CB 1.105 30.088 29.762 -1.297 0.000 1.351 471 H HN 0.202 nan 8.280 nan 0.000 0.592 472 P HA -0.177 nan 4.420 nan 0.000 0.219 472 P C 1.543 178.846 177.300 0.004 0.000 1.146 472 P CA 1.297 64.329 63.100 -0.114 0.000 0.808 472 P CB 0.224 31.872 31.700 -0.087 0.000 0.779 473 R N 0.199 120.780 120.500 0.136 0.000 2.075 473 R HA -0.062 4.277 4.340 -0.000 0.000 0.232 473 R C 2.187 178.409 176.300 -0.129 0.000 1.126 473 R CA 1.236 57.281 56.100 -0.091 0.000 0.963 473 R CB -0.702 29.428 30.300 -0.284 0.000 0.858 473 R HN -0.027 nan 8.270 nan 0.000 0.435 474 V N 1.295 121.131 119.914 -0.131 0.000 2.295 474 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 474 V C 2.263 178.317 176.094 -0.066 0.000 1.049 474 V CA 1.704 63.944 62.300 -0.100 0.000 1.024 474 V CB -0.406 31.374 31.823 -0.073 0.000 0.648 474 V HN 0.334 nan 8.190 nan 0.000 0.447 475 L N -0.138 121.033 121.223 -0.086 0.000 2.201 475 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 475 L C 2.075 178.936 176.870 -0.014 0.000 1.105 475 L CA 1.177 55.985 54.840 -0.054 0.000 0.775 475 L CB -0.547 41.465 42.059 -0.078 0.000 0.913 475 L HN 0.225 nan 8.230 nan 0.000 0.440 476 S N -0.242 115.439 115.700 -0.032 0.000 2.754 476 S HA 0.215 4.685 4.470 -0.000 0.000 0.223 476 S C 0.721 175.300 174.600 -0.034 0.000 0.951 476 S CA 0.111 58.296 58.200 -0.026 0.000 0.954 476 S CB -0.289 62.888 63.200 -0.037 0.000 0.780 476 S HN 0.225 nan 8.310 nan 0.000 0.509 477 M N 2.227 121.821 119.600 -0.009 0.000 2.188 477 M HA 0.192 4.671 4.480 -0.000 0.000 0.354 477 M C -0.117 176.193 176.300 0.018 0.000 1.342 477 M CA 0.365 55.641 55.300 -0.040 0.000 1.117 477 M CB 0.522 33.123 32.600 0.002 0.000 1.670 477 M HN -0.114 nan 8.290 nan 0.000 0.466 478 K N 3.639 123.993 120.400 -0.077 0.000 2.281 478 K HA 0.465 4.785 4.320 -0.000 0.000 0.272 478 K C -1.213 175.293 176.600 -0.157 0.000 1.048 478 K CA -0.205 56.062 56.287 -0.033 0.000 0.898 478 K CB 0.911 33.388 32.500 -0.040 0.000 1.128 478 K HN 0.352 nan 8.250 nan 0.000 0.460 479 F N 1.698 121.564 119.950 -0.140 0.000 2.403 479 F HA 0.313 4.840 4.527 -0.000 0.000 0.326 479 F C 1.085 176.761 175.800 -0.207 0.000 1.081 479 F CA -0.699 57.127 58.000 -0.288 0.000 1.041 479 F CB 0.870 39.660 39.000 -0.350 0.000 1.234 479 F HN 0.124 nan 8.300 nan 0.000 0.503 480 K N 1.146 121.511 120.400 -0.057 0.000 2.202 480 K HA 0.513 4.833 4.320 -0.000 0.000 0.264 480 K C -0.162 176.418 176.600 -0.034 0.000 1.010 480 K CA -0.444 55.810 56.287 -0.056 0.000 0.940 480 K CB 0.954 33.403 32.500 -0.084 0.000 0.983 480 K HN 0.708 nan 8.250 nan 0.000 0.475 481 A N 0.253 123.052 122.820 -0.035 0.000 2.386 481 A HA 0.445 4.765 4.320 -0.000 0.000 0.248 481 A C 1.108 178.666 177.584 -0.044 0.000 1.082 481 A CA 0.661 52.676 52.037 -0.037 0.000 0.789 481 A CB -0.170 18.811 19.000 -0.032 0.000 1.025 481 A HN 0.885 nan 8.150 nan 0.000 0.490 482 G N -0.089 108.682 108.800 -0.048 0.000 2.179 482 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 482 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 482 G C 0.171 175.036 174.900 -0.057 0.000 0.977 482 G CA 0.159 45.231 45.100 -0.047 0.000 0.641 482 G HN 1.410 nan 8.290 nan 0.000 0.533 483 V N 1.649 121.517 119.914 -0.076 0.000 2.455 483 V HA 0.310 4.430 4.120 -0.000 0.000 0.273 483 V C 1.063 177.088 176.094 -0.115 0.000 1.045 483 V CA -0.363 61.879 62.300 -0.097 0.000 0.976 483 V CB 1.294 33.046 31.823 -0.118 0.000 0.993 483 V HN 0.348 nan 8.190 nan 0.000 0.475 484 K N 3.973 124.320 120.400 -0.088 0.000 2.436 484 K HA 0.123 4.443 4.320 -0.000 0.000 0.275 484 K C 1.183 177.718 176.600 -0.109 0.000 0.999 484 K CA -0.065 56.178 56.287 -0.074 0.000 0.980 484 K CB 0.646 33.127 32.500 -0.032 0.000 0.919 484 K HN 0.489 nan 8.250 nan 0.000 0.484 485 R N 1.529 121.973 120.500 -0.094 0.000 2.200 485 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 485 R C 1.795 178.053 176.300 -0.071 0.000 1.127 485 R CA 1.389 57.423 56.100 -0.110 0.000 0.989 485 R CB -0.189 30.070 30.300 -0.068 0.000 0.869 485 R HN 0.657 nan 8.270 nan 0.000 0.459 486 A N 0.942 123.751 122.820 -0.017 0.000 1.935 486 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 486 A C 1.766 179.348 177.584 -0.003 0.000 1.178 486 A CA 0.659 52.718 52.037 0.036 0.000 0.640 486 A CB -0.022 19.046 19.000 0.114 0.000 0.825 486 A HN 0.225 nan 8.150 nan 0.000 0.447 487 E N -0.478 119.701 120.200 -0.035 0.000 2.204 487 E HA -0.105 4.244 4.350 -0.000 0.000 0.194 487 E C 1.818 178.370 176.600 -0.080 0.000 0.989 487 E CA 1.054 57.429 56.400 -0.040 0.000 0.824 487 E CB -0.119 29.549 29.700 -0.052 0.000 0.756 487 E HN 0.393 nan 8.360 nan 0.000 0.477 488 V N 0.018 119.814 119.914 -0.198 0.000 2.591 488 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 488 V C 1.883 177.867 176.094 -0.184 0.000 1.053 488 V CA 1.703 63.765 62.300 -0.396 0.000 1.068 488 V CB 0.141 31.509 31.823 -0.757 0.000 0.689 488 V HN 0.128 nan 8.190 nan 0.000 0.462 489 S N 0.718 116.368 115.700 -0.082 0.000 2.414 489 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 489 S C 1.688 176.334 174.600 0.078 0.000 1.022 489 S CA 1.347 59.550 58.200 0.005 0.000 0.958 489 S CB -0.331 62.883 63.200 0.024 0.000 0.797 489 S HN 0.678 nan 8.310 nan 0.000 0.493 490 N N 1.991 120.739 118.700 0.079 0.000 2.270 490 N HA 0.133 4.873 4.740 -0.000 0.000 0.181 490 N C 1.698 177.342 175.510 0.223 0.000 1.016 490 N CA 1.037 54.158 53.050 0.118 0.000 0.870 490 N CB -0.434 38.102 38.487 0.081 0.000 0.979 490 N HN 0.367 nan 8.380 nan 0.000 0.431 491 A N 0.741 123.717 122.820 0.260 0.000 1.902 491 A HA -0.062 4.257 4.320 -0.000 0.000 0.217 491 A C 2.152 180.113 177.584 0.629 0.000 1.181 491 A CA 1.014 53.351 52.037 0.499 0.000 0.623 491 A CB -0.629 18.550 19.000 0.299 0.000 0.818 491 A HN 0.219 nan 8.150 nan 0.000 0.443 492 I N -0.679 120.132 120.570 0.402 0.000 2.286 492 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 492 I C 2.327 178.633 176.117 0.314 0.000 1.104 492 I CA 1.502 63.020 61.300 0.364 0.000 1.397 492 I CB -0.408 37.723 38.000 0.219 0.000 1.072 492 I HN 0.385 nan 8.210 nan 0.000 0.417 493 D N 0.813 121.348 120.400 0.225 0.000 2.123 493 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 493 D C 2.130 178.527 176.300 0.161 0.000 0.992 493 D CA 1.560 55.662 54.000 0.169 0.000 0.833 493 D CB 0.079 40.956 40.800 0.129 0.000 0.954 493 D HN 0.369 nan 8.370 nan 0.000 0.455 494 Q N -1.023 118.894 119.800 0.195 0.000 2.135 494 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 494 Q C 1.922 177.953 176.000 0.052 0.000 0.981 494 Q CA 1.344 57.213 55.803 0.109 0.000 0.856 494 Q CB -0.161 28.658 28.738 0.136 0.000 0.902 494 Q HN 0.407 nan 8.270 nan 0.000 0.425 495 Y N 0.313 120.627 120.300 0.022 0.000 2.084 495 Y HA -0.245 4.305 4.550 -0.000 0.000 0.279 495 Y C 2.152 178.009 175.900 -0.071 0.000 1.119 495 Y CA 1.660 59.721 58.100 -0.064 0.000 1.101 495 Y CB -0.722 37.830 38.460 0.152 0.000 0.989 495 Y HN 0.048 nan 8.280 nan 0.000 0.484 496 V N -1.121 118.832 119.914 0.065 0.000 2.660 496 V HA -0.233 3.887 4.120 -0.000 0.000 0.257 496 V C 1.724 177.770 176.094 -0.080 0.000 1.088 496 V CA 2.587 64.847 62.300 -0.066 0.000 1.106 496 V CB -1.874 29.981 31.823 0.053 0.000 0.686 496 V HN 0.690 nan 8.190 nan 0.000 0.481 497 T N -3.732 110.794 114.554 -0.046 0.000 3.069 497 T HA 0.452 4.801 4.350 -0.000 0.000 0.252 497 T C 1.656 176.303 174.700 -0.090 0.000 1.053 497 T CA 0.725 62.799 62.100 -0.043 0.000 0.964 497 T CB 0.163 69.031 68.868 -0.001 0.000 1.005 497 T HN 1.653 nan 8.240 nan 0.000 0.532 498 G N 2.047 110.754 108.800 -0.156 0.000 2.180 498 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 498 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 498 G C 0.865 175.671 174.900 -0.156 0.000 0.989 498 G CA 0.947 45.932 45.100 -0.192 0.000 0.692 498 G HN 1.093 nan 8.290 nan 0.000 0.526 499 T N -1.622 112.863 114.554 -0.116 0.000 3.252 499 T HA 0.445 4.795 4.350 -0.000 0.000 0.250 499 T C 2.203 176.837 174.700 -0.111 0.000 1.123 499 T CA 0.508 62.555 62.100 -0.087 0.000 1.006 499 T CB -0.091 68.754 68.868 -0.039 0.000 0.992 499 T HN 0.410 nan 8.240 nan 0.000 0.547 500 I N 1.691 122.133 120.570 -0.213 0.000 2.091 500 I HA 0.104 4.274 4.170 -0.000 0.000 0.239 500 I C 1.909 177.933 176.117 -0.155 0.000 1.061 500 I CA 1.702 62.824 61.300 -0.298 0.000 1.317 500 I CB -0.926 36.654 38.000 -0.700 0.000 1.031 500 I HN 0.713 nan 8.210 nan 0.000 0.401 501 G N -0.122 108.589 108.800 -0.148 0.000 2.362 501 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.517 501 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.517 501 G C -1.044 173.812 174.900 -0.073 0.000 1.256 501 G CA -0.717 44.336 45.100 -0.079 0.000 1.027 501 G HN 0.219 nan 8.290 nan 0.000 0.491 502 E N 0.257 120.436 120.200 -0.035 0.000 2.370 502 E HA 0.588 4.937 4.350 -0.000 0.000 0.259 502 E C 0.824 177.427 176.600 0.005 0.000 0.947 502 E CA 0.430 56.817 56.400 -0.023 0.000 0.809 502 E CB 1.066 30.752 29.700 -0.024 0.000 1.300 502 E HN 1.043 nan 8.360 nan 0.000 0.419 503 D N 0.142 120.547 120.400 0.010 0.000 3.987 503 D HA -0.416 4.224 4.640 -0.000 0.000 0.190 503 D C 1.005 177.329 176.300 0.039 0.000 0.743 503 D CA 1.969 55.982 54.000 0.022 0.000 0.901 503 D CB -0.685 40.124 40.800 0.014 0.000 0.412 503 D HN 0.557 nan 8.370 nan 0.000 0.349 504 E N 0.422 120.644 120.200 0.036 0.000 2.086 504 E HA -0.222 4.128 4.350 -0.000 0.000 0.205 504 E C 1.866 178.507 176.600 0.069 0.000 1.027 504 E CA 2.049 58.477 56.400 0.046 0.000 0.830 504 E CB -0.382 29.339 29.700 0.036 0.000 0.751 504 E HN 0.472 nan 8.360 nan 0.000 0.456 505 D N 0.226 120.663 120.400 0.061 0.000 2.133 505 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 505 D C 2.033 178.416 176.300 0.140 0.000 0.997 505 D CA 0.906 54.955 54.000 0.082 0.000 0.840 505 D CB -0.322 40.503 40.800 0.042 0.000 0.947 505 D HN 0.096 nan 8.370 nan 0.000 0.452 506 L N 0.579 121.868 121.223 0.111 0.000 2.056 506 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 506 L C 2.271 179.291 176.870 0.251 0.000 1.078 506 L CA 1.050 55.991 54.840 0.167 0.000 0.749 506 L CB -0.160 41.946 42.059 0.077 0.000 0.901 506 L HN -0.150 nan 8.230 nan 0.000 0.433 507 V N -0.057 119.951 119.914 0.157 0.000 2.295 507 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 507 V C 2.663 178.842 176.094 0.143 0.000 1.049 507 V CA 1.795 64.172 62.300 0.130 0.000 1.024 507 V CB -0.851 31.019 31.823 0.079 0.000 0.648 507 V HN 0.405 nan 8.190 nan 0.000 0.447 508 K N -0.918 119.568 120.400 0.144 0.000 2.020 508 K HA -0.279 4.041 4.320 -0.000 0.000 0.212 508 K C 1.886 178.591 176.600 0.174 0.000 1.050 508 K CA 2.139 58.503 56.287 0.128 0.000 0.929 508 K CB -0.721 31.853 32.500 0.123 0.000 0.714 508 K HN 0.629 nan 8.250 nan 0.000 0.443 509 W N 2.685 124.037 121.300 0.087 0.000 2.317 509 W HA -0.242 4.418 4.660 -0.000 0.000 0.318 509 W C 2.121 178.788 176.519 0.247 0.000 1.227 509 W CA 1.964 59.400 57.345 0.151 0.000 1.269 509 W CB -0.268 29.270 29.460 0.129 0.000 1.155 509 W HN 0.208 nan 8.180 nan 0.000 0.484 510 Q N -0.495 119.456 119.800 0.252 0.000 2.291 510 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 510 Q C 2.168 178.213 176.000 0.074 0.000 0.970 510 Q CA 1.130 56.990 55.803 0.094 0.000 0.876 510 Q CB -0.600 28.215 28.738 0.129 0.000 0.935 510 Q HN 0.351 nan 8.270 nan 0.000 0.455 511 A N 0.576 123.419 122.820 0.039 0.000 2.259 511 A HA -0.083 4.237 4.320 -0.000 0.000 0.212 511 A C 1.601 179.137 177.584 -0.080 0.000 1.178 511 A CA 0.854 52.888 52.037 -0.006 0.000 0.734 511 A CB -0.342 18.662 19.000 0.007 0.000 0.774 511 A HN 0.309 nan 8.150 nan 0.000 0.481 512 M N -1.580 117.909 119.600 -0.186 0.000 2.356 512 M HA 0.321 4.801 4.480 -0.000 0.000 0.262 512 M C -1.012 174.862 176.300 -0.709 0.000 1.097 512 M CA 0.128 55.183 55.300 -0.409 0.000 0.991 512 M CB 0.370 32.652 32.600 -0.530 0.000 1.450 512 M HN 0.276 nan 8.290 nan 0.000 0.495 513 F N -0.043 119.694 119.950 -0.355 0.000 2.495 513 F HA 0.320 4.847 4.527 -0.000 0.000 0.327 513 F C 1.226 176.874 175.800 -0.254 0.000 1.103 513 F CA -0.907 56.842 58.000 -0.418 0.000 0.949 513 F CB 1.098 39.759 39.000 -0.565 0.000 1.142 513 F HN -0.045 nan 8.300 nan 0.000 0.457 514 E N 0.495 120.662 120.200 -0.056 0.000 2.072 514 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 514 E C 0.079 176.658 176.600 -0.036 0.000 0.985 514 E CA 0.990 57.363 56.400 -0.044 0.000 0.801 514 E CB 0.252 29.925 29.700 -0.045 0.000 0.750 514 E HN 0.459 nan 8.360 nan 0.000 0.452 515 E N 1.010 121.184 120.200 -0.043 0.000 2.218 515 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 515 E C -1.288 175.216 176.600 -0.161 0.000 0.879 515 E CA -0.393 55.959 56.400 -0.081 0.000 0.762 515 E CB 2.382 32.031 29.700 -0.084 0.000 1.166 515 E HN -0.129 nan 8.360 nan 0.000 0.415 516 V N 6.571 126.370 119.914 -0.191 0.000 2.446 516 V HA 0.105 4.225 4.120 -0.000 0.000 0.276 516 V C -1.536 174.355 176.094 -0.338 0.000 1.030 516 V CA -0.909 61.182 62.300 -0.349 0.000 1.033 516 V CB 0.222 31.929 31.823 -0.193 0.000 0.993 516 V HN 0.524 nan 8.190 nan 0.000 0.477 517 P HA 0.394 nan 4.420 nan 0.000 0.277 517 P C -0.527 176.691 177.300 -0.136 0.000 1.240 517 P CA -0.350 62.553 63.100 -0.329 0.000 0.798 517 P CB 1.289 32.690 31.700 -0.500 0.000 0.979 518 A N 2.782 125.563 122.820 -0.065 0.000 2.340 518 A HA 0.230 4.549 4.320 -0.000 0.000 0.268 518 A C 0.755 178.382 177.584 0.073 0.000 1.100 518 A CA -0.456 51.576 52.037 -0.009 0.000 0.803 518 A CB 0.025 19.009 19.000 -0.027 0.000 1.043 518 A HN 0.542 nan 8.150 nan 0.000 0.488 519 Q N -0.210 119.616 119.800 0.044 0.000 2.841 519 Q HA 0.289 4.629 4.340 -0.000 0.000 0.198 519 Q C -0.661 175.266 176.000 -0.122 0.000 1.135 519 Q CA 0.272 56.066 55.803 -0.014 0.000 1.167 519 Q CB 0.312 28.977 28.738 -0.122 0.000 1.288 519 Q HN 0.649 nan 8.270 nan 0.000 0.670 520 L N 0.779 121.824 121.223 -0.296 0.000 2.322 520 L HA 0.276 4.616 4.340 -0.000 0.000 0.281 520 L C 0.293 177.056 176.870 -0.178 0.000 1.014 520 L CA -0.701 53.985 54.840 -0.257 0.000 0.815 520 L CB 1.838 43.661 42.059 -0.394 0.000 1.247 520 L HN 0.679 nan 8.230 nan 0.000 0.421 521 T N -1.829 112.665 114.554 -0.100 0.000 2.918 521 T HA 0.032 4.382 4.350 -0.000 0.000 0.302 521 T C 0.886 175.552 174.700 -0.057 0.000 1.045 521 T CA -0.465 61.594 62.100 -0.068 0.000 1.114 521 T CB 1.188 70.037 68.868 -0.033 0.000 0.965 521 T HN 0.755 nan 8.240 nan 0.000 0.540 522 E N 1.419 121.588 120.200 -0.052 0.000 2.333 522 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 522 E C 2.068 178.669 176.600 0.003 0.000 1.007 522 E CA 0.828 57.209 56.400 -0.033 0.000 0.845 522 E CB -0.446 29.235 29.700 -0.032 0.000 0.766 522 E HN 0.867 nan 8.360 nan 0.000 0.507 523 A N 0.564 123.388 122.820 0.007 0.000 2.016 523 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 523 A C 1.788 179.406 177.584 0.056 0.000 1.162 523 A CA 0.957 53.010 52.037 0.027 0.000 0.662 523 A CB -0.126 18.886 19.000 0.019 0.000 0.812 523 A HN 0.239 nan 8.150 nan 0.000 0.450 524 E N -0.134 120.101 120.200 0.058 0.000 2.158 524 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 524 E C 1.873 178.580 176.600 0.177 0.000 0.982 524 E CA 0.804 57.273 56.400 0.116 0.000 0.823 524 E CB -0.005 29.750 29.700 0.092 0.000 0.766 524 E HN 0.558 nan 8.360 nan 0.000 0.468 525 K N 0.968 121.435 120.400 0.112 0.000 2.001 525 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 525 K C 2.065 178.780 176.600 0.192 0.000 1.048 525 K CA 0.971 57.346 56.287 0.147 0.000 0.932 525 K CB -0.038 32.491 32.500 0.049 0.000 0.715 525 K HN -0.062 nan 8.250 nan 0.000 0.437 526 K N 1.104 121.579 120.400 0.124 0.000 2.103 526 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 526 K C 2.347 179.020 176.600 0.122 0.000 1.048 526 K CA 1.410 57.763 56.287 0.109 0.000 0.930 526 K CB -0.034 32.506 32.500 0.066 0.000 0.716 526 K HN 0.229 nan 8.250 nan 0.000 0.444 527 Q N 0.126 120.007 119.800 0.135 0.000 2.079 527 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 527 Q C 1.910 178.010 176.000 0.166 0.000 0.974 527 Q CA 1.219 57.098 55.803 0.127 0.000 0.840 527 Q CB -0.093 28.722 28.738 0.128 0.000 0.898 527 Q HN 0.531 nan 8.270 nan 0.000 0.430 528 W N 0.858 122.205 121.300 0.078 0.000 2.381 528 W HA -0.174 4.486 4.660 -0.000 0.000 0.301 528 W C 1.483 178.186 176.519 0.308 0.000 1.205 528 W CA 0.606 57.990 57.345 0.066 0.000 1.285 528 W CB 0.033 29.459 29.460 -0.056 0.000 1.133 528 W HN 0.193 nan 8.180 nan 0.000 0.521 529 I N 1.957 122.717 120.570 0.317 0.000 2.179 529 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 529 I C 2.754 178.950 176.117 0.131 0.000 1.088 529 I CA 1.735 63.268 61.300 0.388 0.000 1.357 529 I CB -2.029 36.148 38.000 0.295 0.000 1.051 529 I HN -0.035 nan 8.210 nan 0.000 0.409 530 A N 0.490 123.347 122.820 0.061 0.000 2.186 530 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 530 A C 2.197 179.731 177.584 -0.084 0.000 1.159 530 A CA 1.304 53.331 52.037 -0.016 0.000 0.680 530 A CB -0.596 18.404 19.000 -0.000 0.000 0.787 530 A HN 0.447 nan 8.150 nan 0.000 0.467 531 K N -1.274 119.059 120.400 -0.111 0.000 2.365 531 K HA 0.124 4.444 4.320 -0.000 0.000 0.197 531 K C 0.162 176.568 176.600 -0.324 0.000 1.042 531 K CA -0.193 55.977 56.287 -0.195 0.000 0.987 531 K CB -0.140 32.184 32.500 -0.293 0.000 0.779 531 K HN 0.414 nan 8.250 nan 0.000 0.484 532 L N 1.887 122.799 121.223 -0.518 0.000 2.416 532 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 532 L C 0.009 176.602 176.870 -0.462 0.000 1.161 532 L CA 0.840 55.151 54.840 -0.882 0.000 0.845 532 L CB 0.753 42.008 42.059 -1.340 0.000 1.119 532 L HN 0.165 nan 8.230 nan 0.000 0.464 533 T N 1.464 115.780 114.554 -0.397 0.000 2.792 533 T HA 0.684 5.034 4.350 -0.000 0.000 0.303 533 T C -0.025 174.558 174.700 -0.195 0.000 1.310 533 T CA -0.495 61.453 62.100 -0.253 0.000 1.007 533 T CB 1.161 69.912 68.868 -0.194 0.000 1.335 533 T HN 1.757 nan 8.240 nan 0.000 0.504 534 A N -0.023 122.685 122.820 -0.186 0.000 2.667 534 A HA 0.087 4.407 4.320 -0.000 0.000 0.298 534 A C 0.158 177.738 177.584 -0.007 0.000 1.483 534 A CA 0.432 52.413 52.037 -0.093 0.000 0.738 534 A CB -2.529 16.510 19.000 0.065 0.000 1.067 534 A HN 1.441 nan 8.150 nan 0.000 0.451 535 V N 0.756 120.610 119.914 -0.101 0.000 2.532 535 V HA 0.646 4.766 4.120 -0.000 0.000 0.295 535 V C 0.854 176.970 176.094 0.037 0.000 1.041 535 V CA -0.074 62.214 62.300 -0.020 0.000 0.926 535 V CB 1.966 33.774 31.823 -0.026 0.000 0.992 535 V HN 0.681 nan 8.190 nan 0.000 0.457 536 S N 3.978 119.727 115.700 0.082 0.000 2.617 536 S HA 0.793 5.263 4.470 -0.000 0.000 0.283 536 S C -0.611 173.970 174.600 -0.032 0.000 1.189 536 S CA -0.500 57.746 58.200 0.077 0.000 1.036 536 S CB 1.392 64.614 63.200 0.037 0.000 1.014 536 S HN 0.634 nan 8.310 nan 0.000 0.522 537 L N 1.507 122.688 121.223 -0.070 0.000 2.455 537 L HA 0.697 5.036 4.340 -0.000 0.000 0.264 537 L C -0.954 175.872 176.870 -0.073 0.000 0.968 537 L CA -0.153 54.588 54.840 -0.164 0.000 0.827 537 L CB 2.106 43.977 42.059 -0.313 0.000 1.317 537 L HN 0.695 nan 8.230 nan 0.000 0.407 538 S N 2.094 117.756 115.700 -0.064 0.000 2.548 538 S HA 0.735 5.205 4.470 -0.000 0.000 0.286 538 S C -1.310 173.267 174.600 -0.038 0.000 1.098 538 S CA -0.353 57.832 58.200 -0.025 0.000 0.930 538 S CB 1.986 65.190 63.200 0.007 0.000 1.070 538 S HN 0.660 nan 8.310 nan 0.000 0.480 539 S N 1.375 117.018 115.700 -0.095 0.000 2.521 539 S HA 0.364 4.834 4.470 -0.000 0.000 0.295 539 S C 0.207 174.722 174.600 -0.143 0.000 1.098 539 S CA -0.649 57.465 58.200 -0.144 0.000 0.999 539 S CB 1.197 64.135 63.200 -0.436 0.000 1.034 539 S HN 0.857 nan 8.310 nan 0.000 0.483 540 D N 2.768 123.126 120.400 -0.070 0.000 2.363 540 D HA 0.248 4.888 4.640 -0.000 0.000 0.220 540 D C 0.442 176.625 176.300 -0.194 0.000 0.994 540 D CA 0.366 54.331 54.000 -0.058 0.000 0.890 540 D CB 0.035 40.896 40.800 0.101 0.000 0.906 540 D HN 0.540 nan 8.370 nan 0.000 0.530 541 A N -0.416 122.257 122.820 -0.245 0.000 2.602 541 A HA 0.538 4.858 4.320 -0.000 0.000 0.290 541 A C -0.659 176.641 177.584 -0.473 0.000 1.114 541 A CA -1.108 50.674 52.037 -0.426 0.000 0.683 541 A CB 0.391 19.125 19.000 -0.444 0.000 1.281 541 A HN 0.116 nan 8.150 nan 0.000 0.416 542 F N -0.717 119.056 119.950 -0.295 0.000 2.535 542 F HA 0.650 5.176 4.527 -0.000 0.000 0.332 542 F C -0.663 174.979 175.800 -0.263 0.000 1.208 542 F CA -0.866 56.934 58.000 -0.334 0.000 1.330 542 F CB -0.196 38.653 39.000 -0.252 0.000 1.167 542 F HN 0.239 nan 8.300 nan 0.000 0.597 543 F N 2.370 122.490 119.950 0.285 0.000 2.411 543 F HA 0.384 4.911 4.527 -0.000 0.000 0.355 543 F C -1.554 174.353 175.800 0.179 0.000 1.117 543 F CA -2.545 55.552 58.000 0.162 0.000 1.139 543 F CB 0.774 39.844 39.000 0.116 0.000 1.120 543 F HN 0.278 nan 8.300 nan 0.000 0.493 544 P HA -0.117 nan 4.420 nan 0.000 0.214 544 P C -0.329 176.691 177.300 -0.466 0.000 1.163 544 P CA 1.723 64.670 63.100 -0.256 0.000 0.883 544 P CB 0.252 31.607 31.700 -0.575 0.000 0.788 545 F N -2.882 117.168 119.950 0.167 0.000 2.764 545 F HA 0.398 4.925 4.527 -0.000 0.000 0.347 545 F C 1.800 177.631 175.800 0.052 0.000 1.151 545 F CA -1.115 56.939 58.000 0.091 0.000 1.021 545 F CB 0.059 39.090 39.000 0.052 0.000 1.438 545 F HN -0.362 nan 8.300 nan 0.000 0.516 546 R N 0.119 120.770 120.500 0.252 0.000 2.276 546 R HA -0.025 4.315 4.340 -0.000 0.000 0.203 546 R C 0.753 177.063 176.300 0.018 0.000 1.017 546 R CA 1.389 57.544 56.100 0.091 0.000 1.010 546 R CB -0.696 29.644 30.300 0.066 0.000 0.900 546 R HN 0.633 nan 8.270 nan 0.000 0.469 547 D N 1.341 121.779 120.400 0.063 0.000 2.149 547 D HA -0.242 4.397 4.640 -0.000 0.000 0.198 547 D C 1.024 177.286 176.300 -0.064 0.000 0.990 547 D CA 1.106 55.118 54.000 0.020 0.000 0.839 547 D CB -0.661 40.183 40.800 0.074 0.000 0.948 547 D HN 0.280 nan 8.370 nan 0.000 0.460 548 N N 0.469 119.070 118.700 -0.165 0.000 2.149 548 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 548 N C 2.079 177.312 175.510 -0.461 0.000 1.019 548 N CA 1.417 54.212 53.050 -0.426 0.000 0.857 548 N CB 0.003 37.890 38.487 -0.999 0.000 0.997 548 N HN 0.231 nan 8.380 nan 0.000 0.426 549 V N 1.431 121.123 119.914 -0.369 0.000 2.488 549 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 549 V C 1.771 177.795 176.094 -0.117 0.000 1.046 549 V CA 1.326 63.487 62.300 -0.231 0.000 1.053 549 V CB -0.369 31.375 31.823 -0.132 0.000 0.679 549 V HN 0.145 nan 8.190 nan 0.000 0.458 550 D N 0.388 120.740 120.400 -0.081 0.000 2.117 550 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 550 D C 2.297 178.582 176.300 -0.025 0.000 0.982 550 D CA 1.354 55.329 54.000 -0.042 0.000 0.828 550 D CB -0.058 40.727 40.800 -0.024 0.000 0.967 550 D HN 0.251 nan 8.370 nan 0.000 0.464 551 R N 1.611 122.098 120.500 -0.020 0.000 2.082 551 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 551 R C 2.157 178.494 176.300 0.061 0.000 1.136 551 R CA 2.051 58.166 56.100 0.024 0.000 0.935 551 R CB -1.034 29.292 30.300 0.043 0.000 0.842 551 R HN 0.053 nan 8.270 nan 0.000 0.430 552 A N 0.775 123.627 122.820 0.053 0.000 1.915 552 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 552 A C 2.131 179.755 177.584 0.067 0.000 1.198 552 A CA 2.416 54.521 52.037 0.113 0.000 0.647 552 A CB -0.766 18.194 19.000 -0.066 0.000 0.825 552 A HN 0.393 nan 8.150 nan 0.000 0.456 553 K N -0.006 120.388 120.400 -0.009 0.000 2.032 553 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 553 K C 2.025 178.613 176.600 -0.021 0.000 1.048 553 K CA 1.782 58.047 56.287 -0.036 0.000 0.927 553 K CB -0.388 32.084 32.500 -0.048 0.000 0.712 553 K HN 0.489 nan 8.250 nan 0.000 0.441 554 R N -0.503 119.998 120.500 0.001 0.000 2.261 554 R HA -0.119 4.220 4.340 -0.000 0.000 0.236 554 R C 0.960 177.264 176.300 0.007 0.000 1.141 554 R CA 1.136 57.239 56.100 0.005 0.000 1.001 554 R CB -0.273 30.037 30.300 0.018 0.000 0.866 554 R HN 0.227 nan 8.270 nan 0.000 0.468 555 I N -0.659 119.920 120.570 0.015 0.000 3.707 555 I HA 0.247 4.417 4.170 -0.000 0.000 0.330 555 I C 0.463 176.546 176.117 -0.057 0.000 1.572 555 I CA 0.121 61.417 61.300 -0.006 0.000 1.104 555 I CB 0.632 38.630 38.000 -0.004 0.000 1.240 555 I HN 0.237 nan 8.210 nan 0.000 0.475 556 G N 0.807 109.557 108.800 -0.084 0.000 2.143 556 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 556 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 556 G C 0.269 175.085 174.900 -0.139 0.000 0.991 556 G CA 0.234 45.247 45.100 -0.145 0.000 0.689 556 G HN 0.310 nan 8.290 nan 0.000 0.522 557 V N 0.379 120.245 119.914 -0.080 0.000 2.637 557 V HA 0.368 4.488 4.120 -0.000 0.000 0.296 557 V C 1.252 177.195 176.094 -0.252 0.000 1.046 557 V CA 1.374 63.603 62.300 -0.118 0.000 1.066 557 V CB 1.695 33.478 31.823 -0.067 0.000 0.968 557 V HN 0.525 nan 8.190 nan 0.000 0.483 558 Q N 2.747 122.272 119.800 -0.458 0.000 2.143 558 Q HA 0.292 4.631 4.340 -0.000 0.000 0.242 558 Q C -0.970 174.462 176.000 -0.947 0.000 0.790 558 Q CA 0.104 55.453 55.803 -0.757 0.000 0.954 558 Q CB 0.830 28.933 28.738 -1.057 0.000 1.155 558 Q HN 0.675 nan 8.270 nan 0.000 0.474 559 F N 0.639 120.536 119.950 -0.089 0.000 2.547 559 F HA 0.584 5.111 4.527 -0.000 0.000 0.316 559 F C -0.422 175.313 175.800 -0.107 0.000 1.121 559 F CA -0.853 57.081 58.000 -0.111 0.000 0.911 559 F CB 1.496 40.405 39.000 -0.151 0.000 1.179 559 F HN -0.169 nan 8.300 nan 0.000 0.443 560 I N 2.896 123.509 120.570 0.072 0.000 2.722 560 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 560 I C -1.491 174.654 176.117 0.047 0.000 1.161 560 I CA -1.153 60.176 61.300 0.049 0.000 1.032 560 I CB 2.585 40.642 38.000 0.096 0.000 1.244 560 I HN 0.399 nan 8.210 nan 0.000 0.421 561 V N 5.059 124.999 119.914 0.044 0.000 2.709 561 V HA 0.982 5.102 4.120 -0.000 0.000 0.308 561 V C -1.006 175.105 176.094 0.027 0.000 1.062 561 V CA -0.003 62.346 62.300 0.081 0.000 0.901 561 V CB 1.672 33.591 31.823 0.160 0.000 1.003 561 V HN 0.978 nan 8.190 nan 0.000 0.425 562 A N 6.558 129.394 122.820 0.027 0.000 2.583 562 A HA 0.861 5.181 4.320 -0.000 0.000 0.292 562 A C -3.355 174.192 177.584 -0.061 0.000 1.045 562 A CA -1.106 50.858 52.037 -0.122 0.000 0.672 562 A CB 1.828 20.584 19.000 -0.406 0.000 1.283 562 A HN 0.616 nan 8.150 nan 0.000 0.419 563 P HA 0.328 nan 4.420 nan 0.000 0.272 563 P C 0.194 177.338 177.300 -0.260 0.000 1.230 563 P CA 0.058 63.074 63.100 -0.140 0.000 0.788 563 P CB 0.862 32.479 31.700 -0.138 0.000 0.949 564 S N -0.046 115.417 115.700 -0.395 0.000 2.713 564 S HA 0.688 5.158 4.470 -0.000 0.000 0.277 564 S C 0.941 175.335 174.600 -0.344 0.000 1.168 564 S CA 0.124 57.904 58.200 -0.701 0.000 0.994 564 S CB 0.695 63.528 63.200 -0.612 0.000 1.054 564 S HN 0.815 nan 8.310 nan 0.000 0.555 565 G N -0.571 107.951 108.800 -0.463 0.000 2.318 565 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.172 565 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.172 565 G C 0.062 174.267 174.900 -1.158 0.000 1.002 565 G CA 0.043 44.787 45.100 -0.593 0.000 0.697 565 G HN 1.187 nan 8.290 nan 0.000 0.483 566 S N 0.591 115.592 115.700 -1.165 0.000 2.545 566 S HA 0.648 5.118 4.470 -0.000 0.000 0.275 566 S C 1.791 176.141 174.600 -0.416 0.000 1.299 566 S CA 0.813 58.426 58.200 -0.978 0.000 1.048 566 S CB 1.293 64.231 63.200 -0.437 0.000 0.938 566 S HN 1.554 nan 8.310 nan 0.000 0.496 567 A N 4.038 126.688 122.820 -0.284 0.000 2.131 567 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 567 A C 1.666 179.231 177.584 -0.032 0.000 1.158 567 A CA 1.554 53.520 52.037 -0.117 0.000 0.665 567 A CB -0.700 18.272 19.000 -0.047 0.000 0.795 567 A HN 1.264 nan 8.150 nan 0.000 0.460 568 A N -0.786 122.032 122.820 -0.004 0.000 2.708 568 A HA 0.345 4.665 4.320 -0.000 0.000 0.293 568 A C 0.827 178.459 177.584 0.080 0.000 1.303 568 A CA 0.186 52.277 52.037 0.090 0.000 0.949 568 A CB -0.193 18.952 19.000 0.241 0.000 1.121 568 A HN 0.277 nan 8.150 nan 0.000 0.542 569 D N 0.637 121.055 120.400 0.029 0.000 2.123 569 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 569 D C 1.483 177.859 176.300 0.127 0.000 0.992 569 D CA 1.173 55.235 54.000 0.103 0.000 0.833 569 D CB 0.170 41.012 40.800 0.070 0.000 0.954 569 D HN 0.406 nan 8.370 nan 0.000 0.455 570 E N 0.325 120.571 120.200 0.077 0.000 2.204 570 E HA -0.099 4.250 4.350 -0.000 0.000 0.194 570 E C 2.362 178.996 176.600 0.058 0.000 0.989 570 E CA 0.398 56.833 56.400 0.059 0.000 0.824 570 E CB -0.157 29.565 29.700 0.038 0.000 0.756 570 E HN 0.381 nan 8.360 nan 0.000 0.477 571 V N -2.021 117.937 119.914 0.073 0.000 2.649 571 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 571 V C 2.219 178.360 176.094 0.079 0.000 1.054 571 V CA 0.714 63.056 62.300 0.069 0.000 1.073 571 V CB -0.452 31.419 31.823 0.080 0.000 0.699 571 V HN -0.016 nan 8.190 nan 0.000 0.463 572 V N 0.672 120.655 119.914 0.115 0.000 2.379 572 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 572 V C 2.565 178.709 176.094 0.083 0.000 1.044 572 V CA 2.313 64.690 62.300 0.128 0.000 1.036 572 V CB -0.552 31.406 31.823 0.225 0.000 0.664 572 V HN 0.449 nan 8.190 nan 0.000 0.453 573 I N 0.349 120.959 120.570 0.067 0.000 2.226 573 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 573 I C 2.624 178.741 176.117 -0.001 0.000 1.100 573 I CA 1.779 63.081 61.300 0.003 0.000 1.374 573 I CB -0.293 37.699 38.000 -0.013 0.000 1.057 573 I HN 0.354 nan 8.210 nan 0.000 0.413 574 E N 1.490 121.698 120.200 0.013 0.000 2.152 574 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 574 E C 2.080 178.681 176.600 0.001 0.000 0.983 574 E CA 1.347 57.750 56.400 0.004 0.000 0.818 574 E CB -0.131 29.574 29.700 0.009 0.000 0.758 574 E HN 0.379 nan 8.360 nan 0.000 0.467 575 A N -0.059 122.768 122.820 0.010 0.000 1.940 575 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 575 A C 2.507 180.083 177.584 -0.013 0.000 1.176 575 A CA 1.639 53.678 52.037 0.002 0.000 0.631 575 A CB -1.034 17.974 19.000 0.013 0.000 0.814 575 A HN 0.497 nan 8.150 nan 0.000 0.446 576 C N -0.458 118.835 119.300 -0.012 0.000 2.450 576 C HA -0.023 4.437 4.460 -0.000 0.000 0.279 576 C C 2.632 177.602 174.990 -0.033 0.000 1.335 576 C CA 0.789 59.790 59.018 -0.027 0.000 1.749 576 C CB -1.348 26.377 27.740 -0.025 0.000 1.963 576 C HN 0.629 nan 8.230 nan 0.000 0.501 577 N N 1.080 119.765 118.700 -0.025 0.000 2.142 577 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 577 N C 1.656 177.151 175.510 -0.025 0.000 1.023 577 N CA 1.183 54.218 53.050 -0.024 0.000 0.852 577 N CB -0.456 38.020 38.487 -0.018 0.000 0.998 577 N HN 0.631 nan 8.380 nan 0.000 0.424 578 E N 0.686 120.873 120.200 -0.022 0.000 2.070 578 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 578 E C 1.328 177.910 176.600 -0.031 0.000 1.004 578 E CA 0.869 57.256 56.400 -0.022 0.000 0.805 578 E CB -0.105 29.584 29.700 -0.018 0.000 0.744 578 E HN 0.317 nan 8.360 nan 0.000 0.451 579 L N -0.244 120.956 121.223 -0.038 0.000 2.629 579 L HA 0.202 4.542 4.340 -0.000 0.000 0.230 579 L C 1.102 177.931 176.870 -0.069 0.000 1.151 579 L CA 0.112 54.921 54.840 -0.052 0.000 0.924 579 L CB 0.027 42.053 42.059 -0.055 0.000 1.137 579 L HN 0.239 nan 8.230 nan 0.000 0.457 580 G N 1.270 110.034 108.800 -0.061 0.000 2.225 580 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 580 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 580 G C 0.122 174.960 174.900 -0.103 0.000 1.024 580 G CA 0.076 45.134 45.100 -0.071 0.000 0.784 580 G HN 0.368 nan 8.290 nan 0.000 0.507 581 I N 0.931 121.444 120.570 -0.096 0.000 2.353 581 I HA 0.273 4.443 4.170 -0.000 0.000 0.293 581 I C 0.641 176.723 176.117 -0.058 0.000 0.992 581 I CA -0.534 60.694 61.300 -0.121 0.000 1.268 581 I CB 1.566 39.503 38.000 -0.104 0.000 1.387 581 I HN -0.001 nan 8.210 nan 0.000 0.478 582 T N 7.400 121.942 114.554 -0.020 0.000 2.737 582 T HA 0.331 4.681 4.350 -0.000 0.000 0.296 582 T C -0.370 174.355 174.700 0.043 0.000 0.922 582 T CA -0.202 61.935 62.100 0.062 0.000 1.079 582 T CB 0.413 69.410 68.868 0.215 0.000 0.892 582 T HN 0.184 nan 8.240 nan 0.000 0.514 583 L N 5.751 126.972 121.223 -0.003 0.000 2.329 583 L HA 0.690 5.030 4.340 -0.000 0.000 0.279 583 L C -1.053 175.787 176.870 -0.050 0.000 1.014 583 L CA -0.640 54.183 54.840 -0.028 0.000 0.814 583 L CB 0.918 42.929 42.059 -0.080 0.000 1.257 583 L HN 0.579 nan 8.230 nan 0.000 0.424 584 I N 4.302 124.870 120.570 -0.003 0.000 2.433 584 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 584 I C -0.634 175.556 176.117 0.122 0.000 1.001 584 I CA -0.587 60.744 61.300 0.052 0.000 1.119 584 I CB 1.619 39.702 38.000 0.138 0.000 1.289 584 I HN 0.604 nan 8.210 nan 0.000 0.438 585 H N 3.112 122.208 119.070 0.044 0.000 2.469 585 H HA 0.514 5.070 4.556 -0.000 0.000 0.342 585 H C -0.304 175.029 175.328 0.007 0.000 1.115 585 H CA -0.618 55.440 56.048 0.017 0.000 1.204 585 H CB 2.060 31.827 29.762 0.007 0.000 1.492 585 H HN 0.678 nan 8.280 nan 0.000 0.499 586 T N -0.199 114.407 114.554 0.087 0.000 2.883 586 T HA 0.255 4.605 4.350 -0.000 0.000 0.284 586 T C 0.410 175.081 174.700 -0.047 0.000 1.041 586 T CA -0.970 61.135 62.100 0.009 0.000 1.007 586 T CB 1.603 70.463 68.868 -0.013 0.000 1.220 586 T HN 0.564 nan 8.240 nan 0.000 0.552 587 N N -0.134 118.530 118.700 -0.060 0.000 2.238 587 N HA 0.186 4.926 4.740 -0.000 0.000 0.235 587 N C -0.920 174.535 175.510 -0.090 0.000 1.209 587 N CA -0.178 52.827 53.050 -0.074 0.000 0.879 587 N CB 0.798 39.250 38.487 -0.060 0.000 1.136 587 N HN 0.440 nan 8.380 nan 0.000 0.517 588 L N 1.793 122.956 121.223 -0.100 0.000 2.283 588 L HA 0.355 4.695 4.340 -0.000 0.000 0.281 588 L C 0.244 177.023 176.870 -0.151 0.000 1.033 588 L CA -0.439 54.331 54.840 -0.116 0.000 0.848 588 L CB 0.452 42.445 42.059 -0.110 0.000 1.226 588 L HN -0.095 nan 8.230 nan 0.000 0.429 589 R N 3.982 124.367 120.500 -0.190 0.000 2.459 589 R HA 0.465 4.805 4.340 -0.000 0.000 0.281 589 R C -0.402 175.750 176.300 -0.246 0.000 1.050 589 R CA -0.403 55.521 56.100 -0.293 0.000 1.055 589 R CB 0.701 30.744 30.300 -0.429 0.000 1.045 589 R HN 0.814 nan 8.270 nan 0.000 0.495 590 L N 4.622 125.700 121.223 -0.241 0.000 3.218 590 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 590 L C -0.650 176.249 176.870 0.050 0.000 1.287 590 L CA -0.604 54.166 54.840 -0.117 0.000 1.024 590 L CB 0.158 42.151 42.059 -0.110 0.000 1.409 590 L HN 0.499 nan 8.230 nan 0.000 0.580 591 F N 0.482 120.377 119.950 -0.092 0.000 2.607 591 F HA 0.107 4.634 4.527 -0.000 0.000 0.374 591 F C 0.726 176.487 175.800 -0.064 0.000 1.104 591 F CA -0.037 57.906 58.000 -0.096 0.000 1.296 591 F CB -0.113 38.860 39.000 -0.045 0.000 1.085 591 F HN 0.127 nan 8.300 nan 0.000 0.584 592 H N 3.352 122.325 119.070 -0.163 0.000 2.877 592 H HA 0.449 5.005 4.556 -0.000 0.000 0.347 592 H C -1.092 173.988 175.328 -0.412 0.000 1.042 592 H CA -0.424 55.515 56.048 -0.181 0.000 1.276 592 H CB 0.680 30.381 29.762 -0.103 0.000 1.681 592 H HN 0.571 nan 8.280 nan 0.000 0.521 593 H N 0.000 118.925 119.070 -0.241 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.900 56.048 -0.247 0.000 1.023 593 H CB 0.000 29.699 29.762 -0.105 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496