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 1g8m_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEXLG GRVKTLHPAV HAGILARNIP EDNADXNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEXAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGXNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCXVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRX SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQXDPNYE PDDNEIRTLY GLQLXQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSXKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAXF 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 0.000 176.299 176.300 -0.001 0.000 0.893 4 R CA 0.000 56.102 56.100 0.004 0.000 0.921 4 R CB 0.000 30.307 30.300 0.011 0.000 0.687 5 Q N 2.210 122.008 119.800 -0.003 0.000 2.256 5 Q HA 0.385 4.726 4.340 0.002 0.000 0.257 5 Q C -0.893 175.098 176.000 -0.013 0.000 0.936 5 Q CA -0.628 55.167 55.803 -0.012 0.000 0.903 5 Q CB 1.919 30.647 28.738 -0.017 0.000 1.263 5 Q HN 0.392 nan 8.270 nan 0.000 0.440 6 Q N 2.155 121.943 119.800 -0.020 0.000 2.318 6 Q HA 0.480 4.821 4.340 0.002 0.000 0.222 6 Q C -0.492 175.484 176.000 -0.040 0.000 1.003 6 Q CA -0.523 55.265 55.803 -0.025 0.000 0.936 6 Q CB 1.063 29.785 28.738 -0.026 0.000 1.204 6 Q HN 0.613 nan 8.270 nan 0.000 0.524 7 L N -0.197 120.997 121.223 -0.049 0.000 2.303 7 L HA 0.803 5.144 4.340 0.002 0.000 0.266 7 L C -0.732 176.087 176.870 -0.085 0.000 1.011 7 L CA -1.172 53.628 54.840 -0.067 0.000 0.818 7 L CB 1.676 43.695 42.059 -0.066 0.000 1.326 7 L HN 0.586 nan 8.230 nan 0.000 0.435 8 A N 1.906 124.663 122.820 -0.105 0.000 2.311 8 A HA 0.656 4.977 4.320 0.002 0.000 0.306 8 A C -1.213 176.298 177.584 -0.122 0.000 1.189 8 A CA -0.379 51.579 52.037 -0.132 0.000 0.791 8 A CB 1.162 20.049 19.000 -0.188 0.000 1.172 8 A HN 0.506 nan 8.150 nan 0.000 0.481 9 L N 3.677 124.834 121.223 -0.110 0.000 2.264 9 L HA 0.751 5.091 4.340 0.002 0.000 0.289 9 L C -1.368 175.449 176.870 -0.088 0.000 1.044 9 L CA -0.264 54.516 54.840 -0.100 0.000 0.807 9 L CB 0.780 42.774 42.059 -0.109 0.000 1.192 9 L HN 0.520 nan 8.230 nan 0.000 0.425 10 L N 4.646 125.824 121.223 -0.076 0.000 2.362 10 L HA 0.704 5.045 4.340 0.002 0.000 0.275 10 L C -0.151 176.701 176.870 -0.030 0.000 0.998 10 L CA -0.143 54.667 54.840 -0.051 0.000 0.820 10 L CB 1.906 43.927 42.059 -0.063 0.000 1.270 10 L HN 0.631 nan 8.230 nan 0.000 0.415 11 S N 2.653 118.346 115.700 -0.012 0.000 2.446 11 S HA 0.703 5.174 4.470 0.002 0.000 0.230 11 S C -1.149 173.459 174.600 0.013 0.000 1.051 11 S CA -0.512 57.685 58.200 -0.005 0.000 1.113 11 S CB 0.608 63.789 63.200 -0.032 0.000 1.184 11 S HN 0.534 nan 8.310 nan 0.000 0.435 12 V N 2.239 122.179 119.914 0.045 0.000 2.876 12 V HA 0.735 4.856 4.120 0.002 0.000 0.312 12 V C 0.653 176.799 176.094 0.087 0.000 1.085 12 V CA -0.611 61.729 62.300 0.067 0.000 0.945 12 V CB 1.573 33.456 31.823 0.101 0.000 1.017 12 V HN 0.503 nan 8.190 nan 0.000 0.428 13 S N 1.065 116.826 115.700 0.102 0.000 2.439 13 S HA 0.085 4.556 4.470 0.002 0.000 0.224 13 S C 0.757 175.413 174.600 0.093 0.000 1.029 13 S CA 0.975 59.254 58.200 0.130 0.000 0.946 13 S CB -0.060 63.255 63.200 0.192 0.000 0.797 13 S HN 0.962 nan 8.310 nan 0.000 0.504 14 E N 1.629 121.876 120.200 0.078 0.000 2.028 14 E HA 0.302 4.653 4.350 0.002 0.000 0.266 14 E C -0.139 176.505 176.600 0.073 0.000 0.962 14 E CA -0.172 56.262 56.400 0.057 0.000 0.784 14 E CB 0.588 30.306 29.700 0.029 0.000 1.114 14 E HN -0.178 nan 8.360 nan 0.000 0.414 15 K N 2.497 122.942 120.400 0.074 0.000 2.551 15 K HA 0.265 4.586 4.320 0.002 0.000 0.192 15 K C 0.055 176.718 176.600 0.106 0.000 1.027 15 K CA 0.435 56.778 56.287 0.093 0.000 1.059 15 K CB -0.036 32.507 32.500 0.071 0.000 0.831 15 K HN 0.503 nan 8.250 nan 0.000 0.508 16 A N 0.415 123.281 122.820 0.075 0.000 2.548 16 A HA 0.397 4.718 4.320 0.002 0.000 0.247 16 A C 1.422 179.082 177.584 0.126 0.000 1.067 16 A CA 0.651 52.723 52.037 0.058 0.000 0.757 16 A CB -0.654 18.342 19.000 -0.007 0.000 0.996 16 A HN 0.550 nan 8.150 nan 0.000 0.504 17 G N 1.351 110.237 108.800 0.144 0.000 2.196 17 G HA2 -0.285 3.676 3.960 0.002 0.000 0.268 17 G HA3 -0.285 3.676 3.960 0.002 0.000 0.268 17 G C 0.837 175.963 174.900 0.376 0.000 0.975 17 G CA 0.869 46.117 45.100 0.247 0.000 0.648 17 G HN 1.495 nan 8.290 nan 0.000 0.538 18 L N 0.799 122.206 121.223 0.308 0.000 2.012 18 L HA 0.028 4.368 4.340 0.002 0.000 0.210 18 L C 2.901 179.826 176.870 0.091 0.000 1.073 18 L CA 2.789 57.747 54.840 0.196 0.000 0.748 18 L CB -0.814 41.333 42.059 0.146 0.000 0.891 18 L HN 0.257 nan 8.230 nan 0.000 0.431 19 V N -0.052 119.911 119.914 0.081 0.000 2.252 19 V HA -0.297 3.824 4.120 0.002 0.000 0.249 19 V C 2.696 178.815 176.094 0.042 0.000 1.056 19 V CA 2.088 64.414 62.300 0.043 0.000 1.022 19 V CB -0.761 31.086 31.823 0.041 0.000 0.641 19 V HN 0.479 nan 8.190 nan 0.000 0.445 20 E N -0.749 119.500 120.200 0.082 0.000 2.150 20 E HA -0.155 4.196 4.350 0.002 0.000 0.193 20 E C 1.953 178.624 176.600 0.118 0.000 0.985 20 E CA 0.986 57.437 56.400 0.086 0.000 0.814 20 E CB -0.378 29.382 29.700 0.100 0.000 0.752 20 E HN 0.605 nan 8.360 nan 0.000 0.466 21 F N 1.527 121.426 119.950 -0.085 0.000 2.146 21 F HA -0.026 4.502 4.527 0.001 0.000 0.298 21 F C 2.152 177.841 175.800 -0.185 0.000 1.096 21 F CA 1.066 58.947 58.000 -0.199 0.000 1.275 21 F CB -0.610 38.043 39.000 -0.579 0.000 1.008 21 F HN -0.034 nan 8.300 nan 0.000 0.480 22 A N 0.478 123.177 122.820 -0.201 0.000 1.933 22 A HA -0.186 4.135 4.320 0.002 0.000 0.218 22 A C 2.462 179.934 177.584 -0.187 0.000 1.175 22 A CA 1.567 53.443 52.037 -0.269 0.000 0.628 22 A CB -0.835 18.073 19.000 -0.154 0.000 0.814 22 A HN 0.416 nan 8.150 nan 0.000 0.444 23 R N -0.203 120.239 120.500 -0.097 0.000 2.081 23 R HA -0.108 4.233 4.340 0.002 0.000 0.235 23 R C 2.302 178.556 176.300 -0.077 0.000 1.131 23 R CA 1.763 57.825 56.100 -0.064 0.000 0.960 23 R CB -0.263 30.024 30.300 -0.021 0.000 0.856 23 R HN 0.502 nan 8.270 nan 0.000 0.436 24 S N 0.895 116.550 115.700 -0.075 0.000 2.368 24 S HA -0.089 4.382 4.470 0.002 0.000 0.225 24 S C 1.878 176.397 174.600 -0.134 0.000 1.030 24 S CA 1.089 59.251 58.200 -0.063 0.000 0.999 24 S CB -0.150 63.061 63.200 0.019 0.000 0.844 24 S HN 0.277 nan 8.310 nan 0.000 0.459 25 L N 1.457 122.519 121.223 -0.269 0.000 2.083 25 L HA -0.130 4.211 4.340 0.002 0.000 0.209 25 L C 2.378 179.141 176.870 -0.178 0.000 1.083 25 L CA 1.183 55.850 54.840 -0.289 0.000 0.752 25 L CB -0.626 41.156 42.059 -0.461 0.000 0.899 25 L HN 0.298 nan 8.230 nan 0.000 0.433 26 N N 0.297 118.905 118.700 -0.154 0.000 2.188 26 N HA -0.143 4.598 4.740 0.002 0.000 0.184 26 N C 1.761 177.226 175.510 -0.075 0.000 1.018 26 N CA 1.292 54.279 53.050 -0.104 0.000 0.858 26 N CB -0.023 38.411 38.487 -0.089 0.000 0.989 26 N HN 0.271 nan 8.380 nan 0.000 0.426 27 A N 0.049 122.828 122.820 -0.069 0.000 2.067 27 A HA 0.004 4.325 4.320 0.002 0.000 0.219 27 A C 1.974 179.532 177.584 -0.043 0.000 1.158 27 A CA 0.705 52.715 52.037 -0.046 0.000 0.661 27 A CB -0.546 18.433 19.000 -0.034 0.000 0.801 27 A HN 0.373 nan 8.150 nan 0.000 0.452 28 L N -1.504 119.686 121.223 -0.056 0.000 2.552 28 L HA 0.132 4.473 4.340 0.002 0.000 0.227 28 L C 1.702 178.545 176.870 -0.045 0.000 1.146 28 L CA 0.637 55.448 54.840 -0.048 0.000 0.858 28 L CB -0.162 41.862 42.059 -0.059 0.000 0.969 28 L HN 0.591 nan 8.230 nan 0.000 0.451 29 G N 0.065 108.835 108.800 -0.050 0.000 2.159 29 G HA2 -0.233 3.728 3.960 0.002 0.000 0.227 29 G HA3 -0.233 3.728 3.960 0.002 0.000 0.227 29 G C 0.121 174.991 174.900 -0.050 0.000 0.986 29 G CA -0.447 44.627 45.100 -0.043 0.000 0.651 29 G HN 0.174 nan 8.290 nan 0.000 0.523 30 L N 1.293 122.475 121.223 -0.068 0.000 2.326 30 L HA 0.596 4.937 4.340 0.002 0.000 0.278 30 L C 1.326 178.149 176.870 -0.078 0.000 1.092 30 L CA -0.216 54.578 54.840 -0.076 0.000 0.810 30 L CB 1.248 43.244 42.059 -0.104 0.000 1.153 30 L HN 0.181 nan 8.230 nan 0.000 0.439 31 G N 3.967 112.728 108.800 -0.065 0.000 2.370 31 G HA2 0.466 4.427 3.960 0.002 0.000 0.272 31 G HA3 0.466 4.427 3.960 0.002 0.000 0.272 31 G C -0.362 174.492 174.900 -0.076 0.000 1.208 31 G CA -0.596 44.467 45.100 -0.061 0.000 0.856 31 G HN 0.416 nan 8.290 nan 0.000 0.500 32 L N 2.822 123.998 121.223 -0.078 0.000 2.305 32 L HA 0.532 4.873 4.340 0.002 0.000 0.281 32 L C 0.306 177.133 176.870 -0.072 0.000 1.085 32 L CA -0.561 54.226 54.840 -0.089 0.000 0.813 32 L CB 1.058 43.061 42.059 -0.093 0.000 1.157 32 L HN 0.489 nan 8.230 nan 0.000 0.436 33 I N 0.728 121.253 120.570 -0.076 0.000 2.582 33 I HA 0.972 5.143 4.170 0.002 0.000 0.292 33 I C -0.668 175.410 176.117 -0.064 0.000 1.066 33 I CA -0.636 60.625 61.300 -0.066 0.000 1.053 33 I CB 2.150 40.107 38.000 -0.071 0.000 1.241 33 I HN 0.609 nan 8.210 nan 0.000 0.421 34 A N 3.361 126.152 122.820 -0.049 0.000 2.606 34 A HA 0.795 5.116 4.320 0.002 0.000 0.293 34 A C -0.282 177.287 177.584 -0.025 0.000 1.082 34 A CA -0.468 51.546 52.037 -0.039 0.000 0.685 34 A CB 1.553 20.534 19.000 -0.032 0.000 1.284 34 A HN 0.935 nan 8.150 nan 0.000 0.408 35 S N 0.238 115.929 115.700 -0.015 0.000 2.626 35 S HA 0.461 4.932 4.470 0.002 0.000 0.257 35 S C 1.499 176.106 174.600 0.011 0.000 1.288 35 S CA 0.035 58.236 58.200 0.001 0.000 0.980 35 S CB 0.143 63.351 63.200 0.013 0.000 0.975 35 S HN 1.912 nan 8.310 nan 0.000 0.577 36 G N 0.851 109.665 108.800 0.023 0.000 2.777 36 G HA2 -0.135 3.826 3.960 0.002 0.000 0.217 36 G HA3 -0.135 3.826 3.960 0.002 0.000 0.217 36 G C 1.461 176.376 174.900 0.025 0.000 1.295 36 G CA 0.898 46.012 45.100 0.024 0.000 0.800 36 G HN 1.016 nan 8.290 nan 0.000 0.637 37 G N -0.306 108.516 108.800 0.037 0.000 2.476 37 G HA2 -0.200 3.761 3.960 0.002 0.000 0.218 37 G HA3 -0.200 3.761 3.960 0.002 0.000 0.218 37 G C 1.891 176.810 174.900 0.031 0.000 1.164 37 G CA 1.988 47.110 45.100 0.036 0.000 0.768 37 G HN 0.449 nan 8.290 nan 0.000 0.560 38 T N 1.572 116.146 114.554 0.033 0.000 2.788 38 T HA 0.019 4.369 4.350 0.002 0.000 0.268 38 T C 2.783 177.489 174.700 0.010 0.000 1.044 38 T CA 1.529 63.644 62.100 0.025 0.000 1.139 38 T CB -0.348 68.534 68.868 0.022 0.000 0.867 38 T HN 0.405 nan 8.240 nan 0.000 0.454 39 A N 1.291 124.113 122.820 0.004 0.000 1.902 39 A HA -0.112 4.209 4.320 0.002 0.000 0.217 39 A C 2.561 180.144 177.584 -0.001 0.000 1.181 39 A CA 1.978 54.012 52.037 -0.005 0.000 0.623 39 A CB -1.203 17.793 19.000 -0.007 0.000 0.818 39 A HN 0.461 nan 8.150 nan 0.000 0.443 40 T N 0.321 114.878 114.554 0.006 0.000 2.746 40 T HA -0.034 4.317 4.350 0.002 0.000 0.267 40 T C 2.197 176.902 174.700 0.008 0.000 1.039 40 T CA 1.589 63.693 62.100 0.007 0.000 1.142 40 T CB -0.416 68.459 68.868 0.011 0.000 0.866 40 T HN 0.592 nan 8.240 nan 0.000 0.444 41 A N 0.975 123.802 122.820 0.013 0.000 1.930 41 A HA 0.069 4.390 4.320 0.002 0.000 0.217 41 A C 2.282 179.872 177.584 0.010 0.000 1.175 41 A CA 1.037 53.084 52.037 0.015 0.000 0.627 41 A CB -0.706 18.309 19.000 0.025 0.000 0.815 41 A HN 0.472 nan 8.150 nan 0.000 0.443 42 L N -1.298 119.927 121.223 0.003 0.000 2.072 42 L HA -0.126 4.215 4.340 0.002 0.000 0.205 42 L C 2.854 179.719 176.870 -0.009 0.000 1.079 42 L CA 1.183 56.019 54.840 -0.007 0.000 0.752 42 L CB -0.439 41.608 42.059 -0.020 0.000 0.906 42 L HN 0.340 nan 8.230 nan 0.000 0.436 43 R N -0.060 120.435 120.500 -0.007 0.000 2.092 43 R HA -0.133 4.208 4.340 0.002 0.000 0.231 43 R C 1.800 178.098 176.300 -0.003 0.000 1.119 43 R CA 1.294 57.389 56.100 -0.007 0.000 0.970 43 R CB -0.325 29.972 30.300 -0.006 0.000 0.864 43 R HN 0.309 nan 8.270 nan 0.000 0.440 44 D N 0.742 121.142 120.400 0.001 0.000 2.221 44 D HA -0.126 4.515 4.640 0.002 0.000 0.204 44 D C 1.287 177.588 176.300 0.003 0.000 0.982 44 D CA 1.251 55.253 54.000 0.003 0.000 0.857 44 D CB -0.042 40.761 40.800 0.006 0.000 0.934 44 D HN 0.253 nan 8.370 nan 0.000 0.475 45 A N -0.538 122.283 122.820 0.002 0.000 2.278 45 A HA 0.445 4.766 4.320 0.002 0.000 0.212 45 A C 1.739 179.322 177.584 -0.002 0.000 1.213 45 A CA 0.841 52.880 52.037 0.002 0.000 0.840 45 A CB -0.251 18.752 19.000 0.004 0.000 0.866 45 A HN 0.215 nan 8.150 nan 0.000 0.489 46 G N -1.158 107.639 108.800 -0.005 0.000 2.148 46 G HA2 -0.224 3.737 3.960 0.002 0.000 0.254 46 G HA3 -0.224 3.737 3.960 0.002 0.000 0.254 46 G C 0.086 174.978 174.900 -0.012 0.000 0.981 46 G CA 0.423 45.519 45.100 -0.007 0.000 0.670 46 G HN 0.447 nan 8.290 nan 0.000 0.528 47 L N 1.832 123.046 121.223 -0.016 0.000 2.375 47 L HA 0.468 4.809 4.340 0.002 0.000 0.271 47 L C -1.417 175.437 176.870 -0.026 0.000 1.107 47 L CA -2.086 52.739 54.840 -0.025 0.000 0.806 47 L CB 1.197 43.237 42.059 -0.032 0.000 1.146 47 L HN -0.018 nan 8.230 nan 0.000 0.447 48 P HA 0.178 nan 4.420 nan 0.000 0.287 48 P C -1.057 176.222 177.300 -0.036 0.000 1.281 48 P CA -0.115 62.968 63.100 -0.029 0.000 0.781 48 P CB 1.954 33.637 31.700 -0.029 0.000 0.903 49 V N 4.366 124.262 119.914 -0.032 0.000 2.808 49 V HA 0.459 4.580 4.120 0.002 0.000 0.308 49 V C -0.731 175.344 176.094 -0.031 0.000 1.099 49 V CA -1.054 61.224 62.300 -0.036 0.000 0.920 49 V CB 2.516 34.317 31.823 -0.036 0.000 1.014 49 V HN 0.551 nan 8.190 nan 0.000 0.425 50 R N 4.209 124.688 120.500 -0.035 0.000 2.346 50 R HA 0.418 4.759 4.340 0.002 0.000 0.311 50 R C -0.721 175.560 176.300 -0.032 0.000 0.983 50 R CA -0.638 55.444 56.100 -0.030 0.000 0.880 50 R CB 1.005 31.286 30.300 -0.031 0.000 1.100 50 R HN 0.774 nan 8.270 nan 0.000 0.453 51 D N 3.360 123.744 120.400 -0.026 0.000 2.414 51 D HA -0.079 4.562 4.640 0.002 0.000 0.242 51 D C 1.271 177.551 176.300 -0.033 0.000 1.129 51 D CA 0.034 54.019 54.000 -0.024 0.000 0.885 51 D CB 1.942 42.733 40.800 -0.015 0.000 1.198 51 D HN 0.348 nan 8.370 nan 0.000 0.437 52 V N 3.101 122.994 119.914 -0.036 0.000 2.392 52 V HA -0.284 3.836 4.120 0.002 0.000 0.249 52 V C 2.165 178.228 176.094 -0.052 0.000 1.059 52 V CA 2.761 65.031 62.300 -0.051 0.000 1.051 52 V CB -0.385 31.410 31.823 -0.047 0.000 0.658 52 V HN 0.681 nan 8.190 nan 0.000 0.455 53 S N -0.581 115.102 115.700 -0.028 0.000 2.399 53 S HA -0.258 4.213 4.470 0.002 0.000 0.231 53 S C 1.760 176.341 174.600 -0.032 0.000 1.022 53 S CA 1.757 59.946 58.200 -0.018 0.000 0.983 53 S CB -0.739 62.463 63.200 0.003 0.000 0.803 53 S HN 0.782 nan 8.310 nan 0.000 0.480 54 D N 0.638 121.019 120.400 -0.031 0.000 2.269 54 D HA 0.046 4.687 4.640 0.002 0.000 0.208 54 D C 1.683 177.965 176.300 -0.030 0.000 0.963 54 D CA 0.437 54.421 54.000 -0.027 0.000 0.864 54 D CB -0.223 40.565 40.800 -0.021 0.000 0.936 54 D HN 0.387 nan 8.370 nan 0.000 0.505 55 L N -0.412 120.781 121.223 -0.050 0.000 2.162 55 L HA 0.066 4.407 4.340 0.002 0.000 0.205 55 L C 2.292 179.104 176.870 -0.096 0.000 1.086 55 L CA 1.653 56.457 54.840 -0.060 0.000 0.778 55 L CB -0.380 41.626 42.059 -0.088 0.000 0.928 55 L HN 0.201 nan 8.230 nan 0.000 0.446 56 T N -4.923 109.528 114.554 -0.172 0.000 3.044 56 T HA 0.247 4.598 4.350 0.002 0.000 0.255 56 T C 1.542 176.130 174.700 -0.186 0.000 1.073 56 T CA 0.485 62.334 62.100 -0.418 0.000 1.125 56 T CB 0.179 68.677 68.868 -0.616 0.000 0.908 56 T HN 0.440 nan 8.240 nan 0.000 0.480 57 G N 0.764 109.527 108.800 -0.061 0.000 2.176 57 G HA2 -0.170 3.791 3.960 0.002 0.000 0.253 57 G HA3 -0.170 3.791 3.960 0.002 0.000 0.253 57 G C -0.158 174.646 174.900 -0.159 0.000 0.979 57 G CA -0.018 45.042 45.100 -0.066 0.000 0.641 57 G HN 0.552 nan 8.290 nan 0.000 0.530 58 F N 2.185 122.061 119.950 -0.122 0.000 2.495 58 F HA 0.606 5.134 4.527 0.001 0.000 0.327 58 F C -1.553 174.219 175.800 -0.046 0.000 1.103 58 F CA -2.187 55.777 58.000 -0.059 0.000 0.949 58 F CB 2.348 41.325 39.000 -0.037 0.000 1.142 58 F HN -0.109 nan 8.300 nan 0.000 0.457 59 P HA 0.191 nan 4.420 nan 0.000 0.276 59 P C -0.614 176.749 177.300 0.107 0.000 1.252 59 P CA -0.416 62.733 63.100 0.082 0.000 0.802 59 P CB 1.160 32.888 31.700 0.047 0.000 1.035 63 G N 0.131 108.960 108.800 0.050 0.000 2.356 63 G HA2 -0.016 3.945 3.960 0.002 0.000 0.296 63 G HA3 -0.016 3.945 3.960 0.002 0.000 0.296 63 G C 1.119 176.053 174.900 0.056 0.000 1.022 63 G CA 0.908 46.034 45.100 0.043 0.000 0.961 63 G HN 1.408 nan 8.290 nan 0.000 0.510 64 G N -1.315 107.530 108.800 0.076 0.000 2.195 64 G HA2 -0.322 3.639 3.960 0.002 0.000 0.246 64 G HA3 -0.322 3.639 3.960 0.002 0.000 0.246 64 G C 1.219 176.215 174.900 0.160 0.000 0.984 64 G CA 1.087 46.258 45.100 0.117 0.000 0.633 64 G HN 0.887 nan 8.290 nan 0.000 0.525 65 R N -0.588 119.987 120.500 0.125 0.000 2.148 65 R HA 0.227 4.568 4.340 0.002 0.000 0.223 65 R C 0.386 176.743 176.300 0.096 0.000 1.088 65 R CA 1.422 57.599 56.100 0.129 0.000 0.985 65 R CB 0.222 30.580 30.300 0.098 0.000 0.880 65 R HN 0.366 nan 8.270 nan 0.000 0.451 66 V N 1.560 121.521 119.914 0.079 0.000 2.462 66 V HA 0.161 4.282 4.120 0.002 0.000 0.288 66 V C -0.131 175.998 176.094 0.058 0.000 1.020 66 V CA -0.535 61.798 62.300 0.055 0.000 0.857 66 V CB 1.668 33.513 31.823 0.037 0.000 1.013 66 V HN 0.257 nan 8.190 nan 0.000 0.431 67 K N 1.392 121.822 120.400 0.051 0.000 2.658 67 K HA 0.130 4.451 4.320 0.002 0.000 0.202 67 K C 1.075 177.693 176.600 0.029 0.000 1.563 67 K CA 0.609 56.923 56.287 0.046 0.000 1.129 67 K CB 0.838 33.368 32.500 0.050 0.000 1.507 67 K HN 0.603 nan 8.250 nan 0.000 0.581 68 T N -0.812 113.762 114.554 0.032 0.000 3.040 68 T HA 0.347 4.698 4.350 0.002 0.000 0.266 68 T C 0.487 175.258 174.700 0.118 0.000 1.005 68 T CA -0.453 61.666 62.100 0.032 0.000 0.906 68 T CB -0.079 68.780 68.868 -0.014 0.000 1.082 68 T HN -0.025 nan 8.240 nan 0.000 0.531 69 L N 3.306 124.593 121.223 0.107 0.000 2.391 69 L HA 0.395 4.735 4.340 0.002 0.000 0.249 69 L C 0.231 177.149 176.870 0.080 0.000 1.308 69 L CA -0.228 54.673 54.840 0.101 0.000 1.209 69 L CB -0.568 41.492 42.059 0.000 0.000 1.401 69 L HN 0.428 nan 8.230 nan 0.000 0.416 70 H N 1.170 120.269 119.070 0.048 0.000 2.961 70 H HA 0.264 4.821 4.556 0.002 0.000 0.371 70 H C -2.366 172.971 175.328 0.015 0.000 1.190 70 H CA -1.599 54.423 56.048 -0.044 0.000 1.138 70 H CB 3.015 32.718 29.762 -0.099 0.000 1.816 70 H HN -0.063 nan 8.280 nan 0.000 0.551 71 P HA -0.106 nan 4.420 nan 0.000 0.218 71 P C 1.114 178.316 177.300 -0.164 0.000 1.148 71 P CA 2.162 65.178 63.100 -0.140 0.000 0.822 71 P CB 0.054 31.683 31.700 -0.118 0.000 0.784 72 A N -0.819 121.884 122.820 -0.195 0.000 1.940 72 A HA -0.168 4.153 4.320 0.002 0.000 0.219 72 A C 2.289 179.600 177.584 -0.455 0.000 1.176 72 A CA 1.888 53.401 52.037 -0.874 0.000 0.631 72 A CB -1.581 17.107 19.000 -0.520 0.000 0.814 72 A HN 0.058 nan 8.150 nan 0.000 0.446 73 V N -0.877 118.926 119.914 -0.185 0.000 2.302 73 V HA -0.153 3.967 4.120 0.002 0.000 0.243 73 V C 2.364 178.292 176.094 -0.277 0.000 1.036 73 V CA 1.743 63.908 62.300 -0.225 0.000 1.020 73 V CB -0.969 30.725 31.823 -0.216 0.000 0.657 73 V HN 0.648 nan 8.190 nan 0.000 0.453 74 H N 0.061 119.081 119.070 -0.082 0.000 2.428 74 H HA 0.035 4.592 4.556 0.001 0.000 0.296 74 H C 2.317 177.623 175.328 -0.037 0.000 1.062 74 H CA 1.504 57.519 56.048 -0.055 0.000 1.350 74 H CB -0.062 29.672 29.762 -0.047 0.000 1.403 74 H HN 0.453 nan 8.280 nan 0.000 0.533 75 A N 0.799 123.649 122.820 0.050 0.000 1.930 75 A HA -0.042 4.279 4.320 0.002 0.000 0.217 75 A C 2.782 180.391 177.584 0.042 0.000 1.175 75 A CA 1.267 53.353 52.037 0.082 0.000 0.627 75 A CB -0.926 18.191 19.000 0.194 0.000 0.815 75 A HN 0.435 nan 8.150 nan 0.000 0.443 76 G N -0.046 108.729 108.800 -0.041 0.000 2.432 76 G HA2 -0.150 3.811 3.960 0.002 0.000 0.219 76 G HA3 -0.150 3.811 3.960 0.002 0.000 0.219 76 G C 1.461 176.337 174.900 -0.041 0.000 1.135 76 G CA 1.187 46.259 45.100 -0.045 0.000 0.767 76 G HN 0.496 nan 8.290 nan 0.000 0.550 77 I N -0.228 120.306 120.570 -0.060 0.000 2.494 77 I HA 0.082 4.253 4.170 0.002 0.000 0.250 77 I C 2.381 178.495 176.117 -0.005 0.000 1.112 77 I CA 0.455 61.725 61.300 -0.050 0.000 1.438 77 I CB -0.031 37.914 38.000 -0.092 0.000 1.111 77 I HN 0.074 nan 8.210 nan 0.000 0.431 78 L N 0.787 122.024 121.223 0.024 0.000 2.341 78 L HA 0.160 4.501 4.340 0.002 0.000 0.214 78 L C 1.417 178.306 176.870 0.031 0.000 1.115 78 L CA -0.341 54.522 54.840 0.038 0.000 0.820 78 L CB -0.394 41.702 42.059 0.062 0.000 0.944 78 L HN 0.106 nan 8.230 nan 0.000 0.452 79 A N 1.100 123.941 122.820 0.034 0.000 2.531 79 A HA 0.244 4.565 4.320 0.002 0.000 0.236 79 A C 0.260 177.855 177.584 0.018 0.000 1.062 79 A CA 0.256 52.313 52.037 0.034 0.000 0.760 79 A CB 0.099 19.128 19.000 0.049 0.000 0.995 79 A HN 0.302 nan 8.150 nan 0.000 0.501 80 R N 1.141 121.650 120.500 0.014 0.000 2.828 80 R HA 0.309 4.650 4.340 0.002 0.000 0.264 80 R C -0.737 175.566 176.300 0.005 0.000 1.022 80 R CA -0.981 55.121 56.100 0.003 0.000 1.021 80 R CB 0.850 31.149 30.300 -0.002 0.000 1.163 80 R HN 0.729 nan 8.270 nan 0.000 0.494 81 N N 2.761 121.461 118.700 -0.000 0.000 3.050 81 N HA 0.150 4.891 4.740 0.002 0.000 0.289 81 N C -0.540 174.971 175.510 0.001 0.000 1.209 81 N CA 0.248 53.299 53.050 0.001 0.000 1.154 81 N CB -0.195 38.291 38.487 -0.001 0.000 1.444 81 N HN 0.421 nan 8.380 nan 0.000 0.529 82 I N -3.227 117.344 120.570 0.003 0.000 2.969 82 I HA 0.496 4.667 4.170 0.002 0.000 0.307 82 I C -2.248 173.871 176.117 0.003 0.000 1.149 82 I CA -2.572 58.729 61.300 0.002 0.000 1.008 82 I CB 2.432 40.433 38.000 0.002 0.000 1.232 82 I HN -0.204 nan 8.210 nan 0.000 0.435 83 P HA -0.193 nan 4.420 nan 0.000 0.214 83 P C 0.944 178.245 177.300 0.001 0.000 1.169 83 P CA 1.908 65.008 63.100 0.001 0.000 0.908 83 P CB 0.155 31.855 31.700 -0.000 0.000 0.791 84 E N -0.481 119.720 120.200 0.001 0.000 2.070 84 E HA -0.208 4.143 4.350 0.002 0.000 0.197 84 E C 1.785 178.388 176.600 0.004 0.000 1.004 84 E CA 1.677 58.078 56.400 0.001 0.000 0.805 84 E CB -1.198 28.504 29.700 0.002 0.000 0.744 84 E HN 0.316 nan 8.360 nan 0.000 0.451 85 D N -0.067 120.338 120.400 0.008 0.000 2.117 85 D HA -0.075 4.566 4.640 0.002 0.000 0.198 85 D C 1.520 177.830 176.300 0.017 0.000 0.982 85 D CA 0.806 54.816 54.000 0.016 0.000 0.828 85 D CB -0.318 40.493 40.800 0.019 0.000 0.967 85 D HN 0.073 nan 8.370 nan 0.000 0.464 86 N N 0.447 119.154 118.700 0.012 0.000 2.223 86 N HA -0.085 4.655 4.740 0.002 0.000 0.185 86 N C 1.604 177.115 175.510 0.003 0.000 1.016 86 N CA 1.073 54.130 53.050 0.011 0.000 0.863 86 N CB -0.319 38.173 38.487 0.007 0.000 0.983 86 N HN 0.138 nan 8.380 nan 0.000 0.429 87 A N 1.082 123.901 122.820 -0.003 0.000 1.877 87 A HA -0.092 4.229 4.320 0.002 0.000 0.216 87 A C 1.052 178.622 177.584 -0.023 0.000 1.186 87 A CA 0.940 52.969 52.037 -0.012 0.000 0.620 87 A CB -0.351 18.643 19.000 -0.011 0.000 0.822 87 A HN 0.146 nan 8.150 nan 0.000 0.443 91 K N 0.581 120.927 120.400 -0.090 0.000 2.063 91 K HA -0.041 4.280 4.320 0.002 0.000 0.208 91 K C 0.937 177.430 176.600 -0.179 0.000 1.048 91 K CA 1.484 57.707 56.287 -0.107 0.000 0.928 91 K CB 0.091 32.537 32.500 -0.090 0.000 0.713 91 K HN 0.122 nan 8.250 nan 0.000 0.442 92 Q N 0.572 120.188 119.800 -0.307 0.000 2.425 92 Q HA -0.046 4.295 4.340 0.002 0.000 0.204 92 Q C -0.295 175.355 176.000 -0.584 0.000 0.933 92 Q CA 0.791 56.233 55.803 -0.601 0.000 0.939 92 Q CB 0.150 28.216 28.738 -1.120 0.000 1.044 92 Q HN 0.474 nan 8.270 nan 0.000 0.513 93 D N -0.653 119.591 120.400 -0.259 0.000 2.746 93 D HA -0.186 4.454 4.640 0.002 0.000 0.236 93 D C -1.354 175.031 176.300 0.143 0.000 1.129 93 D CA 0.235 54.201 54.000 -0.056 0.000 0.691 93 D CB -0.966 39.822 40.800 -0.020 0.000 1.077 93 D HN -0.025 nan 8.370 nan 0.000 0.432 94 F N 0.384 120.347 119.950 0.022 0.000 2.422 94 F HA 0.559 5.087 4.527 0.002 0.000 0.333 94 F C 1.197 177.003 175.800 0.010 0.000 1.095 94 F CA -1.262 56.751 58.000 0.023 0.000 1.038 94 F CB 1.728 40.746 39.000 0.031 0.000 1.156 94 F HN -0.198 nan 8.300 nan 0.000 0.483 95 S N 2.633 118.445 115.700 0.187 0.000 2.617 95 S HA 0.609 5.080 4.470 0.002 0.000 0.283 95 S C -0.191 174.439 174.600 0.048 0.000 1.189 95 S CA -0.716 57.535 58.200 0.084 0.000 1.036 95 S CB 1.096 64.320 63.200 0.039 0.000 1.014 95 S HN 0.355 nan 8.310 nan 0.000 0.522 96 L N 2.052 123.293 121.223 0.029 0.000 2.371 96 L HA 0.375 4.716 4.340 0.002 0.000 0.272 96 L C -0.597 176.261 176.870 -0.021 0.000 1.124 96 L CA -0.618 54.227 54.840 0.008 0.000 0.816 96 L CB 0.705 42.769 42.059 0.009 0.000 1.129 96 L HN 0.304 nan 8.230 nan 0.000 0.448 97 V N 4.123 124.015 119.914 -0.036 0.000 2.350 97 V HA 0.224 4.345 4.120 0.002 0.000 0.276 97 V C 0.914 176.980 176.094 -0.046 0.000 1.028 97 V CA -0.328 61.938 62.300 -0.056 0.000 0.860 97 V CB 1.194 32.968 31.823 -0.081 0.000 0.990 97 V HN 0.774 nan 8.190 nan 0.000 0.453 98 R N 4.058 124.529 120.500 -0.048 0.000 2.156 98 R HA 0.228 4.569 4.340 0.002 0.000 0.207 98 R C -0.087 176.188 176.300 -0.041 0.000 1.040 98 R CA 0.642 56.718 56.100 -0.039 0.000 1.013 98 R CB 0.573 30.850 30.300 -0.038 0.000 0.931 98 R HN 0.537 nan 8.270 nan 0.000 0.465 99 V N 1.315 121.193 119.914 -0.060 0.000 2.709 99 V HA 0.387 4.507 4.120 0.002 0.000 0.308 99 V C -0.953 175.102 176.094 -0.065 0.000 1.062 99 V CA -0.877 61.389 62.300 -0.057 0.000 0.901 99 V CB 2.104 33.873 31.823 -0.091 0.000 1.003 99 V HN -0.188 nan 8.190 nan 0.000 0.425 100 V N 4.962 124.853 119.914 -0.039 0.000 2.407 100 V HA 0.476 4.596 4.120 0.002 0.000 0.291 100 V C -0.462 175.633 176.094 0.001 0.000 1.018 100 V CA -0.517 61.757 62.300 -0.044 0.000 0.842 100 V CB 2.017 33.804 31.823 -0.060 0.000 0.996 100 V HN 0.631 nan 8.190 nan 0.000 0.426 101 V N 4.542 124.459 119.914 0.006 0.000 2.334 101 V HA 0.602 4.722 4.120 0.002 0.000 0.281 101 V C -0.246 175.881 176.094 0.054 0.000 1.016 101 V CA -0.360 61.987 62.300 0.079 0.000 0.832 101 V CB 1.313 33.186 31.823 0.083 0.000 0.999 101 V HN 0.995 nan 8.190 nan 0.000 0.439 102 C N 5.843 125.180 119.300 0.061 0.000 3.090 102 C HA 0.801 5.262 4.460 0.002 0.000 0.347 102 C C -1.332 173.675 174.990 0.028 0.000 1.147 102 C CA -0.525 58.508 59.018 0.025 0.000 1.305 102 C CB 1.446 29.169 27.740 -0.029 0.000 1.692 102 C HN 1.093 nan 8.230 nan 0.000 0.506 103 N N 4.228 122.942 118.700 0.023 0.000 2.242 103 N HA 0.740 5.481 4.740 0.002 0.000 0.292 103 N C -1.340 174.172 175.510 0.004 0.000 1.125 103 N CA -0.847 52.222 53.050 0.031 0.000 0.783 103 N CB 0.853 39.350 38.487 0.016 0.000 1.558 103 N HN 0.666 nan 8.380 nan 0.000 0.472 104 L N 0.216 121.440 121.223 0.001 0.000 2.439 104 L HA 0.433 4.774 4.340 0.002 0.000 0.259 104 L C -0.035 176.890 176.870 0.092 0.000 1.129 104 L CA -1.146 53.620 54.840 -0.124 0.000 0.803 104 L CB 0.124 41.878 42.059 -0.507 0.000 1.161 104 L HN 0.478 nan 8.230 nan 0.000 0.462 105 Y N 0.724 121.059 120.300 0.058 0.000 2.904 105 Y HA -0.002 4.550 4.550 0.002 0.000 0.336 105 Y C -1.745 174.295 175.900 0.234 0.000 1.263 105 Y CA -2.069 56.115 58.100 0.140 0.000 1.547 105 Y CB -0.669 37.896 38.460 0.175 0.000 1.272 105 Y HN 0.313 nan 8.280 nan 0.000 0.596 106 P HA -0.022 nan 4.420 nan 0.000 0.238 106 P C 0.593 178.022 177.300 0.215 0.000 1.729 106 P CA 0.310 63.555 63.100 0.242 0.000 1.055 106 P CB -0.715 31.058 31.700 0.121 0.000 1.980 107 F N 1.981 122.041 119.950 0.184 0.000 2.102 107 F HA -0.214 4.314 4.527 0.001 0.000 0.298 107 F C 1.915 177.644 175.800 -0.119 0.000 1.105 107 F CA 1.617 59.598 58.000 -0.032 0.000 1.239 107 F CB -0.466 38.399 39.000 -0.225 0.000 0.991 107 F HN -0.110 nan 8.300 nan 0.000 0.474 108 V N 0.522 120.447 119.914 0.018 0.000 2.332 108 V HA -0.329 3.792 4.120 0.002 0.000 0.248 108 V C 2.393 178.388 176.094 -0.165 0.000 1.055 108 V CA 2.347 64.592 62.300 -0.092 0.000 1.038 108 V CB -0.796 31.072 31.823 0.075 0.000 0.651 108 V HN 0.247 nan 8.190 nan 0.000 0.450 109 K N 0.735 121.083 120.400 -0.086 0.000 2.097 109 K HA -0.142 4.179 4.320 0.002 0.000 0.205 109 K C 2.214 178.718 176.600 -0.159 0.000 1.050 109 K CA 1.874 58.108 56.287 -0.088 0.000 0.938 109 K CB -0.645 31.836 32.500 -0.030 0.000 0.718 109 K HN 0.703 nan 8.250 nan 0.000 0.442 110 T N -1.283 113.138 114.554 -0.222 0.000 2.708 110 T HA -0.153 4.198 4.350 0.002 0.000 0.266 110 T C 1.869 176.340 174.700 -0.381 0.000 1.037 110 T CA 1.591 63.526 62.100 -0.275 0.000 1.146 110 T CB -1.069 67.626 68.868 -0.289 0.000 0.865 110 T HN 0.055 nan 8.240 nan 0.000 0.435 111 V N 1.191 120.737 119.914 -0.613 0.000 2.970 111 V HA 0.055 4.176 4.120 0.002 0.000 0.260 111 V C 2.423 178.331 176.094 -0.311 0.000 1.100 111 V CA 1.289 63.219 62.300 -0.616 0.000 1.122 111 V CB -1.238 29.990 31.823 -0.992 0.000 0.721 111 V HN 0.678 nan 8.190 nan 0.000 0.483 112 S N 0.910 116.465 115.700 -0.242 0.000 2.631 112 S HA 0.160 4.631 4.470 0.002 0.000 0.217 112 S C 0.946 175.482 174.600 -0.106 0.000 0.958 112 S CA 0.190 58.308 58.200 -0.137 0.000 0.920 112 S CB -0.700 62.438 63.200 -0.105 0.000 0.776 112 S HN 0.993 nan 8.310 nan 0.000 0.517 113 S N 0.804 116.429 115.700 -0.125 0.000 2.651 113 S HA 0.594 5.065 4.470 0.002 0.000 0.291 113 S C -3.067 171.493 174.600 -0.067 0.000 1.141 113 S CA -1.627 56.521 58.200 -0.087 0.000 1.027 113 S CB 0.349 63.495 63.200 -0.090 0.000 1.043 113 S HN 0.006 nan 8.310 nan 0.000 0.530 114 P HA 0.140 nan 4.420 nan 0.000 0.212 114 P C 0.736 178.020 177.300 -0.027 0.000 0.974 114 P CA 1.794 64.876 63.100 -0.030 0.000 1.226 114 P CB -0.811 30.874 31.700 -0.026 0.000 1.258 115 G N 1.926 110.713 108.800 -0.022 0.000 2.225 115 G HA2 -0.243 3.718 3.960 0.002 0.000 0.264 115 G HA3 -0.243 3.718 3.960 0.002 0.000 0.264 115 G C 0.290 175.181 174.900 -0.014 0.000 1.060 115 G CA -0.185 44.907 45.100 -0.012 0.000 0.833 115 G HN 0.618 nan 8.290 nan 0.000 0.498 116 V N 1.183 121.078 119.914 -0.031 0.000 2.763 116 V HA 0.586 4.707 4.120 0.002 0.000 0.306 116 V C 1.227 177.322 176.094 0.002 0.000 1.059 116 V CA 1.139 63.413 62.300 -0.044 0.000 1.138 116 V CB 1.081 32.836 31.823 -0.113 0.000 0.940 116 V HN 1.161 nan 8.190 nan 0.000 0.489 117 T N 3.082 117.645 114.554 0.015 0.000 2.952 117 T HA 0.441 4.792 4.350 0.002 0.000 0.286 117 T C 0.997 175.760 174.700 0.104 0.000 1.024 117 T CA -0.127 62.009 62.100 0.060 0.000 1.029 117 T CB 1.555 70.454 68.868 0.051 0.000 1.094 117 T HN 0.393 nan 8.240 nan 0.000 0.515 118 V N 2.068 122.082 119.914 0.167 0.000 2.252 118 V HA -0.083 4.038 4.120 0.002 0.000 0.249 118 V C -0.530 175.693 176.094 0.214 0.000 1.056 118 V CA 1.859 64.312 62.300 0.256 0.000 1.022 118 V CB -1.730 30.280 31.823 0.312 0.000 0.641 118 V HN 0.761 nan 8.190 nan 0.000 0.445 119 P HA -0.175 nan 4.420 nan 0.000 0.216 119 P C 1.608 178.964 177.300 0.092 0.000 1.153 119 P CA 1.555 64.733 63.100 0.130 0.000 0.858 119 P CB -0.040 31.716 31.700 0.093 0.000 0.789 120 E N -0.540 119.691 120.200 0.052 0.000 2.077 120 E HA -0.159 4.192 4.350 0.002 0.000 0.193 120 E C 2.115 178.707 176.600 -0.014 0.000 0.989 120 E CA 1.258 57.661 56.400 0.005 0.000 0.800 120 E CB -0.615 29.069 29.700 -0.026 0.000 0.746 120 E HN 0.167 nan 8.360 nan 0.000 0.452 121 A N 1.089 123.883 122.820 -0.043 0.000 1.877 121 A HA -0.140 4.181 4.320 0.002 0.000 0.216 121 A C 2.537 180.210 177.584 0.149 0.000 1.186 121 A CA 1.135 53.093 52.037 -0.131 0.000 0.620 121 A CB -0.753 17.979 19.000 -0.446 0.000 0.822 121 A HN 0.120 nan 8.150 nan 0.000 0.443 122 V N 0.081 120.126 119.914 0.218 0.000 2.392 122 V HA -0.235 3.886 4.120 0.002 0.000 0.249 122 V C 2.505 178.722 176.094 0.205 0.000 1.059 122 V CA 2.400 64.871 62.300 0.284 0.000 1.051 122 V CB -0.666 31.331 31.823 0.289 0.000 0.658 122 V HN 0.618 nan 8.190 nan 0.000 0.455 123 E N -0.223 120.059 120.200 0.135 0.000 2.418 123 E HA -0.105 4.245 4.350 0.002 0.000 0.197 123 E C 1.680 178.320 176.600 0.067 0.000 1.026 123 E CA 0.565 57.016 56.400 0.085 0.000 0.862 123 E CB -0.021 29.695 29.700 0.026 0.000 0.799 123 E HN 0.323 nan 8.360 nan 0.000 0.518 124 K N -0.454 120.032 120.400 0.143 0.000 2.374 124 K HA 0.277 4.598 4.320 0.002 0.000 0.196 124 K C -0.152 176.722 176.600 0.457 0.000 1.023 124 K CA -0.087 56.324 56.287 0.206 0.000 1.103 124 K CB 0.261 32.851 32.500 0.149 0.000 0.848 124 K HN 0.114 nan 8.250 nan 0.000 0.528 125 I N 1.960 122.750 120.570 0.367 0.000 2.363 125 I HA -0.002 4.169 4.170 0.002 0.000 0.292 125 I C 0.205 176.559 176.117 0.396 0.000 1.075 125 I CA -0.362 61.095 61.300 0.261 0.000 1.333 125 I CB 0.454 38.510 38.000 0.093 0.000 1.415 125 I HN 0.026 nan 8.210 nan 0.000 0.502 126 D N 7.100 127.758 120.400 0.430 0.000 2.348 126 D HA 0.109 4.750 4.640 0.002 0.000 0.253 126 D C 0.539 176.845 176.300 0.011 0.000 1.161 126 D CA -0.037 53.982 54.000 0.033 0.000 0.876 126 D CB 1.373 41.994 40.800 -0.299 0.000 1.160 126 D HN 0.314 nan 8.370 nan 0.000 0.459 127 I N 3.052 123.601 120.570 -0.035 0.000 3.196 127 I HA 0.043 4.214 4.170 0.002 0.000 0.248 127 I C 2.362 178.446 176.117 -0.056 0.000 1.105 127 I CA 0.448 61.740 61.300 -0.013 0.000 1.482 127 I CB -1.392 36.623 38.000 0.025 0.000 1.400 127 I HN 0.533 nan 8.210 nan 0.000 0.464 128 G N 0.938 109.700 108.800 -0.063 0.000 2.422 128 G HA2 -0.185 3.776 3.960 0.002 0.000 0.218 128 G HA3 -0.185 3.776 3.960 0.002 0.000 0.218 128 G C 1.651 176.508 174.900 -0.071 0.000 1.146 128 G CA 0.975 46.054 45.100 -0.036 0.000 0.769 128 G HN 0.487 nan 8.290 nan 0.000 0.547 129 G N 0.349 109.041 108.800 -0.181 0.000 2.418 129 G HA2 -0.125 3.836 3.960 0.002 0.000 0.217 129 G HA3 -0.125 3.836 3.960 0.002 0.000 0.217 129 G C 1.768 176.569 174.900 -0.165 0.000 1.158 129 G CA 1.122 46.106 45.100 -0.193 0.000 0.771 129 G HN 0.315 nan 8.290 nan 0.000 0.545 130 V N 1.550 121.353 119.914 -0.185 0.000 2.343 130 V HA -0.150 3.971 4.120 0.002 0.000 0.247 130 V C 3.324 179.376 176.094 -0.069 0.000 1.051 130 V CA 2.033 64.239 62.300 -0.156 0.000 1.036 130 V CB -0.802 30.947 31.823 -0.123 0.000 0.654 130 V HN 0.474 nan 8.190 nan 0.000 0.451 131 A N -0.344 122.464 122.820 -0.020 0.000 1.933 131 A HA -0.143 4.178 4.320 0.002 0.000 0.218 131 A C 2.211 179.873 177.584 0.131 0.000 1.175 131 A CA 1.691 53.762 52.037 0.057 0.000 0.628 131 A CB -0.488 18.547 19.000 0.059 0.000 0.814 131 A HN 0.507 nan 8.150 nan 0.000 0.444 132 L N -0.733 120.529 121.223 0.065 0.000 2.017 132 L HA -0.195 4.146 4.340 0.002 0.000 0.208 132 L C 2.619 179.450 176.870 -0.066 0.000 1.073 132 L CA 1.200 56.021 54.840 -0.031 0.000 0.745 132 L CB -0.633 41.370 42.059 -0.094 0.000 0.894 132 L HN 0.378 nan 8.230 nan 0.000 0.432 133 L N -0.596 120.573 121.223 -0.091 0.000 2.017 133 L HA -0.214 4.127 4.340 0.002 0.000 0.208 133 L C 2.905 179.633 176.870 -0.237 0.000 1.073 133 L CA 1.401 56.155 54.840 -0.144 0.000 0.745 133 L CB -0.507 41.469 42.059 -0.138 0.000 0.894 133 L HN 0.227 nan 8.230 nan 0.000 0.432 134 R N -0.184 120.204 120.500 -0.186 0.000 2.081 134 R HA -0.117 4.224 4.340 0.002 0.000 0.235 134 R C 2.408 178.658 176.300 -0.084 0.000 1.131 134 R CA 1.259 57.234 56.100 -0.209 0.000 0.960 134 R CB -0.500 29.833 30.300 0.055 0.000 0.856 134 R HN 0.356 nan 8.270 nan 0.000 0.436 135 A N 1.480 124.303 122.820 0.006 0.000 1.877 135 A HA -0.088 4.233 4.320 0.002 0.000 0.216 135 A C 2.406 179.997 177.584 0.011 0.000 1.186 135 A CA 1.649 53.723 52.037 0.062 0.000 0.620 135 A CB -0.628 18.459 19.000 0.146 0.000 0.822 135 A HN 0.382 nan 8.150 nan 0.000 0.443 136 A N -0.192 122.599 122.820 -0.048 0.000 1.898 136 A HA 0.188 4.509 4.320 0.002 0.000 0.216 136 A C 2.501 180.060 177.584 -0.041 0.000 1.181 136 A CA 2.049 54.057 52.037 -0.048 0.000 0.620 136 A CB -1.008 17.950 19.000 -0.070 0.000 0.819 136 A HN 1.054 nan 8.150 nan 0.000 0.442 137 A N -0.155 122.561 122.820 -0.173 0.000 1.933 137 A HA -0.159 4.162 4.320 0.002 0.000 0.218 137 A C 2.123 179.806 177.584 0.164 0.000 1.175 137 A CA 1.989 53.899 52.037 -0.213 0.000 0.628 137 A CB -0.442 18.003 19.000 -0.925 0.000 0.814 137 A HN 0.581 nan 8.150 nan 0.000 0.444 138 K N -0.425 120.093 120.400 0.197 0.000 2.026 138 K HA -0.171 4.150 4.320 0.002 0.000 0.208 138 K C 0.943 177.675 176.600 0.221 0.000 1.048 138 K CA 1.607 58.118 56.287 0.373 0.000 0.929 138 K CB -0.171 32.500 32.500 0.285 0.000 0.713 138 K HN 0.371 nan 8.250 nan 0.000 0.439 139 N N 1.167 119.931 118.700 0.106 0.000 2.466 139 N HA -0.042 4.699 4.740 0.002 0.000 0.251 139 N C 0.679 176.175 175.510 -0.024 0.000 1.164 139 N CA -0.088 52.964 53.050 0.003 0.000 0.888 139 N CB -0.124 38.368 38.487 0.009 0.000 1.177 139 N HN 0.363 nan 8.380 nan 0.000 0.498 140 H N -1.812 117.282 119.070 0.040 0.000 2.543 140 H HA 0.025 4.582 4.556 0.001 0.000 0.286 140 H C 1.337 176.679 175.328 0.024 0.000 1.037 140 H CA 0.979 57.042 56.048 0.025 0.000 1.250 140 H CB -0.144 29.642 29.762 0.041 0.000 1.373 140 H HN 0.245 nan 8.280 nan 0.000 0.580 141 A N 1.401 124.005 122.820 -0.359 0.000 2.019 141 A HA -0.148 4.173 4.320 0.002 0.000 0.219 141 A C 2.539 180.085 177.584 -0.064 0.000 1.164 141 A CA 1.679 53.599 52.037 -0.195 0.000 0.644 141 A CB -0.464 18.418 19.000 -0.196 0.000 0.805 141 A HN 0.494 nan 8.150 nan 0.000 0.449 142 R N -1.928 118.543 120.500 -0.047 0.000 2.350 142 R HA 0.225 4.565 4.340 0.002 0.000 0.199 142 R C -0.553 175.745 176.300 -0.003 0.000 0.876 142 R CA 0.345 56.434 56.100 -0.018 0.000 1.062 142 R CB 0.627 30.915 30.300 -0.020 0.000 1.263 142 R HN 0.198 nan 8.270 nan 0.000 0.641 143 V N 2.047 121.963 119.914 0.003 0.000 2.509 143 V HA 0.266 4.387 4.120 0.002 0.000 0.284 143 V C -0.157 175.950 176.094 0.022 0.000 1.047 143 V CA -0.255 62.049 62.300 0.006 0.000 0.952 143 V CB 1.568 33.389 31.823 -0.004 0.000 0.988 143 V HN 0.149 nan 8.190 nan 0.000 0.469 144 T N 4.536 119.096 114.554 0.009 0.000 2.738 144 T HA 0.366 4.717 4.350 0.002 0.000 0.298 144 T C -0.374 174.332 174.700 0.011 0.000 0.962 144 T CA -0.025 62.083 62.100 0.014 0.000 0.972 144 T CB 1.165 70.047 68.868 0.023 0.000 0.928 144 T HN 0.481 nan 8.240 nan 0.000 0.474 145 V N 5.847 125.760 119.914 -0.002 0.000 2.398 145 V HA 0.642 4.763 4.120 0.002 0.000 0.286 145 V C -0.807 175.291 176.094 0.007 0.000 1.026 145 V CA -0.424 61.869 62.300 -0.011 0.000 0.868 145 V CB 1.326 33.116 31.823 -0.055 0.000 0.982 145 V HN 0.664 nan 8.190 nan 0.000 0.443 146 V N 6.954 126.902 119.914 0.056 0.000 2.380 146 V HA 0.244 4.365 4.120 0.002 0.000 0.286 146 V C 0.596 176.748 176.094 0.096 0.000 1.015 146 V CA -0.277 62.079 62.300 0.094 0.000 0.834 146 V CB 1.019 32.970 31.823 0.214 0.000 1.009 146 V HN 1.083 nan 8.190 nan 0.000 0.428 147 C N -0.010 119.302 119.300 0.019 0.000 3.038 147 C HA 0.449 4.910 4.460 0.002 0.000 0.279 147 C C 0.337 175.257 174.990 -0.116 0.000 1.276 147 C CA -0.134 58.869 59.018 -0.024 0.000 1.697 147 C CB -0.875 26.845 27.740 -0.033 0.000 2.032 147 C HN 0.757 nan 8.230 nan 0.000 0.636 148 D N 0.844 121.169 120.400 -0.125 0.000 2.542 148 D HA 0.403 5.044 4.640 0.002 0.000 0.252 148 D C -2.001 174.027 176.300 -0.454 0.000 1.222 148 D CA -1.826 52.032 54.000 -0.237 0.000 0.895 148 D CB 2.115 42.803 40.800 -0.188 0.000 1.207 148 D HN -0.150 nan 8.370 nan 0.000 0.558 149 P HA -0.122 nan 4.420 nan 0.000 0.218 149 P C 0.987 177.735 177.300 -0.921 0.000 1.146 149 P CA 1.263 63.524 63.100 -1.400 0.000 0.813 149 P CB 0.262 31.501 31.700 -0.768 0.000 0.778 150 A N -0.540 121.996 122.820 -0.473 0.000 2.125 150 A HA -0.185 4.136 4.320 0.002 0.000 0.219 150 A C 1.766 179.212 177.584 -0.230 0.000 1.156 150 A CA 1.666 53.533 52.037 -0.282 0.000 0.671 150 A CB -0.932 17.959 19.000 -0.182 0.000 0.794 150 A HN 0.122 nan 8.150 nan 0.000 0.459 151 D N -1.801 118.442 120.400 -0.262 0.000 2.354 151 D HA 0.010 4.651 4.640 0.002 0.000 0.209 151 D C 1.120 177.323 176.300 -0.163 0.000 1.015 151 D CA 0.201 54.116 54.000 -0.142 0.000 0.867 151 D CB -0.139 40.614 40.800 -0.078 0.000 0.933 151 D HN 0.437 nan 8.370 nan 0.000 0.520 152 Y N 1.852 121.861 120.300 -0.486 0.000 2.053 152 Y HA -0.200 4.351 4.550 0.001 0.000 0.277 152 Y C 2.727 178.338 175.900 -0.481 0.000 1.159 152 Y CA 0.435 57.992 58.100 -0.904 0.000 1.125 152 Y CB -1.184 36.817 38.460 -0.766 0.000 0.969 152 Y HN -0.070 nan 8.280 nan 0.000 0.492 153 S N -0.128 115.541 115.700 -0.052 0.000 2.370 153 S HA -0.200 4.271 4.470 0.002 0.000 0.226 153 S C 2.317 176.923 174.600 0.011 0.000 1.033 153 S CA 1.622 59.825 58.200 0.004 0.000 1.011 153 S CB -0.540 62.664 63.200 0.008 0.000 0.852 153 S HN 0.676 nan 8.310 nan 0.000 0.457 154 S N 1.276 116.970 115.700 -0.009 0.000 2.355 154 S HA -0.051 4.420 4.470 0.002 0.000 0.222 154 S C 1.904 176.522 174.600 0.030 0.000 1.031 154 S CA 1.210 59.419 58.200 0.014 0.000 0.993 154 S CB -0.828 62.383 63.200 0.019 0.000 0.859 154 S HN 0.292 nan 8.310 nan 0.000 0.453 155 V N 2.764 122.687 119.914 0.014 0.000 2.343 155 V HA -0.125 3.996 4.120 0.002 0.000 0.247 155 V C 3.139 179.328 176.094 0.158 0.000 1.051 155 V CA 1.682 64.022 62.300 0.067 0.000 1.036 155 V CB -1.548 30.313 31.823 0.064 0.000 0.654 155 V HN 0.674 nan 8.190 nan 0.000 0.451 156 A N -0.189 122.759 122.820 0.213 0.000 1.902 156 A HA -0.256 4.065 4.320 0.002 0.000 0.217 156 A C 2.355 180.011 177.584 0.120 0.000 1.181 156 A CA 2.131 54.316 52.037 0.247 0.000 0.623 156 A CB -0.489 18.686 19.000 0.292 0.000 0.818 156 A HN 0.522 nan 8.150 nan 0.000 0.443 157 K N 0.335 120.787 120.400 0.087 0.000 2.057 157 K HA -0.158 4.163 4.320 0.002 0.000 0.207 157 K C 1.241 177.869 176.600 0.048 0.000 1.049 157 K CA 1.259 57.580 56.287 0.057 0.000 0.931 157 K CB -0.155 32.371 32.500 0.044 0.000 0.714 157 K HN 0.676 nan 8.250 nan 0.000 0.440 161 A N 0.418 123.250 122.820 0.020 0.000 2.307 161 A HA 0.540 4.861 4.320 0.002 0.000 0.218 161 A C 1.111 178.704 177.584 0.015 0.000 1.228 161 A CA 1.073 53.120 52.037 0.017 0.000 0.857 161 A CB -0.490 18.522 19.000 0.019 0.000 0.897 161 A HN 1.230 nan 8.150 nan 0.000 0.495 162 S N -0.612 115.097 115.700 0.015 0.000 2.525 162 S HA 0.481 4.951 4.470 0.002 0.000 0.278 162 S C 1.361 175.966 174.600 0.009 0.000 1.234 162 S CA 0.373 58.581 58.200 0.013 0.000 1.058 162 S CB 1.350 64.559 63.200 0.014 0.000 0.983 162 S HN 0.573 nan 8.310 nan 0.000 0.495 163 K N 2.567 122.972 120.400 0.008 0.000 2.211 163 K HA -0.089 4.232 4.320 0.002 0.000 0.204 163 K C 0.711 177.313 176.600 0.004 0.000 1.047 163 K CA 2.102 58.393 56.287 0.006 0.000 0.935 163 K CB -0.928 31.576 32.500 0.006 0.000 0.728 163 K HN 0.883 nan 8.250 nan 0.000 0.452 164 D N -0.688 119.715 120.400 0.004 0.000 2.440 164 D HA 0.164 4.804 4.640 0.002 0.000 0.216 164 D C -0.516 175.783 176.300 -0.001 0.000 1.150 164 D CA -0.241 53.760 54.000 0.001 0.000 0.832 164 D CB 0.555 41.356 40.800 0.002 0.000 0.992 164 D HN 0.486 nan 8.370 nan 0.000 0.502 165 K N 0.357 120.757 120.400 -0.000 0.000 3.077 165 K HA -0.210 4.111 4.320 0.002 0.000 0.264 165 K C -0.560 176.038 176.600 -0.004 0.000 1.008 165 K CA 0.689 56.974 56.287 -0.003 0.000 0.740 165 K CB -1.064 31.429 32.500 -0.011 0.000 1.273 165 K HN 0.246 nan 8.250 nan 0.000 0.477 166 D N -0.886 119.516 120.400 0.003 0.000 2.570 166 D HA 0.304 4.945 4.640 0.002 0.000 0.244 166 D C -0.244 176.064 176.300 0.014 0.000 1.178 166 D CA -0.138 53.865 54.000 0.005 0.000 0.881 166 D CB 1.391 42.192 40.800 0.002 0.000 1.453 166 D HN 0.085 nan 8.370 nan 0.000 0.447 167 T N -1.117 113.447 114.554 0.017 0.000 2.754 167 T HA 0.549 4.900 4.350 0.002 0.000 0.286 167 T C 0.571 175.284 174.700 0.020 0.000 0.997 167 T CA -0.666 61.447 62.100 0.021 0.000 0.982 167 T CB 0.678 69.557 68.868 0.017 0.000 1.027 167 T HN 0.368 nan 8.240 nan 0.000 0.529 168 S N -0.199 115.515 115.700 0.023 0.000 2.652 168 S HA 0.319 4.790 4.470 0.002 0.000 0.270 168 S C 1.317 175.939 174.600 0.035 0.000 1.243 168 S CA -0.878 57.339 58.200 0.028 0.000 0.999 168 S CB 1.051 64.270 63.200 0.032 0.000 0.973 168 S HN 0.505 nan 8.310 nan 0.000 0.544 169 V N 1.304 121.244 119.914 0.043 0.000 2.332 169 V HA -0.169 3.952 4.120 0.002 0.000 0.248 169 V C 2.776 178.915 176.094 0.075 0.000 1.055 169 V CA 2.471 64.809 62.300 0.064 0.000 1.038 169 V CB -1.120 30.739 31.823 0.061 0.000 0.651 169 V HN 1.056 nan 8.190 nan 0.000 0.450 170 E N -0.396 119.841 120.200 0.062 0.000 2.085 170 E HA -0.226 4.125 4.350 0.002 0.000 0.194 170 E C 2.223 178.863 176.600 0.067 0.000 0.994 170 E CA 1.968 58.409 56.400 0.069 0.000 0.801 170 E CB -0.175 29.563 29.700 0.064 0.000 0.743 170 E HN 0.600 nan 8.360 nan 0.000 0.453 171 T N 0.212 114.789 114.554 0.037 0.000 2.777 171 T HA -0.090 4.260 4.350 0.002 0.000 0.266 171 T C 1.745 176.373 174.700 -0.120 0.000 1.040 171 T CA 1.106 63.187 62.100 -0.033 0.000 1.141 171 T CB -0.146 68.703 68.868 -0.031 0.000 0.868 171 T HN 0.168 nan 8.240 nan 0.000 0.444 172 R N 0.690 121.174 120.500 -0.027 0.000 2.120 172 R HA 0.017 4.357 4.340 0.002 0.000 0.234 172 R C 2.678 178.977 176.300 -0.001 0.000 1.123 172 R CA 1.019 57.119 56.100 0.000 0.000 0.975 172 R CB -0.171 30.179 30.300 0.082 0.000 0.866 172 R HN 0.364 nan 8.270 nan 0.000 0.446 173 R N -0.372 120.142 120.500 0.024 0.000 2.066 173 R HA -0.142 4.198 4.340 0.002 0.000 0.232 173 R C 2.435 178.725 176.300 -0.018 0.000 1.131 173 R CA 1.733 57.803 56.100 -0.049 0.000 0.955 173 R CB -0.524 29.795 30.300 0.032 0.000 0.851 173 R HN 0.539 nan 8.270 nan 0.000 0.432 174 H N 0.528 119.584 119.070 -0.023 0.000 2.423 174 H HA -0.035 4.522 4.556 0.001 0.000 0.297 174 H C 1.902 177.220 175.328 -0.017 0.000 1.075 174 H CA 1.080 57.119 56.048 -0.016 0.000 1.342 174 H CB -0.000 29.759 29.762 -0.005 0.000 1.395 174 H HN 0.155 nan 8.280 nan 0.000 0.530 175 L N 0.763 121.834 121.223 -0.252 0.000 2.093 175 L HA -0.064 4.277 4.340 0.002 0.000 0.208 175 L C 3.151 179.989 176.870 -0.054 0.000 1.085 175 L CA 0.823 55.551 54.840 -0.187 0.000 0.755 175 L CB -0.465 41.451 42.059 -0.238 0.000 0.904 175 L HN 0.407 nan 8.230 nan 0.000 0.435 176 A N 0.036 122.815 122.820 -0.068 0.000 1.930 176 A HA -0.205 4.116 4.320 0.002 0.000 0.217 176 A C 2.183 179.786 177.584 0.032 0.000 1.175 176 A CA 1.439 53.432 52.037 -0.073 0.000 0.627 176 A CB -0.582 18.310 19.000 -0.180 0.000 0.815 176 A HN 0.322 nan 8.150 nan 0.000 0.443 177 L N 0.178 121.434 121.223 0.056 0.000 2.017 177 L HA -0.135 4.206 4.340 0.002 0.000 0.208 177 L C 2.241 179.191 176.870 0.134 0.000 1.073 177 L CA 2.737 57.649 54.840 0.120 0.000 0.745 177 L CB -0.652 41.460 42.059 0.088 0.000 0.894 177 L HN 0.453 nan 8.230 nan 0.000 0.432 178 K N -0.667 119.802 120.400 0.115 0.000 2.057 178 K HA -0.160 4.161 4.320 0.002 0.000 0.207 178 K C 1.986 178.643 176.600 0.095 0.000 1.049 178 K CA 1.345 57.692 56.287 0.100 0.000 0.931 178 K CB -0.258 32.299 32.500 0.095 0.000 0.714 178 K HN 0.467 nan 8.250 nan 0.000 0.440 179 A N 0.624 123.467 122.820 0.038 0.000 1.858 179 A HA -0.139 4.182 4.320 0.002 0.000 0.216 179 A C 1.921 179.511 177.584 0.010 0.000 1.190 179 A CA 1.390 53.417 52.037 -0.018 0.000 0.617 179 A CB -0.837 18.057 19.000 -0.178 0.000 0.827 179 A HN 0.362 nan 8.150 nan 0.000 0.443 180 F N 0.715 120.696 119.950 0.053 0.000 2.234 180 F HA -0.083 4.445 4.527 0.002 0.000 0.299 180 F C 2.698 178.530 175.800 0.054 0.000 1.087 180 F CA 1.649 59.674 58.000 0.041 0.000 1.340 180 F CB -0.904 38.112 39.000 0.026 0.000 1.031 180 F HN 0.149 nan 8.300 nan 0.000 0.500 181 T N -2.073 112.632 114.554 0.252 0.000 2.821 181 T HA -0.221 4.130 4.350 0.002 0.000 0.267 181 T C 1.782 176.600 174.700 0.197 0.000 1.046 181 T CA 1.672 63.882 62.100 0.183 0.000 1.139 181 T CB -0.399 68.553 68.868 0.140 0.000 0.871 181 T HN 0.281 nan 8.240 nan 0.000 0.454 182 H N 1.559 120.677 119.070 0.080 0.000 2.357 182 H HA -0.055 4.502 4.556 0.001 0.000 0.301 182 H C 2.411 177.789 175.328 0.084 0.000 1.082 182 H CA 2.088 58.172 56.048 0.060 0.000 1.342 182 H CB -0.555 29.211 29.762 0.006 0.000 1.389 182 H HN 0.418 nan 8.280 nan 0.000 0.511 183 T N -2.345 112.181 114.554 -0.048 0.000 2.904 183 T HA 0.041 4.392 4.350 0.002 0.000 0.267 183 T C 2.267 177.005 174.700 0.063 0.000 1.059 183 T CA 0.998 63.053 62.100 -0.076 0.000 1.137 183 T CB -0.728 68.140 68.868 0.001 0.000 0.879 183 T HN 0.372 nan 8.240 nan 0.000 0.467 184 A N 1.948 124.835 122.820 0.112 0.000 1.877 184 A HA -0.132 4.189 4.320 0.002 0.000 0.216 184 A C 2.489 180.131 177.584 0.097 0.000 1.186 184 A CA 1.638 53.739 52.037 0.107 0.000 0.620 184 A CB -0.860 18.206 19.000 0.111 0.000 0.822 184 A HN 0.635 nan 8.150 nan 0.000 0.443 185 Q N -2.208 117.660 119.800 0.113 0.000 2.124 185 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 185 Q C 1.990 178.066 176.000 0.125 0.000 0.977 185 Q CA 1.626 57.502 55.803 0.122 0.000 0.850 185 Q CB -0.320 28.514 28.738 0.160 0.000 0.901 185 Q HN 0.805 nan 8.270 nan 0.000 0.429 186 Y N 1.924 122.188 120.300 -0.060 0.000 2.114 186 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 186 Y C 1.635 177.482 175.900 -0.088 0.000 1.143 186 Y CA 1.821 59.865 58.100 -0.092 0.000 1.135 186 Y CB -0.041 38.285 38.460 -0.223 0.000 0.980 186 Y HN 0.071 nan 8.280 nan 0.000 0.499 187 D N -0.506 119.910 120.400 0.027 0.000 2.224 187 D HA -0.070 4.571 4.640 0.002 0.000 0.205 187 D C 2.145 178.416 176.300 -0.047 0.000 0.965 187 D CA 1.084 55.051 54.000 -0.056 0.000 0.852 187 D CB -0.376 40.435 40.800 0.018 0.000 0.947 187 D HN 0.445 nan 8.370 nan 0.000 0.494 188 A N 0.714 123.533 122.820 -0.000 0.000 1.930 188 A HA 0.019 4.340 4.320 0.002 0.000 0.217 188 A C 2.259 179.837 177.584 -0.009 0.000 1.175 188 A CA 1.797 53.840 52.037 0.011 0.000 0.627 188 A CB -0.562 18.466 19.000 0.047 0.000 0.815 188 A HN 0.218 nan 8.150 nan 0.000 0.443 189 A N -0.125 122.690 122.820 -0.008 0.000 1.930 189 A HA -0.006 4.315 4.320 0.002 0.000 0.217 189 A C 2.093 179.727 177.584 0.083 0.000 1.175 189 A CA 1.367 53.429 52.037 0.043 0.000 0.627 189 A CB -0.525 18.529 19.000 0.090 0.000 0.815 189 A HN 0.485 nan 8.150 nan 0.000 0.443 190 I N -0.299 120.180 120.570 -0.152 0.000 2.202 190 I HA -0.204 3.967 4.170 0.002 0.000 0.242 190 I C 2.613 178.772 176.117 0.070 0.000 1.091 190 I CA 1.452 62.595 61.300 -0.262 0.000 1.368 190 I CB -0.283 37.400 38.000 -0.528 0.000 1.058 190 I HN 0.218 nan 8.210 nan 0.000 0.410 191 S N 0.169 115.894 115.700 0.041 0.000 2.382 191 S HA -0.223 4.248 4.470 0.002 0.000 0.228 191 S C 1.644 176.247 174.600 0.005 0.000 1.027 191 S CA 1.586 59.829 58.200 0.072 0.000 0.991 191 S CB -0.336 62.875 63.200 0.018 0.000 0.823 191 S HN 0.466 nan 8.310 nan 0.000 0.469 192 D N 0.356 120.724 120.400 -0.053 0.000 2.117 192 D HA -0.146 4.494 4.640 0.002 0.000 0.197 192 D C 1.732 177.984 176.300 -0.081 0.000 0.987 192 D CA 1.024 54.939 54.000 -0.142 0.000 0.829 192 D CB -0.284 40.439 40.800 -0.129 0.000 0.961 192 D HN 0.426 nan 8.370 nan 0.000 0.460 193 Y N -0.068 120.142 120.300 -0.149 0.000 2.097 193 Y HA -0.193 4.358 4.550 0.001 0.000 0.282 193 Y C 1.896 177.579 175.900 -0.361 0.000 1.152 193 Y CA 1.685 59.631 58.100 -0.257 0.000 1.136 193 Y CB -0.684 37.616 38.460 -0.267 0.000 0.975 193 Y HN -0.061 nan 8.280 nan 0.000 0.498 194 F N 0.062 119.864 119.950 -0.248 0.000 2.293 194 F HA -0.045 4.483 4.527 0.001 0.000 0.300 194 F C 2.646 178.219 175.800 -0.379 0.000 1.086 194 F CA 1.484 59.170 58.000 -0.524 0.000 1.375 194 F CB -0.624 38.200 39.000 -0.294 0.000 1.045 194 F HN -0.029 nan 8.300 nan 0.000 0.516 195 R N 0.612 121.072 120.500 -0.067 0.000 2.075 195 R HA -0.118 4.223 4.340 0.002 0.000 0.232 195 R C 2.093 178.337 176.300 -0.093 0.000 1.126 195 R CA 1.390 57.459 56.100 -0.052 0.000 0.963 195 R CB -0.056 30.187 30.300 -0.096 0.000 0.858 195 R HN 0.147 nan 8.270 nan 0.000 0.435 196 K N -0.262 120.033 120.400 -0.174 0.000 2.155 196 K HA -0.077 4.244 4.320 0.002 0.000 0.203 196 K C 1.893 178.373 176.600 -0.199 0.000 1.052 196 K CA 0.957 57.147 56.287 -0.162 0.000 0.948 196 K CB 0.144 32.544 32.500 -0.168 0.000 0.728 196 K HN 0.144 nan 8.250 nan 0.000 0.448 197 E N -0.262 119.713 120.200 -0.376 0.000 2.112 197 E HA -0.084 4.267 4.350 0.002 0.000 0.190 197 E C 1.437 178.044 176.600 0.012 0.000 0.979 197 E CA 1.208 57.397 56.400 -0.353 0.000 0.814 197 E CB 0.157 29.372 29.700 -0.808 0.000 0.762 197 E HN 0.365 nan 8.360 nan 0.000 0.460 198 Y N -0.956 119.324 120.300 -0.034 0.000 2.444 198 Y HA 0.280 4.830 4.550 0.001 0.000 0.252 198 Y C 1.763 177.657 175.900 -0.009 0.000 1.091 198 Y CA -0.396 57.705 58.100 0.001 0.000 1.276 198 Y CB 0.313 38.796 38.460 0.038 0.000 1.170 198 Y HN -0.160 nan 8.280 nan 0.000 0.517 199 S N 0.196 115.974 115.700 0.131 0.000 2.664 199 S HA 0.131 4.602 4.470 0.002 0.000 0.245 199 S C 0.367 174.987 174.600 0.033 0.000 1.019 199 S CA -0.472 57.772 58.200 0.073 0.000 0.996 199 S CB -0.280 62.959 63.200 0.065 0.000 0.878 199 S HN 0.158 nan 8.310 nan 0.000 0.493 200 K N 0.831 121.244 120.400 0.023 0.000 2.472 200 K HA 0.228 4.549 4.320 0.002 0.000 0.280 200 K C 1.142 177.743 176.600 0.002 0.000 1.028 200 K CA 1.253 57.543 56.287 0.005 0.000 1.045 200 K CB -0.092 32.407 32.500 -0.002 0.000 0.902 200 K HN 0.360 nan 8.250 nan 0.000 0.478 201 G N 2.203 111.000 108.800 -0.006 0.000 2.184 201 G HA2 -0.264 3.697 3.960 0.002 0.000 0.264 201 G HA3 -0.264 3.697 3.960 0.002 0.000 0.264 201 G C 0.446 175.336 174.900 -0.017 0.000 0.975 201 G CA 0.412 45.502 45.100 -0.016 0.000 0.642 201 G HN 0.470 nan 8.290 nan 0.000 0.536 202 V N 0.435 120.346 119.914 -0.005 0.000 3.204 202 V HA 0.286 4.407 4.120 0.002 0.000 0.218 202 V C 2.315 178.408 176.094 -0.003 0.000 1.159 202 V CA 2.194 64.492 62.300 -0.004 0.000 1.282 202 V CB 0.292 32.121 31.823 0.010 0.000 1.225 202 V HN 0.931 nan 8.190 nan 0.000 0.509 203 S N -1.250 114.461 115.700 0.018 0.000 2.559 203 S HA 0.254 4.725 4.470 0.002 0.000 0.226 203 S C 0.420 175.059 174.600 0.064 0.000 1.000 203 S CA -0.153 58.068 58.200 0.035 0.000 0.948 203 S CB 0.408 63.640 63.200 0.053 0.000 0.870 203 S HN 0.446 nan 8.310 nan 0.000 0.497 204 Q N 0.588 120.415 119.800 0.044 0.000 2.359 204 Q HA 0.609 4.950 4.340 0.002 0.000 0.274 204 Q C -2.388 173.628 176.000 0.027 0.000 1.074 204 Q CA -0.724 55.117 55.803 0.062 0.000 0.810 204 Q CB 2.210 30.968 28.738 0.033 0.000 1.342 204 Q HN 0.377 nan 8.270 nan 0.000 0.427 205 L N 5.113 126.355 121.223 0.032 0.000 2.457 205 L HA 0.506 4.847 4.340 0.002 0.000 0.266 205 L C -2.586 174.289 176.870 0.009 0.000 0.979 205 L CA -1.430 53.410 54.840 0.000 0.000 0.857 205 L CB 2.053 44.094 42.059 -0.030 0.000 1.213 205 L HN 0.439 nan 8.230 nan 0.000 0.418 206 P HA 0.294 nan 4.420 nan 0.000 0.271 206 P C -1.070 176.228 177.300 -0.005 0.000 1.216 206 P CA 0.037 63.141 63.100 0.007 0.000 0.776 206 P CB 0.625 32.323 31.700 -0.002 0.000 0.881 207 L N 2.989 124.216 121.223 0.007 0.000 2.354 207 L HA 0.472 4.813 4.340 0.002 0.000 0.269 207 L C 1.936 178.777 176.870 -0.049 0.000 1.005 207 L CA -0.914 53.911 54.840 -0.025 0.000 0.819 207 L CB 2.102 44.175 42.059 0.022 0.000 1.311 207 L HN 0.390 nan 8.230 nan 0.000 0.423 208 R N 1.586 121.997 120.500 -0.148 0.000 2.103 208 R HA -0.117 4.224 4.340 0.002 0.000 0.242 208 R C -0.317 175.966 176.300 -0.028 0.000 1.142 208 R CA 1.566 57.577 56.100 -0.149 0.000 0.960 208 R CB -0.468 29.642 30.300 -0.317 0.000 0.858 208 R HN 0.625 nan 8.270 nan 0.000 0.439 209 Y N -3.441 116.879 120.300 0.032 0.000 2.925 209 Y HA 0.608 5.159 4.550 0.001 0.000 0.349 209 Y C -0.217 175.673 175.900 -0.017 0.000 1.342 209 Y CA -1.373 56.723 58.100 -0.007 0.000 1.093 209 Y CB 0.094 38.534 38.460 -0.032 0.000 1.571 209 Y HN 0.008 nan 8.280 nan 0.000 0.438 213 P HA -0.194 nan 4.420 nan 0.000 0.217 213 P C 1.072 178.111 177.300 -0.435 0.000 1.151 213 P CA 1.603 64.057 63.100 -1.076 0.000 0.849 213 P CB -0.145 31.188 31.700 -0.612 0.000 0.787 214 H N -1.581 117.336 119.070 -0.254 0.000 2.556 214 H HA 0.109 4.666 4.556 0.001 0.000 0.268 214 H C 0.112 175.392 175.328 -0.080 0.000 0.996 214 H CA 0.347 56.318 56.048 -0.128 0.000 1.157 214 H CB -0.603 29.104 29.762 -0.093 0.000 1.355 214 H HN 0.235 nan 8.280 nan 0.000 0.597 215 Q N 1.501 121.020 119.800 -0.469 0.000 2.465 215 Q HA 0.402 4.742 4.340 0.002 0.000 0.237 215 Q C -0.788 175.154 176.000 -0.098 0.000 1.051 215 Q CA -0.406 55.215 55.803 -0.302 0.000 0.874 215 Q CB 1.604 30.102 28.738 -0.401 0.000 1.207 215 Q HN 0.176 nan 8.270 nan 0.000 0.508 216 S N 2.131 117.812 115.700 -0.032 0.000 2.564 216 S HA 0.712 5.183 4.470 0.002 0.000 0.274 216 S C -2.369 172.244 174.600 0.021 0.000 1.124 216 S CA -1.072 57.145 58.200 0.029 0.000 0.869 216 S CB 1.109 64.349 63.200 0.066 0.000 1.105 216 S HN 0.528 nan 8.310 nan 0.000 0.472 217 P HA 0.815 nan 4.420 nan 0.000 0.279 217 P C -1.320 176.016 177.300 0.061 0.000 1.276 217 P CA -0.602 62.527 63.100 0.049 0.000 0.801 217 P CB 1.102 32.827 31.700 0.041 0.000 1.127 218 A N 0.037 122.907 122.820 0.084 0.000 2.587 218 A HA 0.682 5.003 4.320 0.002 0.000 0.293 218 A C -1.226 176.440 177.584 0.137 0.000 1.087 218 A CA -0.521 51.597 52.037 0.135 0.000 0.692 218 A CB 1.908 21.012 19.000 0.173 0.000 1.291 218 A HN 0.798 nan 8.150 nan 0.000 0.407 219 Q N -0.320 119.586 119.800 0.177 0.000 2.633 219 Q HA 0.710 5.051 4.340 0.002 0.000 0.289 219 Q C -2.094 173.977 176.000 0.118 0.000 0.940 219 Q CA -0.863 55.022 55.803 0.135 0.000 0.785 219 Q CB 1.407 30.234 28.738 0.148 0.000 1.467 219 Q HN 1.160 nan 8.270 nan 0.000 0.401 220 L N 2.052 123.312 121.223 0.062 0.000 2.365 220 L HA 0.815 5.156 4.340 0.002 0.000 0.273 220 L C -1.741 175.175 176.870 0.076 0.000 1.000 220 L CA -0.333 54.487 54.840 -0.032 0.000 0.819 220 L CB 1.788 43.780 42.059 -0.112 0.000 1.284 220 L HN 0.768 nan 8.230 nan 0.000 0.418 221 Y N 0.892 121.166 120.300 -0.043 0.000 2.670 221 Y HA 0.822 5.373 4.550 0.002 0.000 0.334 221 Y C -1.192 174.693 175.900 -0.026 0.000 1.185 221 Y CA -0.891 57.191 58.100 -0.030 0.000 1.053 221 Y CB 1.358 39.813 38.460 -0.007 0.000 1.298 221 Y HN 0.679 nan 8.280 nan 0.000 0.459 222 T N -0.181 114.524 114.554 0.252 0.000 2.903 222 T HA 0.382 4.733 4.350 0.002 0.000 0.299 222 T C 0.290 175.138 174.700 0.247 0.000 1.093 222 T CA -0.037 62.155 62.100 0.153 0.000 1.002 222 T CB 1.298 70.195 68.868 0.047 0.000 1.127 222 T HN 1.066 nan 8.240 nan 0.000 0.488 223 T N 1.017 115.691 114.554 0.200 0.000 3.129 223 T HA 0.310 4.661 4.350 0.002 0.000 0.251 223 T C 0.828 175.591 174.700 0.104 0.000 1.117 223 T CA -0.052 62.143 62.100 0.159 0.000 1.034 223 T CB -0.109 68.845 68.868 0.144 0.000 0.968 223 T HN 0.448 nan 8.240 nan 0.000 0.526 224 R N 1.285 121.844 120.500 0.099 0.000 2.546 224 R HA 0.327 4.668 4.340 0.002 0.000 0.266 224 R C -1.706 174.631 176.300 0.062 0.000 1.086 224 R CA -2.167 53.980 56.100 0.079 0.000 1.160 224 R CB 0.007 30.364 30.300 0.095 0.000 1.138 224 R HN -0.041 nan 8.270 nan 0.000 0.567 225 P HA -0.150 nan 4.420 nan 0.000 0.218 225 P C -0.381 176.935 177.300 0.026 0.000 1.148 225 P CA 1.546 64.666 63.100 0.034 0.000 0.822 225 P CB 0.318 32.033 31.700 0.025 0.000 0.784 226 K N -1.090 119.322 120.400 0.020 0.000 2.546 226 K HA 0.294 4.615 4.320 0.002 0.000 0.264 226 K C -1.142 175.436 176.600 -0.036 0.000 0.937 226 K CA -0.791 55.493 56.287 -0.004 0.000 0.833 226 K CB 1.238 33.731 32.500 -0.013 0.000 1.378 226 K HN -0.181 nan 8.250 nan 0.000 0.432 227 L N 4.747 125.931 121.223 -0.065 0.000 2.416 227 L HA 0.196 4.536 4.340 0.002 0.000 0.272 227 L C -1.240 175.511 176.870 -0.200 0.000 1.161 227 L CA -1.252 53.505 54.840 -0.139 0.000 0.845 227 L CB 0.836 42.819 42.059 -0.126 0.000 1.119 227 L HN 0.619 nan 8.230 nan 0.000 0.464 228 P HA -0.014 nan 4.420 nan 0.000 0.241 228 P C -0.160 176.933 177.300 -0.345 0.000 1.191 228 P CA 0.346 63.217 63.100 -0.382 0.000 0.771 228 P CB 0.446 31.686 31.700 -0.766 0.000 0.929 229 L N 1.380 122.413 121.223 -0.317 0.000 2.313 229 L HA 0.468 4.809 4.340 0.002 0.000 0.283 229 L C -0.219 176.544 176.870 -0.179 0.000 1.013 229 L CA -0.314 54.366 54.840 -0.268 0.000 0.816 229 L CB 1.641 43.533 42.059 -0.279 0.000 1.236 229 L HN -0.156 nan 8.230 nan 0.000 0.419 230 T N 1.713 116.182 114.554 -0.142 0.000 2.887 230 T HA 0.670 5.021 4.350 0.002 0.000 0.288 230 T C -0.502 174.149 174.700 -0.081 0.000 1.021 230 T CA -0.818 61.223 62.100 -0.098 0.000 1.000 230 T CB 1.543 70.364 68.868 -0.078 0.000 1.034 230 T HN 0.268 nan 8.240 nan 0.000 0.467 231 V N 3.795 123.665 119.914 -0.073 0.000 2.408 231 V HA 0.170 4.291 4.120 0.002 0.000 0.267 231 V C 1.110 177.159 176.094 -0.075 0.000 1.047 231 V CA -0.325 61.931 62.300 -0.073 0.000 0.937 231 V CB 0.860 32.642 31.823 -0.067 0.000 0.999 231 V HN 0.933 nan 8.190 nan 0.000 0.472 232 V N 4.042 123.898 119.914 -0.097 0.000 2.825 232 V HA 0.165 4.286 4.120 0.002 0.000 0.246 232 V C 0.649 176.672 176.094 -0.119 0.000 1.068 232 V CA 0.820 63.051 62.300 -0.114 0.000 1.088 232 V CB -0.201 31.517 31.823 -0.175 0.000 0.733 232 V HN 0.927 nan 8.190 nan 0.000 0.468 233 N N -1.621 117.002 118.700 -0.127 0.000 2.405 233 N HA 0.531 5.271 4.740 0.002 0.000 0.274 233 N C -0.128 175.325 175.510 -0.095 0.000 1.170 233 N CA 0.633 53.623 53.050 -0.101 0.000 0.848 233 N CB 1.919 40.343 38.487 -0.104 0.000 1.629 233 N HN 0.372 nan 8.380 nan 0.000 0.481 234 G N 0.825 109.587 108.800 -0.064 0.000 2.598 234 G HA2 -0.009 3.952 3.960 0.002 0.000 0.244 234 G HA3 -0.009 3.952 3.960 0.002 0.000 0.244 234 G C -1.026 173.840 174.900 -0.058 0.000 1.302 234 G CA 0.005 45.070 45.100 -0.058 0.000 0.903 234 G HN 1.733 nan 8.290 nan 0.000 0.575 235 S N 0.134 115.801 115.700 -0.056 0.000 2.689 235 S HA 0.689 5.160 4.470 0.002 0.000 0.274 235 S C -2.376 172.190 174.600 -0.055 0.000 1.176 235 S CA -0.129 58.039 58.200 -0.054 0.000 1.014 235 S CB 2.856 66.027 63.200 -0.048 0.000 1.071 235 S HN 0.989 nan 8.310 nan 0.000 0.478 236 P HA 0.425 nan 4.420 nan 0.000 0.271 236 P C 0.423 177.677 177.300 -0.078 0.000 1.218 236 P CA 0.055 63.126 63.100 -0.049 0.000 0.780 236 P CB 0.785 32.445 31.700 -0.067 0.000 0.901 237 G N 0.450 109.207 108.800 -0.071 0.000 2.552 237 G HA2 0.282 4.243 3.960 0.002 0.000 0.318 237 G HA3 0.282 4.243 3.960 0.002 0.000 0.318 237 G C 0.123 175.007 174.900 -0.028 0.000 1.240 237 G CA -0.742 44.305 45.100 -0.089 0.000 1.002 237 G HN 0.404 nan 8.290 nan 0.000 0.493 238 F N -0.195 119.684 119.950 -0.118 0.000 2.075 238 F HA -0.036 4.492 4.527 0.001 0.000 0.297 238 F C 2.511 178.277 175.800 -0.057 0.000 1.113 238 F CA 1.523 59.483 58.000 -0.066 0.000 1.218 238 F CB -0.034 38.958 39.000 -0.013 0.000 0.984 238 F HN 0.234 nan 8.300 nan 0.000 0.472 239 I N 0.142 120.870 120.570 0.264 0.000 2.394 239 I HA -0.317 3.854 4.170 0.002 0.000 0.251 239 I C 1.923 178.015 176.117 -0.042 0.000 1.136 239 I CA 1.475 62.865 61.300 0.149 0.000 1.425 239 I CB -0.754 37.350 38.000 0.174 0.000 1.079 239 I HN 0.263 nan 8.210 nan 0.000 0.425 240 N N 0.924 119.575 118.700 -0.081 0.000 2.104 240 N HA -0.192 4.549 4.740 0.002 0.000 0.190 240 N C 1.907 177.065 175.510 -0.587 0.000 1.024 240 N CA 1.128 54.021 53.050 -0.262 0.000 0.853 240 N CB -0.094 38.331 38.487 -0.102 0.000 1.008 240 N HN 0.278 nan 8.380 nan 0.000 0.424 241 L N 0.158 121.138 121.223 -0.405 0.000 2.109 241 L HA -0.135 4.206 4.340 0.002 0.000 0.207 241 L C 2.352 178.991 176.870 -0.386 0.000 1.086 241 L CA 0.594 55.176 54.840 -0.430 0.000 0.760 241 L CB -0.371 41.459 42.059 -0.382 0.000 0.910 241 L HN 0.378 nan 8.230 nan 0.000 0.437 242 C N -0.216 118.899 119.300 -0.309 0.000 2.429 242 C HA -0.153 4.307 4.460 0.002 0.000 0.277 242 C C 2.472 177.377 174.990 -0.143 0.000 1.262 242 C CA 0.503 59.416 59.018 -0.175 0.000 1.733 242 C CB -0.692 27.023 27.740 -0.042 0.000 2.010 242 C HN 0.545 nan 8.230 nan 0.000 0.483 243 D N 0.910 121.196 120.400 -0.190 0.000 2.084 243 D HA -0.078 4.563 4.640 0.002 0.000 0.196 243 D C 2.355 178.360 176.300 -0.493 0.000 0.985 243 D CA 1.734 55.625 54.000 -0.180 0.000 0.826 243 D CB -0.561 40.200 40.800 -0.064 0.000 0.978 243 D HN 0.473 nan 8.370 nan 0.000 0.456 244 A N 1.117 123.509 122.820 -0.712 0.000 1.883 244 A HA -0.157 4.164 4.320 0.002 0.000 0.217 244 A C 2.462 179.865 177.584 -0.302 0.000 1.186 244 A CA 1.125 52.802 52.037 -0.601 0.000 0.624 244 A CB -0.888 17.635 19.000 -0.796 0.000 0.822 244 A HN 0.206 nan 8.150 nan 0.000 0.444 245 L N -0.514 120.546 121.223 -0.271 0.000 2.093 245 L HA -0.161 4.179 4.340 0.002 0.000 0.208 245 L C 2.333 179.125 176.870 -0.129 0.000 1.085 245 L CA 1.117 55.879 54.840 -0.132 0.000 0.755 245 L CB -0.594 41.392 42.059 -0.121 0.000 0.904 245 L HN 0.429 nan 8.230 nan 0.000 0.435 246 N N 0.148 118.708 118.700 -0.232 0.000 2.250 246 N HA -0.063 4.678 4.740 0.002 0.000 0.181 246 N C 1.918 177.031 175.510 -0.662 0.000 1.017 246 N CA 1.324 54.206 53.050 -0.279 0.000 0.866 246 N CB 0.035 38.533 38.487 0.018 0.000 0.985 246 N HN 0.261 nan 8.380 nan 0.000 0.429 247 A N 1.405 123.645 122.820 -0.967 0.000 1.930 247 A HA -0.146 4.175 4.320 0.002 0.000 0.217 247 A C 2.010 179.375 177.584 -0.365 0.000 1.175 247 A CA 0.794 52.278 52.037 -0.923 0.000 0.627 247 A CB -1.043 17.452 19.000 -0.842 0.000 0.815 247 A HN 0.597 nan 8.150 nan 0.000 0.443 248 W N 0.829 121.915 121.300 -0.356 0.000 2.358 248 W HA -0.223 4.438 4.660 0.002 0.000 0.303 248 W C 1.930 178.302 176.519 -0.245 0.000 1.208 248 W CA 1.923 59.137 57.345 -0.219 0.000 1.274 248 W CB -0.324 29.039 29.460 -0.162 0.000 1.138 248 W HN 0.509 nan 8.180 nan 0.000 0.515 249 Q N 0.691 120.176 119.800 -0.526 0.000 2.084 249 Q HA -0.238 4.103 4.340 0.002 0.000 0.202 249 Q C 2.499 178.052 176.000 -0.745 0.000 0.978 249 Q CA 1.874 57.283 55.803 -0.658 0.000 0.844 249 Q CB -0.572 27.788 28.738 -0.631 0.000 0.898 249 Q HN 0.388 nan 8.270 nan 0.000 0.426 250 L N 0.683 121.416 121.223 -0.817 0.000 1.989 250 L HA -0.195 4.146 4.340 0.002 0.000 0.211 250 L C 2.399 179.104 176.870 -0.274 0.000 1.071 250 L CA 1.469 56.050 54.840 -0.432 0.000 0.749 250 L CB -0.317 41.650 42.059 -0.153 0.000 0.890 250 L HN 0.234 nan 8.230 nan 0.000 0.431 251 V N -2.536 117.185 119.914 -0.323 0.000 2.427 251 V HA -0.256 3.865 4.120 0.002 0.000 0.248 251 V C 2.490 178.335 176.094 -0.415 0.000 1.051 251 V CA 2.004 64.135 62.300 -0.282 0.000 1.048 251 V CB -0.908 30.790 31.823 -0.208 0.000 0.666 251 V HN 0.504 nan 8.190 nan 0.000 0.456 252 K N 0.590 120.555 120.400 -0.724 0.000 2.026 252 K HA -0.219 4.102 4.320 0.002 0.000 0.208 252 K C 2.218 178.619 176.600 -0.331 0.000 1.048 252 K CA 2.167 58.048 56.287 -0.678 0.000 0.929 252 K CB -0.251 31.691 32.500 -0.930 0.000 0.713 252 K HN 0.668 nan 8.250 nan 0.000 0.439 253 E N 0.538 120.578 120.200 -0.266 0.000 2.150 253 E HA -0.147 4.204 4.350 0.002 0.000 0.193 253 E C 2.093 178.642 176.600 -0.085 0.000 0.985 253 E CA 0.807 57.133 56.400 -0.124 0.000 0.814 253 E CB 0.019 29.693 29.700 -0.043 0.000 0.752 253 E HN 0.300 nan 8.360 nan 0.000 0.466 254 L N 0.790 121.957 121.223 -0.094 0.000 2.017 254 L HA -0.210 4.130 4.340 0.002 0.000 0.208 254 L C 2.506 179.345 176.870 -0.052 0.000 1.073 254 L CA 1.128 55.939 54.840 -0.049 0.000 0.745 254 L CB -0.183 41.853 42.059 -0.037 0.000 0.894 254 L HN 0.026 nan 8.230 nan 0.000 0.432 255 K N 0.149 120.498 120.400 -0.085 0.000 2.057 255 K HA -0.201 4.120 4.320 0.002 0.000 0.207 255 K C 2.064 178.633 176.600 -0.052 0.000 1.049 255 K CA 1.528 57.776 56.287 -0.066 0.000 0.931 255 K CB -0.093 32.354 32.500 -0.088 0.000 0.714 255 K HN 0.303 nan 8.250 nan 0.000 0.440 256 Q N -0.729 119.031 119.800 -0.066 0.000 2.124 256 Q HA -0.074 4.267 4.340 0.002 0.000 0.202 256 Q C 2.072 178.053 176.000 -0.032 0.000 0.977 256 Q CA 1.484 57.260 55.803 -0.046 0.000 0.850 256 Q CB -0.186 28.520 28.738 -0.054 0.000 0.901 256 Q HN 0.431 nan 8.270 nan 0.000 0.429 257 A N 0.322 123.124 122.820 -0.030 0.000 1.968 257 A HA -0.036 4.285 4.320 0.002 0.000 0.217 257 A C 1.802 179.383 177.584 -0.005 0.000 1.169 257 A CA 0.968 52.995 52.037 -0.017 0.000 0.638 257 A CB -0.049 18.946 19.000 -0.009 0.000 0.812 257 A HN 0.279 nan 8.150 nan 0.000 0.446 258 L N -2.440 118.780 121.223 -0.006 0.000 2.781 258 L HA 0.316 4.656 4.340 0.002 0.000 0.245 258 L C 1.509 178.378 176.870 -0.002 0.000 1.118 258 L CA 0.451 55.291 54.840 0.001 0.000 0.918 258 L CB 0.252 42.315 42.059 0.006 0.000 1.246 258 L HN 0.487 nan 8.230 nan 0.000 0.526 259 G N 1.697 110.493 108.800 -0.007 0.000 2.160 259 G HA2 -0.279 3.682 3.960 0.002 0.000 0.251 259 G HA3 -0.279 3.682 3.960 0.002 0.000 0.251 259 G C 0.034 174.933 174.900 -0.001 0.000 1.008 259 G CA 0.264 45.361 45.100 -0.005 0.000 0.724 259 G HN 0.306 nan 8.290 nan 0.000 0.514 260 I N 0.227 120.798 120.570 0.000 0.000 2.465 260 I HA 0.332 4.503 4.170 0.002 0.000 0.291 260 I C -2.240 173.881 176.117 0.007 0.000 1.014 260 I CA -2.770 58.535 61.300 0.008 0.000 1.093 260 I CB 2.329 40.337 38.000 0.014 0.000 1.267 260 I HN -0.210 nan 8.210 nan 0.000 0.431 261 P HA 0.005 nan 4.420 nan 0.000 0.263 261 P C -0.898 176.416 177.300 0.024 0.000 1.175 261 P CA 0.298 63.408 63.100 0.016 0.000 0.761 261 P CB 0.533 32.249 31.700 0.027 0.000 0.794 262 A N 2.440 125.268 122.820 0.014 0.000 2.423 262 A HA 0.904 5.225 4.320 0.002 0.000 0.304 262 A C -1.027 176.589 177.584 0.053 0.000 1.104 262 A CA -0.318 51.734 52.037 0.025 0.000 0.757 262 A CB 1.856 20.849 19.000 -0.011 0.000 1.313 262 A HN 0.532 nan 8.150 nan 0.000 0.423 263 A N -0.587 122.290 122.820 0.095 0.000 2.594 263 A HA 0.995 5.316 4.320 0.002 0.000 0.291 263 A C -0.575 177.123 177.584 0.190 0.000 1.105 263 A CA -0.044 52.090 52.037 0.163 0.000 0.694 263 A CB 1.301 20.461 19.000 0.265 0.000 1.291 263 A HN 2.619 nan 8.150 nan 0.000 0.410 264 A N -0.224 122.753 122.820 0.262 0.000 2.549 264 A HA 0.817 5.138 4.320 0.002 0.000 0.297 264 A C -0.623 177.215 177.584 0.424 0.000 1.061 264 A CA 0.138 52.365 52.037 0.317 0.000 0.690 264 A CB 1.457 20.668 19.000 0.352 0.000 1.287 264 A HN 1.945 nan 8.150 nan 0.000 0.402 265 S N 1.080 117.024 115.700 0.405 0.000 2.566 265 S HA 0.738 5.209 4.470 0.002 0.000 0.324 265 S C -1.432 173.413 174.600 0.407 0.000 1.081 265 S CA -0.270 58.177 58.200 0.412 0.000 1.105 265 S CB -0.206 63.161 63.200 0.278 0.000 0.981 265 S HN 0.461 nan 8.310 nan 0.000 0.464 266 F N 3.295 123.381 119.950 0.227 0.000 2.458 266 F HA 0.769 5.297 4.527 0.002 0.000 0.330 266 F C 0.203 176.121 175.800 0.197 0.000 1.082 266 F CA -0.671 57.451 58.000 0.203 0.000 0.995 266 F CB 1.957 41.075 39.000 0.196 0.000 1.170 266 F HN 0.474 nan 8.300 nan 0.000 0.478 267 K N 1.391 121.933 120.400 0.236 0.000 2.565 267 K HA 0.316 4.637 4.320 0.002 0.000 0.251 267 K C -0.772 175.950 176.600 0.203 0.000 0.956 267 K CA -0.449 55.953 56.287 0.192 0.000 0.809 267 K CB 0.350 32.965 32.500 0.191 0.000 1.267 267 K HN 0.579 nan 8.250 nan 0.000 0.438 268 H N 3.091 122.282 119.070 0.200 0.000 2.692 268 H HA -0.140 4.417 4.556 0.001 0.000 0.316 268 H C -0.203 175.234 175.328 0.182 0.000 1.176 268 H CA 1.199 57.350 56.048 0.172 0.000 1.142 268 H CB -1.372 28.469 29.762 0.132 0.000 1.475 268 H HN 0.667 nan 8.280 nan 0.000 0.423 269 V N -1.751 118.360 119.914 0.329 0.000 4.112 269 V HA -0.309 3.812 4.120 0.002 0.000 0.233 269 V C 0.670 176.981 176.094 0.361 0.000 0.458 269 V CA 1.614 64.163 62.300 0.415 0.000 0.909 269 V CB -1.888 30.119 31.823 0.306 0.000 0.963 269 V HN 0.592 nan 8.190 nan 0.000 1.260 270 S N 0.217 115.932 115.700 0.025 0.000 2.546 270 S HA 0.679 5.150 4.470 0.002 0.000 0.274 270 S C -2.776 171.227 174.600 -0.994 0.000 1.121 270 S CA -0.884 57.120 58.200 -0.327 0.000 0.887 270 S CB 3.318 66.475 63.200 -0.071 0.000 1.094 270 S HN 0.287 nan 8.310 nan 0.000 0.474 271 P HA 0.286 nan 4.420 nan 0.000 0.280 271 P C -0.175 176.954 177.300 -0.284 0.000 1.244 271 P CA -0.240 62.342 63.100 -0.863 0.000 0.784 271 P CB 1.187 32.635 31.700 -0.421 0.000 0.913 272 A N 3.267 126.013 122.820 -0.123 0.000 2.030 272 A HA 0.433 4.754 4.320 0.002 0.000 0.215 272 A C 1.068 178.665 177.584 0.022 0.000 1.164 272 A CA 1.249 53.287 52.037 0.002 0.000 0.697 272 A CB -0.526 18.519 19.000 0.075 0.000 0.827 272 A HN 0.686 nan 8.150 nan 0.000 0.457 273 G N -2.756 106.060 108.800 0.027 0.000 2.601 273 G HA2 0.673 4.634 3.960 0.002 0.000 0.291 273 G HA3 0.673 4.634 3.960 0.002 0.000 0.291 273 G C -1.293 173.653 174.900 0.077 0.000 1.456 273 G CA 0.159 45.282 45.100 0.039 0.000 0.804 273 G HN 1.239 nan 8.290 nan 0.000 0.499 274 A N -0.937 121.922 122.820 0.065 0.000 2.594 274 A HA 1.125 5.446 4.320 0.002 0.000 0.296 274 A C -0.407 177.213 177.584 0.060 0.000 1.061 274 A CA 0.341 52.435 52.037 0.096 0.000 0.689 274 A CB 1.321 20.390 19.000 0.115 0.000 1.280 274 A HN 2.669 nan 8.150 nan 0.000 0.406 275 A N -0.048 122.814 122.820 0.069 0.000 2.566 275 A HA 0.826 5.147 4.320 0.002 0.000 0.290 275 A C -0.697 176.919 177.584 0.054 0.000 1.071 275 A CA 0.071 52.139 52.037 0.051 0.000 0.658 275 A CB 0.274 19.304 19.000 0.050 0.000 1.285 275 A HN 2.336 nan 8.150 nan 0.000 0.427 276 V N -1.477 118.464 119.914 0.045 0.000 2.850 276 V HA 0.849 4.970 4.120 0.002 0.000 0.315 276 V C 0.826 176.953 176.094 0.054 0.000 1.064 276 V CA -0.106 62.218 62.300 0.041 0.000 0.979 276 V CB 1.473 33.312 31.823 0.027 0.000 1.039 276 V HN 1.900 nan 8.190 nan 0.000 0.452 277 G N 3.116 111.949 108.800 0.054 0.000 3.090 277 G HA2 0.276 4.237 3.960 0.002 0.000 0.259 277 G HA3 0.276 4.237 3.960 0.002 0.000 0.259 277 G C 0.122 175.059 174.900 0.062 0.000 0.797 277 G CA -0.208 44.930 45.100 0.063 0.000 2.032 277 G HN 0.483 nan 8.290 nan 0.000 0.614 278 I N 1.410 122.021 120.570 0.068 0.000 2.441 278 I HA 0.203 4.374 4.170 0.002 0.000 0.287 278 I C -1.905 174.268 176.117 0.093 0.000 1.049 278 I CA -3.320 58.023 61.300 0.072 0.000 1.381 278 I CB 1.024 39.067 38.000 0.073 0.000 1.409 278 I HN 0.076 nan 8.210 nan 0.000 0.523 279 P HA 0.092 nan 4.420 nan 0.000 0.266 279 P C -0.569 176.825 177.300 0.157 0.000 1.195 279 P CA -0.217 62.950 63.100 0.111 0.000 0.768 279 P CB 0.453 32.204 31.700 0.085 0.000 0.838 280 L N 1.920 123.269 121.223 0.211 0.000 2.357 280 L HA 0.329 4.670 4.340 0.002 0.000 0.273 280 L C 1.005 178.051 176.870 0.293 0.000 1.080 280 L CA 0.217 55.192 54.840 0.226 0.000 0.803 280 L CB 0.679 42.846 42.059 0.180 0.000 1.174 280 L HN 0.397 nan 8.230 nan 0.000 0.443 281 S N 0.424 116.241 115.700 0.194 0.000 2.634 281 S HA 0.178 4.649 4.470 0.002 0.000 0.261 281 S C 0.958 175.572 174.600 0.023 0.000 1.271 281 S CA -0.407 57.900 58.200 0.178 0.000 0.985 281 S CB 0.659 63.955 63.200 0.159 0.000 0.968 281 S HN 0.717 nan 8.310 nan 0.000 0.568 282 E N 0.555 120.792 120.200 0.061 0.000 2.085 282 E HA -0.214 4.137 4.350 0.002 0.000 0.194 282 E C 1.617 178.188 176.600 -0.047 0.000 0.994 282 E CA 1.601 57.963 56.400 -0.064 0.000 0.801 282 E CB -0.178 29.607 29.700 0.142 0.000 0.743 282 E HN 0.792 nan 8.360 nan 0.000 0.453 283 E N 0.484 120.686 120.200 0.003 0.000 2.077 283 E HA -0.205 4.146 4.350 0.002 0.000 0.193 283 E C 1.896 178.444 176.600 -0.086 0.000 0.989 283 E CA 1.255 57.636 56.400 -0.031 0.000 0.800 283 E CB -0.104 29.614 29.700 0.031 0.000 0.746 283 E HN 0.142 nan 8.360 nan 0.000 0.452 284 E N 0.585 120.776 120.200 -0.015 0.000 2.106 284 E HA -0.090 4.261 4.350 0.002 0.000 0.192 284 E C 1.842 178.412 176.600 -0.050 0.000 0.984 284 E CA 1.206 57.607 56.400 0.000 0.000 0.806 284 E CB -0.306 29.492 29.700 0.164 0.000 0.750 284 E HN 0.250 nan 8.360 nan 0.000 0.458 285 A N 0.277 123.026 122.820 -0.119 0.000 1.972 285 A HA -0.237 4.084 4.320 0.002 0.000 0.219 285 A C 2.093 179.650 177.584 -0.045 0.000 1.169 285 A CA 1.651 53.609 52.037 -0.132 0.000 0.635 285 A CB -0.475 18.262 19.000 -0.437 0.000 0.810 285 A HN 0.338 nan 8.150 nan 0.000 0.446 286 Q N -0.602 119.163 119.800 -0.058 0.000 2.046 286 Q HA -0.100 4.241 4.340 0.002 0.000 0.200 286 Q C 2.146 178.078 176.000 -0.115 0.000 0.975 286 Q CA 1.581 57.333 55.803 -0.084 0.000 0.836 286 Q CB -0.344 28.297 28.738 -0.161 0.000 0.896 286 Q HN 0.479 nan 8.270 nan 0.000 0.428 287 V N 0.641 120.442 119.914 -0.187 0.000 2.392 287 V HA -0.244 3.877 4.120 0.002 0.000 0.249 287 V C 1.477 177.518 176.094 -0.089 0.000 1.059 287 V CA 0.860 63.020 62.300 -0.233 0.000 1.051 287 V CB -0.312 31.199 31.823 -0.520 0.000 0.658 287 V HN 0.399 nan 8.190 nan 0.000 0.455 291 H N 3.132 122.184 119.070 -0.029 0.000 2.387 291 H HA -0.153 4.404 4.556 0.001 0.000 0.299 291 H C 1.840 177.190 175.328 0.037 0.000 1.099 291 H CA 2.594 58.621 56.048 -0.034 0.000 1.315 291 H CB 0.226 29.954 29.762 -0.058 0.000 1.380 291 H HN 0.823 nan 8.280 nan 0.000 0.513 292 D N 0.410 120.831 120.400 0.035 0.000 2.264 292 D HA -0.123 4.518 4.640 0.002 0.000 0.208 292 D C 1.959 178.251 176.300 -0.014 0.000 0.966 292 D CA 0.563 54.565 54.000 0.004 0.000 0.864 292 D CB -0.458 40.366 40.800 0.041 0.000 0.933 292 D HN 0.437 nan 8.370 nan 0.000 0.499 293 L N -0.757 120.473 121.223 0.012 0.000 2.616 293 L HA 0.120 4.460 4.340 0.002 0.000 0.229 293 L C 2.366 179.270 176.870 0.056 0.000 1.110 293 L CA -0.263 54.594 54.840 0.028 0.000 0.884 293 L CB -0.452 41.632 42.059 0.042 0.000 1.115 293 L HN 0.079 nan 8.230 nan 0.000 0.481 294 H N 2.078 121.098 119.070 -0.084 0.000 2.278 294 H HA -0.301 4.256 4.556 0.001 0.000 0.287 294 H C 1.715 177.014 175.328 -0.048 0.000 1.107 294 H CA 2.219 58.221 56.048 -0.076 0.000 1.192 294 H CB 0.283 29.948 29.762 -0.161 0.000 1.346 294 H HN 0.268 nan 8.280 nan 0.000 0.478 295 K N -0.417 119.906 120.400 -0.130 0.000 2.362 295 K HA -0.075 4.246 4.320 0.002 0.000 0.200 295 K C 2.071 178.611 176.600 -0.099 0.000 1.046 295 K CA 1.392 57.567 56.287 -0.187 0.000 0.952 295 K CB 0.082 32.507 32.500 -0.125 0.000 0.753 295 K HN 0.515 nan 8.250 nan 0.000 0.466 296 T N -1.448 113.079 114.554 -0.045 0.000 3.065 296 T HA 0.146 4.496 4.350 0.002 0.000 0.252 296 T C 0.694 175.393 174.700 -0.002 0.000 1.099 296 T CA -0.274 61.815 62.100 -0.019 0.000 1.063 296 T CB -0.117 68.750 68.868 -0.002 0.000 0.948 296 T HN -0.047 nan 8.240 nan 0.000 0.506 297 L N 3.946 125.174 121.223 0.008 0.000 2.513 297 L HA 0.258 4.599 4.340 0.002 0.000 0.272 297 L C 1.127 178.013 176.870 0.027 0.000 1.187 297 L CA -0.425 54.438 54.840 0.039 0.000 0.895 297 L CB 0.103 42.211 42.059 0.082 0.000 1.147 297 L HN 0.375 nan 8.230 nan 0.000 0.483 298 T N 0.235 114.812 114.554 0.038 0.000 2.862 298 T HA 0.313 4.664 4.350 0.002 0.000 0.276 298 T C -1.894 172.834 174.700 0.047 0.000 0.974 298 T CA -1.830 60.290 62.100 0.033 0.000 0.966 298 T CB 1.397 70.284 68.868 0.031 0.000 1.072 298 T HN 0.268 nan 8.240 nan 0.000 0.538 299 P HA -0.040 nan 4.420 nan 0.000 0.215 299 P C 1.699 179.037 177.300 0.063 0.000 1.153 299 P CA 0.352 63.481 63.100 0.050 0.000 0.853 299 P CB -0.060 31.662 31.700 0.037 0.000 0.788 300 L N -0.405 120.853 121.223 0.059 0.000 2.046 300 L HA -0.082 4.259 4.340 0.002 0.000 0.208 300 L C 2.165 179.101 176.870 0.111 0.000 1.077 300 L CA 1.979 56.863 54.840 0.073 0.000 0.747 300 L CB -1.498 40.592 42.059 0.051 0.000 0.896 300 L HN -0.131 nan 8.230 nan 0.000 0.432 301 A N -1.605 121.277 122.820 0.103 0.000 1.930 301 A HA -0.156 4.165 4.320 0.002 0.000 0.217 301 A C 2.369 180.043 177.584 0.150 0.000 1.175 301 A CA 1.822 53.941 52.037 0.137 0.000 0.627 301 A CB -0.834 18.228 19.000 0.104 0.000 0.815 301 A HN 0.517 nan 8.150 nan 0.000 0.443 302 S N -0.025 115.746 115.700 0.119 0.000 2.383 302 S HA -0.018 4.452 4.470 0.002 0.000 0.227 302 S C 2.287 176.956 174.600 0.114 0.000 1.026 302 S CA 1.082 59.352 58.200 0.117 0.000 0.981 302 S CB -0.423 62.841 63.200 0.106 0.000 0.818 302 S HN 0.787 nan 8.310 nan 0.000 0.472 303 A N 0.542 123.433 122.820 0.119 0.000 1.902 303 A HA -0.128 4.193 4.320 0.002 0.000 0.217 303 A C 1.993 179.663 177.584 0.143 0.000 1.181 303 A CA 1.558 53.666 52.037 0.118 0.000 0.623 303 A CB -0.889 18.178 19.000 0.112 0.000 0.818 303 A HN 0.562 nan 8.150 nan 0.000 0.443 304 Y N 0.541 120.888 120.300 0.078 0.000 2.263 304 Y HA 0.037 4.588 4.550 0.002 0.000 0.292 304 Y C 2.632 178.589 175.900 0.095 0.000 1.130 304 Y CA 0.752 58.904 58.100 0.086 0.000 1.179 304 Y CB -0.625 37.882 38.460 0.078 0.000 0.998 304 Y HN 0.304 nan 8.280 nan 0.000 0.532 305 A N 0.608 123.396 122.820 -0.053 0.000 1.908 305 A HA -0.219 4.101 4.320 0.002 0.000 0.218 305 A C 2.343 179.881 177.584 -0.078 0.000 1.181 305 A CA 1.961 53.944 52.037 -0.090 0.000 0.627 305 A CB -0.598 18.429 19.000 0.044 0.000 0.818 305 A HN 0.519 nan 8.150 nan 0.000 0.445 306 R N -0.497 120.005 120.500 0.003 0.000 2.092 306 R HA -0.039 4.302 4.340 0.002 0.000 0.231 306 R C 2.515 178.823 176.300 0.014 0.000 1.119 306 R CA 1.376 57.513 56.100 0.062 0.000 0.970 306 R CB -0.298 30.058 30.300 0.093 0.000 0.864 306 R HN 0.514 nan 8.270 nan 0.000 0.440 307 S N 0.512 116.179 115.700 -0.054 0.000 2.355 307 S HA -0.126 4.345 4.470 0.002 0.000 0.222 307 S C 1.843 176.391 174.600 -0.087 0.000 1.031 307 S CA 1.024 59.201 58.200 -0.038 0.000 0.993 307 S CB -0.132 63.087 63.200 0.030 0.000 0.859 307 S HN 0.296 nan 8.310 nan 0.000 0.453 308 R N 0.661 120.985 120.500 -0.293 0.000 2.193 308 R HA -0.001 4.340 4.340 0.002 0.000 0.213 308 R C 2.163 178.442 176.300 -0.035 0.000 1.055 308 R CA 0.823 56.799 56.100 -0.207 0.000 0.995 308 R CB -0.370 29.677 30.300 -0.423 0.000 0.893 308 R HN 0.441 nan 8.270 nan 0.000 0.459 309 G N -0.358 108.444 108.800 0.004 0.000 2.572 309 G HA2 -0.145 3.816 3.960 0.002 0.000 0.216 309 G HA3 -0.145 3.816 3.960 0.002 0.000 0.216 309 G C 1.373 176.436 174.900 0.271 0.000 1.133 309 G CA 0.524 45.708 45.100 0.140 0.000 0.791 309 G HN 0.385 nan 8.290 nan 0.000 0.538 310 A N -0.042 122.890 122.820 0.187 0.000 1.865 310 A HA -0.023 4.297 4.320 0.002 0.000 0.217 310 A C 1.234 178.965 177.584 0.245 0.000 1.191 310 A CA 1.658 53.801 52.037 0.178 0.000 0.623 310 A CB -0.049 18.980 19.000 0.049 0.000 0.826 310 A HN 0.304 nan 8.150 nan 0.000 0.444 311 D N -1.032 119.473 120.400 0.175 0.000 2.323 311 D HA 0.193 4.834 4.640 0.002 0.000 0.242 311 D C -0.426 175.963 176.300 0.149 0.000 1.347 311 D CA -0.455 53.647 54.000 0.170 0.000 0.988 311 D CB 0.493 41.378 40.800 0.142 0.000 1.314 311 D HN 0.102 nan 8.370 nan 0.000 0.564 315 S N 1.419 117.240 115.700 0.202 0.000 2.603 315 S HA 0.294 4.765 4.470 0.002 0.000 0.220 315 S C 0.158 174.895 174.600 0.229 0.000 0.967 315 S CA -0.221 58.100 58.200 0.202 0.000 0.920 315 S CB -0.275 63.019 63.200 0.157 0.000 0.773 315 S HN 0.509 nan 8.310 nan 0.000 0.529 316 F N 2.899 122.920 119.950 0.119 0.000 2.557 316 F HA 0.388 4.916 4.527 0.001 0.000 0.384 316 F C 1.238 177.112 175.800 0.122 0.000 1.057 316 F CA 0.404 58.471 58.000 0.112 0.000 1.169 316 F CB -0.260 38.800 39.000 0.099 0.000 1.070 316 F HN 0.250 nan 8.300 nan 0.000 0.554 317 G N 4.171 112.823 108.800 -0.246 0.000 2.198 317 G HA2 -0.282 3.679 3.960 0.002 0.000 0.257 317 G HA3 -0.282 3.679 3.960 0.002 0.000 0.257 317 G C -0.267 174.687 174.900 0.089 0.000 1.042 317 G CA 0.105 45.150 45.100 -0.091 0.000 0.791 317 G HN 1.032 nan 8.290 nan 0.000 0.502 318 D N -0.805 119.670 120.400 0.125 0.000 2.360 318 D HA 0.484 5.125 4.640 0.002 0.000 0.242 318 D C -0.111 176.307 176.300 0.197 0.000 1.184 318 D CA -0.850 53.274 54.000 0.207 0.000 0.930 318 D CB 0.821 41.770 40.800 0.249 0.000 1.161 318 D HN 0.097 nan 8.370 nan 0.000 0.447 319 F N 0.264 120.318 119.950 0.175 0.000 2.411 319 F HA 0.425 4.953 4.527 0.001 0.000 0.352 319 F C -0.365 175.533 175.800 0.164 0.000 1.123 319 F CA -1.042 57.027 58.000 0.115 0.000 1.044 319 F CB 0.726 39.767 39.000 0.068 0.000 1.135 319 F HN 0.215 nan 8.300 nan 0.000 0.461 320 I N 5.124 125.678 120.570 -0.026 0.000 2.428 320 I HA 0.613 4.784 4.170 0.002 0.000 0.296 320 I C -0.232 175.985 176.117 0.166 0.000 0.985 320 I CA -0.761 60.602 61.300 0.104 0.000 1.260 320 I CB 1.510 39.432 38.000 -0.129 0.000 1.389 320 I HN 0.675 nan 8.210 nan 0.000 0.484 321 A N 7.290 130.232 122.820 0.203 0.000 2.356 321 A HA 0.870 5.191 4.320 0.002 0.000 0.310 321 A C -0.978 176.697 177.584 0.153 0.000 1.075 321 A CA -0.492 51.663 52.037 0.197 0.000 0.746 321 A CB 1.048 20.136 19.000 0.147 0.000 1.221 321 A HN 0.661 nan 8.150 nan 0.000 0.443 322 L N 2.282 123.597 121.223 0.154 0.000 2.385 322 L HA 0.383 4.724 4.340 0.002 0.000 0.273 322 L C 1.372 178.323 176.870 0.135 0.000 0.990 322 L CA -0.476 54.422 54.840 0.098 0.000 0.821 322 L CB 2.335 44.410 42.059 0.027 0.000 1.279 322 L HN 0.913 nan 8.230 nan 0.000 0.412 323 S N -0.534 115.191 115.700 0.042 0.000 2.461 323 S HA 0.052 4.523 4.470 0.002 0.000 0.228 323 S C 0.296 174.941 174.600 0.074 0.000 1.005 323 S CA 0.327 58.521 58.200 -0.011 0.000 0.942 323 S CB -0.078 63.063 63.200 -0.097 0.000 0.776 323 S HN 0.670 nan 8.310 nan 0.000 0.514 324 D N 0.170 120.596 120.400 0.044 0.000 2.467 324 D HA 0.516 5.157 4.640 0.002 0.000 0.245 324 D C -0.411 175.865 176.300 -0.039 0.000 1.038 324 D CA -0.812 53.199 54.000 0.018 0.000 1.038 324 D CB 0.894 41.699 40.800 0.008 0.000 1.278 324 D HN 0.113 nan 8.370 nan 0.000 0.564 325 I N 1.014 121.547 120.570 -0.061 0.000 2.752 325 I HA -0.063 4.108 4.170 0.002 0.000 0.289 325 I C 0.585 176.627 176.117 -0.125 0.000 1.197 325 I CA -0.027 61.194 61.300 -0.132 0.000 1.432 325 I CB 0.244 38.200 38.000 -0.074 0.000 1.359 325 I HN 0.263 nan 8.210 nan 0.000 0.571 326 C N 7.864 127.031 119.300 -0.221 0.000 2.651 326 C HA 0.078 4.539 4.460 0.002 0.000 0.410 326 C C 0.404 175.394 174.990 -0.000 0.000 1.372 326 C CA -0.566 58.397 59.018 -0.092 0.000 1.707 326 C CB -1.272 26.442 27.740 -0.043 0.000 2.501 326 C HN 0.845 nan 8.230 nan 0.000 0.598 327 D N 3.998 124.406 120.400 0.013 0.000 2.466 327 D HA 0.275 4.916 4.640 0.002 0.000 0.262 327 D C 0.917 177.238 176.300 0.034 0.000 1.177 327 D CA -0.731 53.283 54.000 0.025 0.000 1.035 327 D CB 0.467 41.279 40.800 0.020 0.000 1.105 327 D HN 0.238 nan 8.370 nan 0.000 0.551 328 V N -0.015 119.916 119.914 0.029 0.000 2.295 328 V HA -0.101 4.019 4.120 0.002 0.000 0.246 328 V C -0.927 175.182 176.094 0.025 0.000 1.049 328 V CA 1.716 64.031 62.300 0.024 0.000 1.024 328 V CB -1.568 30.266 31.823 0.017 0.000 0.648 328 V HN 0.553 nan 8.190 nan 0.000 0.447 329 P HA -0.119 nan 4.420 nan 0.000 0.215 329 P C 1.836 179.167 177.300 0.052 0.000 1.153 329 P CA 1.740 64.862 63.100 0.037 0.000 0.853 329 P CB -0.196 31.526 31.700 0.038 0.000 0.788 330 T N -0.552 114.035 114.554 0.055 0.000 2.708 330 T HA -0.147 4.204 4.350 0.002 0.000 0.266 330 T C 1.905 176.623 174.700 0.031 0.000 1.037 330 T CA 1.683 63.823 62.100 0.066 0.000 1.146 330 T CB -1.004 67.894 68.868 0.049 0.000 0.865 330 T HN 0.046 nan 8.240 nan 0.000 0.435 331 A N 1.588 124.420 122.820 0.019 0.000 1.933 331 A HA -0.111 4.210 4.320 0.002 0.000 0.218 331 A C 2.252 179.824 177.584 -0.021 0.000 1.175 331 A CA 1.488 53.522 52.037 -0.005 0.000 0.628 331 A CB -0.420 18.588 19.000 0.014 0.000 0.814 331 A HN 0.441 nan 8.150 nan 0.000 0.444 332 K N -0.547 119.854 120.400 0.002 0.000 2.148 332 K HA 0.002 4.323 4.320 0.002 0.000 0.204 332 K C 1.731 178.338 176.600 0.012 0.000 1.050 332 K CA 1.250 57.536 56.287 -0.001 0.000 0.942 332 K CB -0.276 32.229 32.500 0.009 0.000 0.724 332 K HN 0.556 nan 8.250 nan 0.000 0.446 333 I N 0.867 121.467 120.570 0.050 0.000 2.163 333 I HA -0.266 3.905 4.170 0.002 0.000 0.240 333 I C 2.190 178.361 176.117 0.090 0.000 1.081 333 I CA 1.231 62.591 61.300 0.100 0.000 1.353 333 I CB -0.251 37.871 38.000 0.203 0.000 1.054 333 I HN 0.091 nan 8.210 nan 0.000 0.407 334 I N 0.137 120.730 120.570 0.039 0.000 2.264 334 I HA -0.329 3.842 4.170 0.002 0.000 0.248 334 I C 2.799 178.835 176.117 -0.135 0.000 1.111 334 I CA 1.366 62.630 61.300 -0.059 0.000 1.382 334 I CB -0.416 37.468 38.000 -0.192 0.000 1.060 334 I HN 0.238 nan 8.210 nan 0.000 0.418 335 S N 1.447 117.067 115.700 -0.134 0.000 2.374 335 S HA -0.236 4.235 4.470 0.002 0.000 0.227 335 S C 2.057 176.581 174.600 -0.126 0.000 1.037 335 S CA 1.779 59.881 58.200 -0.163 0.000 1.024 335 S CB -0.248 62.887 63.200 -0.109 0.000 0.861 335 S HN 0.541 nan 8.310 nan 0.000 0.456 336 R N -0.057 120.403 120.500 -0.067 0.000 2.317 336 R HA 0.256 4.597 4.340 0.002 0.000 0.208 336 R C -0.287 175.990 176.300 -0.037 0.000 0.914 336 R CA -0.020 56.051 56.100 -0.048 0.000 1.060 336 R CB 0.034 30.319 30.300 -0.025 0.000 1.015 336 R HN 0.294 nan 8.270 nan 0.000 0.498 337 E N 1.319 121.497 120.200 -0.037 0.000 2.212 337 E HA 0.240 4.591 4.350 0.002 0.000 0.270 337 E C -0.702 175.848 176.600 -0.084 0.000 0.956 337 E CA -1.080 55.309 56.400 -0.017 0.000 0.825 337 E CB 2.668 32.410 29.700 0.069 0.000 1.167 337 E HN -0.125 nan 8.360 nan 0.000 0.400 338 V N 1.908 121.742 119.914 -0.132 0.000 2.405 338 V HA 0.199 4.320 4.120 0.002 0.000 0.264 338 V C 0.391 176.353 176.094 -0.220 0.000 1.048 338 V CA 0.184 62.314 62.300 -0.283 0.000 0.966 338 V CB 0.581 32.000 31.823 -0.673 0.000 1.015 338 V HN 0.532 nan 8.190 nan 0.000 0.477 339 S N 2.682 118.317 115.700 -0.108 0.000 2.564 339 S HA 0.475 4.946 4.470 0.002 0.000 0.274 339 S C 0.114 174.803 174.600 0.149 0.000 1.124 339 S CA -0.650 57.573 58.200 0.037 0.000 0.869 339 S CB 2.142 65.407 63.200 0.109 0.000 1.105 339 S HN 0.700 nan 8.310 nan 0.000 0.472 340 D N 1.518 121.962 120.400 0.073 0.000 2.355 340 D HA 0.360 5.001 4.640 0.002 0.000 0.206 340 D C 0.758 176.856 176.300 -0.336 0.000 1.010 340 D CA 1.138 55.142 54.000 0.008 0.000 0.875 340 D CB 0.771 41.615 40.800 0.073 0.000 0.966 340 D HN 0.753 nan 8.370 nan 0.000 0.512 341 G N -0.863 107.505 108.800 -0.720 0.000 2.349 341 G HA2 0.441 4.401 3.960 0.002 0.000 0.294 341 G HA3 0.441 4.401 3.960 0.002 0.000 0.294 341 G C -2.072 171.883 174.900 -1.575 0.000 1.380 341 G CA -0.293 43.890 45.100 -1.527 0.000 0.811 341 G HN 0.060 nan 8.290 nan 0.000 0.519 342 V N -1.026 118.145 119.914 -1.238 0.000 3.048 342 V HA 0.826 4.947 4.120 0.002 0.000 0.303 342 V C -1.387 174.682 176.094 -0.042 0.000 1.214 342 V CA -0.564 61.429 62.300 -0.513 0.000 0.984 342 V CB 1.870 33.625 31.823 -0.113 0.000 1.054 342 V HN 1.638 nan 8.190 nan 0.000 0.430 343 V N 5.633 125.665 119.914 0.197 0.000 2.709 343 V HA 1.053 5.174 4.120 0.002 0.000 0.308 343 V C -0.230 175.961 176.094 0.162 0.000 1.062 343 V CA 0.479 62.916 62.300 0.228 0.000 0.901 343 V CB 1.560 33.528 31.823 0.241 0.000 1.003 343 V HN 1.983 nan 8.190 nan 0.000 0.425 344 A N 6.648 129.479 122.820 0.019 0.000 2.599 344 A HA 0.865 5.186 4.320 0.002 0.000 0.290 344 A C -2.717 174.716 177.584 -0.252 0.000 1.101 344 A CA -0.638 51.334 52.037 -0.108 0.000 0.674 344 A CB 1.667 20.401 19.000 -0.443 0.000 1.277 344 A HN 0.549 nan 8.150 nan 0.000 0.419 345 P HA 0.192 nan 4.420 nan 0.000 0.229 345 P C 0.725 177.922 177.300 -0.171 0.000 1.160 345 P CA 1.626 64.624 63.100 -0.170 0.000 0.777 345 P CB 0.456 32.174 31.700 0.029 0.000 0.814 346 G N -1.494 107.124 108.800 -0.303 0.000 2.349 346 G HA2 0.470 4.431 3.960 0.002 0.000 0.294 346 G HA3 0.470 4.431 3.960 0.002 0.000 0.294 346 G C -2.358 172.226 174.900 -0.527 0.000 1.380 346 G CA -0.644 44.319 45.100 -0.227 0.000 0.811 346 G HN -0.098 nan 8.290 nan 0.000 0.519 347 Y N 0.015 120.309 120.300 -0.011 0.000 2.470 347 Y HA 0.501 5.052 4.550 0.002 0.000 0.341 347 Y C 0.338 176.235 175.900 -0.006 0.000 1.021 347 Y CA -0.887 57.209 58.100 -0.007 0.000 1.025 347 Y CB 2.129 40.581 38.460 -0.013 0.000 1.266 347 Y HN 0.564 nan 8.280 nan 0.000 0.448 348 E N 2.042 122.314 120.200 0.120 0.000 2.398 348 E HA 0.021 4.372 4.350 0.002 0.000 0.263 348 E C 0.460 177.110 176.600 0.083 0.000 1.046 348 E CA -0.051 56.393 56.400 0.073 0.000 0.908 348 E CB 0.809 30.538 29.700 0.047 0.000 0.963 348 E HN 0.776 nan 8.360 nan 0.000 0.431 349 E N 1.935 122.166 120.200 0.052 0.000 2.086 349 E HA -0.257 4.094 4.350 0.002 0.000 0.200 349 E C 1.462 178.078 176.600 0.027 0.000 1.012 349 E CA 1.194 57.616 56.400 0.036 0.000 0.812 349 E CB 0.126 29.839 29.700 0.021 0.000 0.743 349 E HN 0.423 nan 8.360 nan 0.000 0.453 350 E N -0.018 120.197 120.200 0.025 0.000 2.204 350 E HA -0.115 4.235 4.350 0.002 0.000 0.194 350 E C 1.891 178.502 176.600 0.020 0.000 0.989 350 E CA 0.814 57.223 56.400 0.015 0.000 0.824 350 E CB -0.142 29.565 29.700 0.012 0.000 0.756 350 E HN 0.248 nan 8.360 nan 0.000 0.477 351 A N 1.065 123.911 122.820 0.044 0.000 1.898 351 A HA -0.120 4.200 4.320 0.002 0.000 0.216 351 A C 2.213 179.827 177.584 0.049 0.000 1.181 351 A CA 0.983 53.057 52.037 0.061 0.000 0.620 351 A CB -0.490 18.577 19.000 0.112 0.000 0.819 351 A HN 0.244 nan 8.150 nan 0.000 0.442 352 L N -0.021 121.229 121.223 0.044 0.000 2.083 352 L HA -0.108 4.233 4.340 0.002 0.000 0.209 352 L C 2.135 178.970 176.870 -0.058 0.000 1.083 352 L CA 2.092 56.901 54.840 -0.052 0.000 0.752 352 L CB -0.494 41.527 42.059 -0.063 0.000 0.899 352 L HN 0.333 nan 8.230 nan 0.000 0.433 353 K N -0.542 119.840 120.400 -0.030 0.000 2.097 353 K HA -0.141 4.180 4.320 0.002 0.000 0.206 353 K C 2.071 178.645 176.600 -0.042 0.000 1.049 353 K CA 1.807 58.075 56.287 -0.033 0.000 0.933 353 K CB -0.256 32.231 32.500 -0.021 0.000 0.717 353 K HN 0.379 nan 8.250 nan 0.000 0.442 354 I N 0.954 121.500 120.570 -0.040 0.000 2.233 354 I HA -0.261 3.910 4.170 0.002 0.000 0.243 354 I C 2.150 178.210 176.117 -0.095 0.000 1.093 354 I CA 1.118 62.383 61.300 -0.058 0.000 1.380 354 I CB -0.210 37.763 38.000 -0.045 0.000 1.067 354 I HN 0.092 nan 8.210 nan 0.000 0.413 355 L N -0.125 121.045 121.223 -0.090 0.000 2.083 355 L HA -0.181 4.160 4.340 0.002 0.000 0.209 355 L C 2.583 179.411 176.870 -0.071 0.000 1.083 355 L CA 1.110 55.876 54.840 -0.122 0.000 0.752 355 L CB -0.625 41.414 42.059 -0.033 0.000 0.899 355 L HN 0.160 nan 8.230 nan 0.000 0.433 356 S N -0.331 115.339 115.700 -0.050 0.000 2.442 356 S HA -0.141 4.330 4.470 0.002 0.000 0.236 356 S C 1.837 176.421 174.600 -0.026 0.000 1.007 356 S CA 1.086 59.271 58.200 -0.025 0.000 0.965 356 S CB -0.116 63.054 63.200 -0.050 0.000 0.773 356 S HN 0.394 nan 8.310 nan 0.000 0.504 357 K N 1.011 121.376 120.400 -0.058 0.000 2.296 357 K HA 0.071 4.392 4.320 0.002 0.000 0.200 357 K C 0.407 176.962 176.600 -0.074 0.000 1.048 357 K CA 0.449 56.701 56.287 -0.058 0.000 0.966 357 K CB 0.094 32.556 32.500 -0.064 0.000 0.754 357 K HN 0.300 nan 8.250 nan 0.000 0.466 358 K N 1.534 121.851 120.400 -0.139 0.000 2.440 358 K HA -0.025 4.296 4.320 0.002 0.000 0.270 358 K C -0.170 176.405 176.600 -0.042 0.000 0.980 358 K CA 0.406 56.577 56.287 -0.193 0.000 0.953 358 K CB 0.271 32.423 32.500 -0.579 0.000 0.925 358 K HN -0.014 nan 8.250 nan 0.000 0.497 359 K N 2.434 122.813 120.400 -0.034 0.000 3.148 359 K HA -0.290 4.030 4.320 0.002 0.000 0.267 359 K C -0.730 175.882 176.600 0.021 0.000 0.996 359 K CA 0.470 56.770 56.287 0.021 0.000 0.737 359 K CB -1.432 31.121 32.500 0.088 0.000 1.308 359 K HN 0.778 nan 8.250 nan 0.000 0.470 360 N N -1.310 117.391 118.700 0.000 0.000 2.735 360 N HA -0.225 4.516 4.740 0.002 0.000 0.248 360 N C 0.781 176.294 175.510 0.005 0.000 1.083 360 N CA 1.815 54.866 53.050 0.001 0.000 0.703 360 N CB -1.318 37.174 38.487 0.008 0.000 1.005 360 N HN 0.937 nan 8.380 nan 0.000 0.550 361 G N -2.079 106.724 108.800 0.005 0.000 2.179 361 G HA2 -0.270 3.691 3.960 0.002 0.000 0.260 361 G HA3 -0.270 3.691 3.960 0.002 0.000 0.260 361 G C 0.839 175.751 174.900 0.021 0.000 0.977 361 G CA 0.740 45.844 45.100 0.007 0.000 0.641 361 G HN 0.873 nan 8.290 nan 0.000 0.533 362 G N -0.762 108.060 108.800 0.037 0.000 3.337 362 G HA2 0.389 4.350 3.960 0.002 0.000 0.246 362 G HA3 0.389 4.350 3.960 0.002 0.000 0.246 362 G C 0.406 175.338 174.900 0.052 0.000 1.131 362 G CA 0.090 45.209 45.100 0.032 0.000 0.773 362 G HN 0.598 nan 8.290 nan 0.000 0.544 363 Y N 0.954 121.212 120.300 -0.069 0.000 2.721 363 Y HA 0.188 4.739 4.550 0.001 0.000 0.329 363 Y C 0.774 176.613 175.900 -0.102 0.000 1.211 363 Y CA -1.341 56.703 58.100 -0.093 0.000 1.512 363 Y CB 0.352 38.743 38.460 -0.116 0.000 1.249 363 Y HN 0.044 nan 8.280 nan 0.000 0.549 364 C N 8.128 127.100 119.300 -0.547 0.000 2.540 364 C HA 0.500 4.961 4.460 0.002 0.000 0.377 364 C C -0.519 174.133 174.990 -0.562 0.000 1.274 364 C CA -0.634 58.133 59.018 -0.417 0.000 1.718 364 C CB -2.231 25.376 27.740 -0.222 0.000 2.391 364 C HN 0.594 nan 8.230 nan 0.000 0.565 365 V N 8.885 128.604 119.914 -0.325 0.000 2.378 365 V HA 0.436 4.557 4.120 0.002 0.000 0.288 365 V C 0.008 176.003 176.094 -0.164 0.000 1.016 365 V CA -0.263 61.857 62.300 -0.300 0.000 0.840 365 V CB 1.175 32.772 31.823 -0.377 0.000 0.994 365 V HN 0.742 nan 8.190 nan 0.000 0.431 366 L N 4.330 125.536 121.223 -0.028 0.000 2.334 366 L HA 0.685 5.026 4.340 0.002 0.000 0.273 366 L C -0.160 176.776 176.870 0.110 0.000 1.013 366 L CA -0.415 54.438 54.840 0.022 0.000 0.816 366 L CB 2.015 44.100 42.059 0.043 0.000 1.278 366 L HN 0.643 nan 8.230 nan 0.000 0.431 370 P HA 0.011 nan 4.420 nan 0.000 0.230 370 P C 0.435 177.871 177.300 0.226 0.000 1.158 370 P CA 0.374 63.621 63.100 0.244 0.000 0.769 370 P CB 0.488 32.328 31.700 0.234 0.000 0.807 371 N N -1.210 117.578 118.700 0.146 0.000 2.299 371 N HA -0.019 4.722 4.740 0.002 0.000 0.187 371 N C 0.428 176.015 175.510 0.128 0.000 1.099 371 N CA -0.183 52.937 53.050 0.116 0.000 0.867 371 N CB -0.310 38.221 38.487 0.072 0.000 0.974 371 N HN 0.273 nan 8.380 nan 0.000 0.477 372 Y N 2.514 122.840 120.300 0.043 0.000 2.511 372 Y HA 0.048 4.598 4.550 0.002 0.000 0.332 372 Y C -0.149 175.788 175.900 0.062 0.000 1.177 372 Y CA 0.224 58.343 58.100 0.030 0.000 1.422 372 Y CB 0.522 38.979 38.460 -0.006 0.000 1.271 372 Y HN -0.132 nan 8.280 nan 0.000 0.550 373 E N 7.850 127.599 120.200 -0.753 0.000 2.256 373 E HA 0.308 4.659 4.350 0.002 0.000 0.268 373 E C -2.644 173.422 176.600 -0.891 0.000 0.877 373 E CA -2.104 53.943 56.400 -0.590 0.000 0.757 373 E CB 1.672 31.218 29.700 -0.257 0.000 1.183 373 E HN 0.526 nan 8.360 nan 0.000 0.418 374 P HA 0.196 nan 4.420 nan 0.000 0.276 374 P C -0.398 176.816 177.300 -0.143 0.000 1.244 374 P CA -0.451 62.466 63.100 -0.304 0.000 0.801 374 P CB 1.002 32.679 31.700 -0.038 0.000 1.006 375 D N 0.816 121.186 120.400 -0.051 0.000 2.368 375 D HA -0.003 4.638 4.640 0.002 0.000 0.240 375 D C 1.139 177.432 176.300 -0.011 0.000 1.169 375 D CA 0.038 54.024 54.000 -0.023 0.000 0.906 375 D CB 0.350 41.156 40.800 0.011 0.000 1.187 375 D HN 0.301 nan 8.370 nan 0.000 0.435 376 D N 0.078 120.473 120.400 -0.010 0.000 2.117 376 D HA -0.087 4.553 4.640 0.002 0.000 0.197 376 D C 0.280 176.587 176.300 0.012 0.000 0.987 376 D CA 1.061 55.060 54.000 -0.002 0.000 0.829 376 D CB 0.115 40.912 40.800 -0.005 0.000 0.961 376 D HN 0.303 nan 8.370 nan 0.000 0.460 377 N N 1.400 120.109 118.700 0.015 0.000 2.509 377 N HA 0.220 4.961 4.740 0.002 0.000 0.287 377 N C -0.222 175.306 175.510 0.030 0.000 1.121 377 N CA -0.069 52.994 53.050 0.023 0.000 0.977 377 N CB 1.613 40.113 38.487 0.021 0.000 1.167 377 N HN 0.229 nan 8.380 nan 0.000 0.476 378 E N 0.679 120.900 120.200 0.035 0.000 2.314 378 E HA 0.590 4.941 4.350 0.002 0.000 0.272 378 E C -0.967 175.656 176.600 0.039 0.000 0.884 378 E CA -0.678 55.745 56.400 0.038 0.000 0.753 378 E CB 1.747 31.475 29.700 0.047 0.000 1.213 378 E HN 0.364 nan 8.360 nan 0.000 0.432 379 I N 1.873 122.466 120.570 0.037 0.000 2.603 379 I HA 0.524 4.694 4.170 0.002 0.000 0.300 379 I C -0.320 175.824 176.117 0.044 0.000 1.017 379 I CA -1.122 60.203 61.300 0.041 0.000 1.098 379 I CB 1.939 39.965 38.000 0.043 0.000 1.279 379 I HN 0.604 nan 8.210 nan 0.000 0.437 380 R N 2.161 122.691 120.500 0.049 0.000 2.673 380 R HA 0.671 5.012 4.340 0.002 0.000 0.281 380 R C -1.518 174.817 176.300 0.059 0.000 0.991 380 R CA -0.684 55.450 56.100 0.056 0.000 0.896 380 R CB 1.667 32.001 30.300 0.057 0.000 1.201 380 R HN 0.394 nan 8.270 nan 0.000 0.457 381 T N 3.523 118.118 114.554 0.067 0.000 2.767 381 T HA 0.446 4.797 4.350 0.002 0.000 0.284 381 T C -0.768 173.976 174.700 0.074 0.000 0.973 381 T CA -0.449 61.691 62.100 0.067 0.000 0.996 381 T CB 0.729 69.638 68.868 0.068 0.000 0.927 381 T HN 0.293 nan 8.240 nan 0.000 0.456 382 L N 4.074 125.346 121.223 0.081 0.000 2.404 382 L HA 0.399 4.740 4.340 0.002 0.000 0.272 382 L C -0.311 176.668 176.870 0.182 0.000 0.980 382 L CA -0.667 54.237 54.840 0.107 0.000 0.836 382 L CB 1.081 43.188 42.059 0.081 0.000 1.238 382 L HN 0.702 nan 8.230 nan 0.000 0.408 383 Y N 4.306 124.611 120.300 0.009 0.000 3.305 383 Y HA -0.256 4.295 4.550 0.002 0.000 0.212 383 Y C 1.260 177.166 175.900 0.010 0.000 1.248 383 Y CA 1.240 59.343 58.100 0.006 0.000 1.359 383 Y CB -1.129 37.331 38.460 0.001 0.000 1.407 383 Y HN 0.939 nan 8.280 nan 0.000 0.572 384 G N -0.628 108.177 108.800 0.008 0.000 2.184 384 G HA2 -0.305 3.656 3.960 0.002 0.000 0.264 384 G HA3 -0.305 3.656 3.960 0.002 0.000 0.264 384 G C 0.193 175.073 174.900 -0.032 0.000 0.975 384 G CA 0.280 45.345 45.100 -0.058 0.000 0.642 384 G HN 0.669 nan 8.290 nan 0.000 0.536 385 L N -0.410 120.818 121.223 0.007 0.000 2.334 385 L HA 0.711 5.052 4.340 0.002 0.000 0.272 385 L C 0.188 177.081 176.870 0.038 0.000 1.020 385 L CA -1.183 53.669 54.840 0.019 0.000 0.812 385 L CB 1.531 43.610 42.059 0.033 0.000 1.264 385 L HN -0.017 nan 8.230 nan 0.000 0.439 386 Q N 1.837 121.657 119.800 0.034 0.000 2.257 386 Q HA 0.634 4.975 4.340 0.002 0.000 0.255 386 Q C -0.845 175.178 176.000 0.039 0.000 0.920 386 Q CA 0.070 55.897 55.803 0.040 0.000 0.927 386 Q CB 2.014 30.776 28.738 0.039 0.000 1.229 386 Q HN 0.408 nan 8.270 nan 0.000 0.433 390 K N 2.017 122.432 120.400 0.025 0.000 2.298 390 K HA 0.250 4.571 4.320 0.002 0.000 0.280 390 K C -0.243 176.373 176.600 0.027 0.000 1.032 390 K CA -0.222 56.077 56.287 0.020 0.000 0.958 390 K CB 0.804 33.310 32.500 0.011 0.000 0.978 390 K HN 0.798 nan 8.250 nan 0.000 0.472 391 R N 2.482 123.001 120.500 0.031 0.000 2.863 391 R HA 0.028 4.369 4.340 0.002 0.000 0.273 391 R C 0.034 176.351 176.300 0.028 0.000 1.057 391 R CA -0.411 55.714 56.100 0.043 0.000 1.191 391 R CB 0.068 30.400 30.300 0.053 0.000 1.104 391 R HN 0.473 nan 8.270 nan 0.000 0.519 392 N N 1.036 119.753 118.700 0.029 0.000 2.482 392 N HA 0.022 4.763 4.740 0.002 0.000 0.242 392 N C -0.949 174.552 175.510 -0.014 0.000 1.100 392 N CA -0.151 52.893 53.050 -0.010 0.000 0.946 392 N CB 0.147 38.608 38.487 -0.044 0.000 1.227 392 N HN 0.497 nan 8.380 nan 0.000 0.508 393 N N 1.265 119.957 118.700 -0.014 0.000 2.251 393 N HA 0.097 4.837 4.740 0.002 0.000 0.217 393 N C -0.310 175.182 175.510 -0.030 0.000 1.124 393 N CA -0.161 52.882 53.050 -0.011 0.000 0.843 393 N CB 0.461 38.942 38.487 -0.011 0.000 1.024 393 N HN 0.497 nan 8.380 nan 0.000 0.501 394 A N 0.666 123.457 122.820 -0.048 0.000 2.524 394 A HA 0.209 4.530 4.320 0.002 0.000 0.250 394 A C 0.480 178.027 177.584 -0.061 0.000 1.078 394 A CA -0.023 51.976 52.037 -0.063 0.000 0.761 394 A CB 0.248 19.199 19.000 -0.082 0.000 1.012 394 A HN 0.021 nan 8.150 nan 0.000 0.500 395 V N 4.733 124.608 119.914 -0.064 0.000 2.461 395 V HA 0.174 4.295 4.120 0.002 0.000 0.275 395 V C 0.198 176.236 176.094 -0.093 0.000 1.047 395 V CA -0.368 61.894 62.300 -0.064 0.000 0.955 395 V CB 1.045 32.832 31.823 -0.060 0.000 0.988 395 V HN 0.646 nan 8.190 nan 0.000 0.471 396 I N 6.123 126.643 120.570 -0.082 0.000 2.306 396 I HA 0.451 4.622 4.170 0.002 0.000 0.288 396 I C -0.157 175.891 176.117 -0.115 0.000 1.036 396 I CA -0.066 61.165 61.300 -0.114 0.000 1.221 396 I CB 0.826 38.792 38.000 -0.058 0.000 1.385 396 I HN 0.844 nan 8.210 nan 0.000 0.472 397 D N 5.372 125.659 120.400 -0.190 0.000 2.867 397 D HA 0.327 4.968 4.640 0.002 0.000 0.308 397 D C 0.740 176.902 176.300 -0.230 0.000 1.202 397 D CA -0.694 53.221 54.000 -0.143 0.000 1.035 397 D CB 0.780 41.521 40.800 -0.098 0.000 1.427 397 D HN 0.152 nan 8.370 nan 0.000 0.570 398 R N -0.307 120.132 120.500 -0.103 0.000 2.127 398 R HA -0.064 4.277 4.340 0.002 0.000 0.238 398 R C 1.981 178.203 176.300 -0.129 0.000 1.134 398 R CA 1.811 57.885 56.100 -0.044 0.000 0.975 398 R CB -0.408 29.902 30.300 0.017 0.000 0.865 398 R HN 0.586 nan 8.270 nan 0.000 0.447 399 S N 0.678 116.282 115.700 -0.159 0.000 2.507 399 S HA -0.078 4.393 4.470 0.002 0.000 0.235 399 S C 1.816 176.280 174.600 -0.226 0.000 0.988 399 S CA 0.569 58.683 58.200 -0.142 0.000 0.944 399 S CB -0.084 63.053 63.200 -0.106 0.000 0.762 399 S HN 0.220 nan 8.310 nan 0.000 0.526 400 L N 0.302 121.254 121.223 -0.453 0.000 2.376 400 L HA 0.339 4.680 4.340 0.002 0.000 0.219 400 L C 0.506 177.080 176.870 -0.493 0.000 1.133 400 L CA 1.214 55.725 54.840 -0.548 0.000 0.816 400 L CB -0.686 40.912 42.059 -0.769 0.000 0.933 400 L HN 0.309 nan 8.230 nan 0.000 0.449 401 F N -1.375 118.564 119.950 -0.019 0.000 2.684 401 F HA 0.288 4.816 4.527 0.001 0.000 0.298 401 F C 1.633 177.427 175.800 -0.010 0.000 1.120 401 F CA -0.483 57.509 58.000 -0.014 0.000 1.332 401 F CB -0.579 38.407 39.000 -0.024 0.000 0.986 401 F HN -0.083 nan 8.300 nan 0.000 0.524 402 K N 0.062 120.512 120.400 0.083 0.000 2.296 402 K HA -0.058 4.263 4.320 0.002 0.000 0.200 402 K C 0.487 177.121 176.600 0.056 0.000 1.048 402 K CA 0.427 56.748 56.287 0.056 0.000 0.966 402 K CB -0.175 32.333 32.500 0.013 0.000 0.754 402 K HN 0.143 nan 8.250 nan 0.000 0.466 403 N N 1.526 120.266 118.700 0.067 0.000 3.083 403 N HA 0.135 4.876 4.740 0.002 0.000 0.260 403 N C -1.007 174.545 175.510 0.070 0.000 1.163 403 N CA -0.099 52.988 53.050 0.062 0.000 1.060 403 N CB -0.222 38.303 38.487 0.062 0.000 1.345 403 N HN -0.006 nan 8.380 nan 0.000 0.515 404 I N 2.498 123.100 120.570 0.053 0.000 2.322 404 I HA 0.021 4.192 4.170 0.002 0.000 0.292 404 I C 1.437 177.560 176.117 0.009 0.000 1.060 404 I CA -0.482 60.838 61.300 0.034 0.000 1.309 404 I CB 1.061 39.082 38.000 0.036 0.000 1.415 404 I HN 0.259 nan 8.210 nan 0.000 0.492 405 V N 1.746 121.645 119.914 -0.025 0.000 3.608 405 V HA 0.042 4.163 4.120 0.002 0.000 0.269 405 V C 1.027 177.096 176.094 -0.042 0.000 1.245 405 V CA 0.134 62.413 62.300 -0.036 0.000 1.138 405 V CB -0.934 30.845 31.823 -0.073 0.000 0.841 405 V HN 0.765 nan 8.190 nan 0.000 0.451 406 T N -2.669 111.859 114.554 -0.042 0.000 2.847 406 T HA 0.341 4.692 4.350 0.002 0.000 0.279 406 T C 0.879 175.569 174.700 -0.016 0.000 0.984 406 T CA -0.377 61.702 62.100 -0.034 0.000 0.988 406 T CB 1.776 70.621 68.868 -0.038 0.000 1.040 406 T HN 0.189 nan 8.240 nan 0.000 0.528 407 K N 0.590 120.981 120.400 -0.016 0.000 2.001 407 K HA -0.169 4.152 4.320 0.002 0.000 0.223 407 K C 0.856 177.454 176.600 -0.003 0.000 1.055 407 K CA 1.728 58.010 56.287 -0.009 0.000 0.965 407 K CB -0.208 32.285 32.500 -0.012 0.000 0.730 407 K HN 0.603 nan 8.250 nan 0.000 0.449 408 N N 0.764 119.463 118.700 -0.002 0.000 2.518 408 N HA -0.003 4.738 4.740 0.002 0.000 0.254 408 N C -0.047 175.475 175.510 0.019 0.000 0.979 408 N CA -0.054 53.000 53.050 0.007 0.000 0.930 408 N CB 1.336 39.826 38.487 0.005 0.000 1.152 408 N HN -0.057 nan 8.380 nan 0.000 0.505 409 K N 2.390 122.803 120.400 0.023 0.000 2.588 409 K HA -0.156 4.165 4.320 0.002 0.000 0.197 409 K C -0.022 176.607 176.600 0.049 0.000 1.047 409 K CA 0.516 56.822 56.287 0.032 0.000 0.927 409 K CB -1.032 31.482 32.500 0.024 0.000 0.770 409 K HN 0.654 nan 8.250 nan 0.000 0.497 410 T N 1.279 115.872 114.554 0.065 0.000 2.672 410 T HA -0.085 4.266 4.350 0.002 0.000 0.225 410 T C -0.145 174.643 174.700 0.146 0.000 1.120 410 T CA -0.035 62.126 62.100 0.101 0.000 2.445 410 T CB -0.802 68.141 68.868 0.125 0.000 1.053 410 T HN 0.205 nan 8.240 nan 0.000 0.464 411 L N 7.735 128.971 121.223 0.021 0.000 2.445 411 L HA 0.503 4.844 4.340 0.002 0.000 0.252 411 L C -2.259 174.505 176.870 -0.177 0.000 1.105 411 L CA -1.970 52.801 54.840 -0.116 0.000 0.943 411 L CB 1.334 43.340 42.059 -0.089 0.000 1.277 411 L HN 0.358 nan 8.230 nan 0.000 0.465 412 P HA 0.115 nan 4.420 nan 0.000 0.268 412 P C 0.488 177.648 177.300 -0.233 0.000 1.205 412 P CA -0.171 62.806 63.100 -0.205 0.000 0.771 412 P CB 0.761 32.328 31.700 -0.222 0.000 0.858 413 E N 1.023 121.140 120.200 -0.137 0.000 2.171 413 E HA -0.175 4.176 4.350 0.002 0.000 0.197 413 E C 1.789 178.305 176.600 -0.139 0.000 0.997 413 E CA 1.887 58.221 56.400 -0.111 0.000 0.810 413 E CB -0.632 29.032 29.700 -0.060 0.000 0.738 413 E HN 0.582 nan 8.360 nan 0.000 0.467 414 S N 0.704 116.311 115.700 -0.155 0.000 2.382 414 S HA -0.048 4.423 4.470 0.002 0.000 0.228 414 S C 2.196 176.649 174.600 -0.245 0.000 1.027 414 S CA 1.101 59.212 58.200 -0.149 0.000 0.991 414 S CB -0.145 62.990 63.200 -0.108 0.000 0.823 414 S HN 0.274 nan 8.310 nan 0.000 0.469 415 A N 1.451 124.004 122.820 -0.446 0.000 1.898 415 A HA 0.191 4.512 4.320 0.002 0.000 0.214 415 A C 2.390 179.679 177.584 -0.493 0.000 1.183 415 A CA 1.220 52.850 52.037 -0.679 0.000 0.622 415 A CB -0.999 17.095 19.000 -1.509 0.000 0.824 415 A HN 0.417 nan 8.150 nan 0.000 0.444 416 V N 0.426 120.107 119.914 -0.389 0.000 2.332 416 V HA -0.288 3.833 4.120 0.002 0.000 0.248 416 V C 2.665 178.678 176.094 -0.134 0.000 1.055 416 V CA 2.385 64.519 62.300 -0.277 0.000 1.038 416 V CB -0.836 30.941 31.823 -0.077 0.000 0.651 416 V HN 0.678 nan 8.190 nan 0.000 0.450 417 R N 0.142 120.577 120.500 -0.108 0.000 2.070 417 R HA -0.196 4.144 4.340 0.002 0.000 0.233 417 R C 2.058 178.326 176.300 -0.054 0.000 1.137 417 R CA 2.247 58.318 56.100 -0.048 0.000 0.945 417 R CB -0.435 29.837 30.300 -0.046 0.000 0.845 417 R HN 0.504 nan 8.270 nan 0.000 0.430 418 D N 0.629 120.967 120.400 -0.103 0.000 2.144 418 D HA -0.139 4.502 4.640 0.002 0.000 0.199 418 D C 2.018 178.269 176.300 -0.081 0.000 0.984 418 D CA 0.985 54.935 54.000 -0.082 0.000 0.834 418 D CB -0.132 40.616 40.800 -0.087 0.000 0.955 418 D HN 0.301 nan 8.370 nan 0.000 0.465 419 L N 0.285 121.409 121.223 -0.165 0.000 2.141 419 L HA -0.054 4.287 4.340 0.002 0.000 0.209 419 L C 2.436 179.351 176.870 0.075 0.000 1.094 419 L CA 0.515 55.254 54.840 -0.168 0.000 0.763 419 L CB -0.139 41.540 42.059 -0.633 0.000 0.908 419 L HN 0.001 nan 8.230 nan 0.000 0.437 420 I N -1.135 119.519 120.570 0.140 0.000 2.286 420 I HA -0.227 3.944 4.170 0.002 0.000 0.245 420 I C 2.407 178.586 176.117 0.102 0.000 1.104 420 I CA 0.817 62.244 61.300 0.212 0.000 1.397 420 I CB -0.131 37.977 38.000 0.179 0.000 1.072 420 I HN 0.004 nan 8.210 nan 0.000 0.417 421 V N 1.116 121.062 119.914 0.054 0.000 2.295 421 V HA -0.301 3.820 4.120 0.002 0.000 0.246 421 V C 2.725 178.844 176.094 0.041 0.000 1.049 421 V CA 2.090 64.412 62.300 0.038 0.000 1.024 421 V CB -0.975 30.856 31.823 0.014 0.000 0.648 421 V HN 0.488 nan 8.190 nan 0.000 0.447 422 A N -0.473 122.364 122.820 0.028 0.000 1.902 422 A HA -0.198 4.123 4.320 0.002 0.000 0.217 422 A C 2.474 180.081 177.584 0.037 0.000 1.181 422 A CA 2.281 54.332 52.037 0.022 0.000 0.623 422 A CB -0.654 18.344 19.000 -0.003 0.000 0.818 422 A HN 0.519 nan 8.150 nan 0.000 0.443 423 S N -0.218 115.519 115.700 0.062 0.000 2.368 423 S HA -0.043 4.428 4.470 0.002 0.000 0.224 423 S C 1.794 176.415 174.600 0.036 0.000 1.029 423 S CA 1.335 59.568 58.200 0.056 0.000 0.988 423 S CB -0.425 62.841 63.200 0.109 0.000 0.838 423 S HN 0.540 nan 8.310 nan 0.000 0.462 424 I N 1.688 122.296 120.570 0.064 0.000 2.315 424 I HA -0.165 4.006 4.170 0.002 0.000 0.248 424 I C 2.703 178.911 176.117 0.152 0.000 1.117 424 I CA 0.911 62.270 61.300 0.099 0.000 1.404 424 I CB -0.529 37.536 38.000 0.108 0.000 1.071 424 I HN 0.255 nan 8.210 nan 0.000 0.419 425 A N 0.616 123.504 122.820 0.115 0.000 1.865 425 A HA -0.176 4.145 4.320 0.002 0.000 0.217 425 A C 2.463 180.099 177.584 0.087 0.000 1.191 425 A CA 1.803 53.913 52.037 0.122 0.000 0.623 425 A CB -1.065 17.978 19.000 0.071 0.000 0.826 425 A HN 0.218 nan 8.150 nan 0.000 0.444 426 V N 0.384 120.319 119.914 0.035 0.000 2.392 426 V HA -0.284 3.837 4.120 0.002 0.000 0.249 426 V C 2.565 178.621 176.094 -0.064 0.000 1.059 426 V CA 2.432 64.732 62.300 0.001 0.000 1.051 426 V CB -0.604 31.215 31.823 -0.007 0.000 0.658 426 V HN 0.718 nan 8.190 nan 0.000 0.455 427 K N -0.888 119.431 120.400 -0.134 0.000 2.211 427 K HA -0.198 4.123 4.320 0.002 0.000 0.204 427 K C 1.048 177.203 176.600 -0.742 0.000 1.047 427 K CA 1.753 57.806 56.287 -0.390 0.000 0.935 427 K CB -0.093 32.131 32.500 -0.460 0.000 0.728 427 K HN 0.587 nan 8.250 nan 0.000 0.452 428 Y N 0.084 120.286 120.300 -0.164 0.000 2.720 428 Y HA 0.222 4.773 4.550 0.001 0.000 0.277 428 Y C -0.404 175.502 175.900 0.010 0.000 1.144 428 Y CA -0.370 57.589 58.100 -0.235 0.000 1.221 428 Y CB 1.045 39.528 38.460 0.038 0.000 1.163 428 Y HN -0.196 nan 8.280 nan 0.000 0.537 429 T N 1.475 116.085 114.554 0.092 0.000 2.823 429 T HA 0.241 4.592 4.350 0.002 0.000 0.279 429 T C -0.181 174.635 174.700 0.194 0.000 0.998 429 T CA -0.880 61.297 62.100 0.128 0.000 0.994 429 T CB 1.184 70.078 68.868 0.044 0.000 0.960 429 T HN -0.062 nan 8.240 nan 0.000 0.448 430 Q N 1.944 121.846 119.800 0.169 0.000 2.286 430 Q HA 0.181 4.522 4.340 0.002 0.000 0.290 430 Q C 0.283 176.247 176.000 -0.060 0.000 1.049 430 Q CA 0.266 56.093 55.803 0.039 0.000 0.923 430 Q CB 0.440 29.217 28.738 0.064 0.000 1.183 430 Q HN 0.589 nan 8.270 nan 0.000 0.383 431 S N 2.389 117.909 115.700 -0.300 0.000 2.603 431 S HA 0.170 4.641 4.470 0.002 0.000 0.268 431 S C 0.455 174.995 174.600 -0.100 0.000 1.317 431 S CA -0.771 57.267 58.200 -0.271 0.000 1.012 431 S CB 0.448 63.317 63.200 -0.552 0.000 0.926 431 S HN 0.662 nan 8.310 nan 0.000 0.539 432 N N 0.350 119.002 118.700 -0.080 0.000 2.445 432 N HA 0.463 5.204 4.740 0.002 0.000 0.264 432 N C -0.884 174.633 175.510 0.011 0.000 1.227 432 N CA -0.590 52.420 53.050 -0.068 0.000 0.963 432 N CB 0.434 38.901 38.487 -0.034 0.000 1.188 432 N HN 0.497 nan 8.380 nan 0.000 0.491 433 S N -1.519 114.209 115.700 0.046 0.000 2.579 433 S HA 0.744 5.215 4.470 0.002 0.000 0.272 433 S C -1.156 173.479 174.600 0.060 0.000 1.141 433 S CA -0.868 57.365 58.200 0.054 0.000 0.843 433 S CB 1.308 64.533 63.200 0.040 0.000 1.122 433 S HN 0.472 nan 8.310 nan 0.000 0.468 434 V N 0.497 120.455 119.914 0.073 0.000 2.888 434 V HA 0.718 4.839 4.120 0.002 0.000 0.309 434 V C -0.968 175.164 176.094 0.062 0.000 1.114 434 V CA -0.647 61.689 62.300 0.060 0.000 0.940 434 V CB 1.733 33.622 31.823 0.111 0.000 1.021 434 V HN 1.263 nan 8.190 nan 0.000 0.426 435 C N 5.115 124.413 119.300 -0.004 0.000 2.535 435 C HA 0.774 5.234 4.460 0.002 0.000 0.319 435 C C -1.280 173.686 174.990 -0.039 0.000 1.171 435 C CA -0.586 58.455 59.018 0.039 0.000 1.394 435 C CB 0.657 28.415 27.740 0.030 0.000 1.990 435 C HN 0.788 nan 8.230 nan 0.000 0.466 436 Y N 3.652 123.942 120.300 -0.016 0.000 2.342 436 Y HA 0.657 5.208 4.550 0.001 0.000 0.334 436 Y C 0.638 176.476 175.900 -0.104 0.000 1.067 436 Y CA 0.029 58.102 58.100 -0.046 0.000 1.128 436 Y CB 1.569 39.996 38.460 -0.056 0.000 1.200 436 Y HN 0.967 nan 8.280 nan 0.000 0.464 437 A N 3.713 126.547 122.820 0.023 0.000 2.435 437 A HA 0.873 5.193 4.320 0.002 0.000 0.304 437 A C -1.206 176.324 177.584 -0.091 0.000 1.064 437 A CA -0.869 51.128 52.037 -0.066 0.000 0.727 437 A CB 1.974 20.948 19.000 -0.044 0.000 1.284 437 A HN 0.714 nan 8.150 nan 0.000 0.415 438 K N 1.030 121.337 120.400 -0.154 0.000 2.562 438 K HA 0.427 4.748 4.320 0.002 0.000 0.267 438 K C -1.345 175.216 176.600 -0.065 0.000 0.938 438 K CA -0.440 55.780 56.287 -0.112 0.000 0.840 438 K CB 1.233 33.636 32.500 -0.161 0.000 1.390 438 K HN 0.616 nan 8.250 nan 0.000 0.428 439 D N 2.391 122.794 120.400 0.004 0.000 2.708 439 D HA -0.181 4.460 4.640 0.002 0.000 0.236 439 D C 0.541 176.864 176.300 0.038 0.000 1.146 439 D CA 2.073 56.104 54.000 0.053 0.000 0.662 439 D CB -1.233 39.650 40.800 0.139 0.000 1.059 439 D HN 1.070 nan 8.370 nan 0.000 0.428 440 G N -0.116 108.686 108.800 0.004 0.000 2.153 440 G HA2 -0.316 3.645 3.960 0.002 0.000 0.252 440 G HA3 -0.316 3.645 3.960 0.002 0.000 0.252 440 G C 0.155 175.057 174.900 0.004 0.000 0.994 440 G CA 1.187 46.291 45.100 0.007 0.000 0.698 440 G HN 0.826 nan 8.290 nan 0.000 0.521 441 Q N -1.509 118.274 119.800 -0.028 0.000 2.501 441 Q HA 0.740 5.080 4.340 0.002 0.000 0.288 441 Q C -0.605 175.326 176.000 -0.114 0.000 1.051 441 Q CA -1.196 54.580 55.803 -0.045 0.000 0.788 441 Q CB 2.002 30.725 28.738 -0.026 0.000 1.469 441 Q HN 0.333 nan 8.270 nan 0.000 0.416 442 V N 2.853 122.712 119.914 -0.092 0.000 2.572 442 V HA 0.089 4.210 4.120 0.002 0.000 0.291 442 V C 0.892 176.834 176.094 -0.253 0.000 1.039 442 V CA 0.325 62.561 62.300 -0.107 0.000 1.055 442 V CB 0.529 32.329 31.823 -0.038 0.000 0.969 442 V HN 0.837 nan 8.190 nan 0.000 0.482 443 I N 1.427 121.801 120.570 -0.328 0.000 4.327 443 I HA 0.660 4.830 4.170 0.002 0.000 0.331 443 I C 0.730 176.713 176.117 -0.224 0.000 1.348 443 I CA 0.134 61.061 61.300 -0.621 0.000 1.152 443 I CB 0.911 38.225 38.000 -1.143 0.000 1.151 443 I HN 0.616 nan 8.210 nan 0.000 0.410 444 G N 2.417 111.185 108.800 -0.054 0.000 2.552 444 G HA2 0.603 4.564 3.960 0.002 0.000 0.288 444 G HA3 0.603 4.564 3.960 0.002 0.000 0.288 444 G C -1.829 173.163 174.900 0.154 0.000 1.358 444 G CA -0.290 44.833 45.100 0.040 0.000 1.305 444 G HN 0.166 nan 8.290 nan 0.000 0.602 445 I N 1.706 122.344 120.570 0.113 0.000 2.686 445 I HA 0.819 4.990 4.170 0.002 0.000 0.295 445 I C 0.019 176.198 176.117 0.105 0.000 1.114 445 I CA -0.947 60.423 61.300 0.117 0.000 1.038 445 I CB 2.305 40.342 38.000 0.062 0.000 1.238 445 I HN 0.649 nan 8.210 nan 0.000 0.420 446 G N 4.978 113.845 108.800 0.111 0.000 2.452 446 G HA2 0.823 4.783 3.960 0.002 0.000 0.324 446 G HA3 0.823 4.783 3.960 0.002 0.000 0.324 446 G C -1.576 173.366 174.900 0.071 0.000 1.214 446 G CA -0.451 44.707 45.100 0.097 0.000 0.947 446 G HN 0.846 nan 8.290 nan 0.000 0.478 447 A N 0.308 123.164 122.820 0.059 0.000 2.498 447 A HA 0.836 5.157 4.320 0.002 0.000 0.298 447 A C 0.861 178.471 177.584 0.044 0.000 1.075 447 A CA 0.201 52.266 52.037 0.046 0.000 0.714 447 A CB 1.291 20.316 19.000 0.041 0.000 1.299 447 A HN 2.525 nan 8.150 nan 0.000 0.407 448 G N 0.295 109.117 108.800 0.037 0.000 2.187 448 G HA2 -0.211 3.750 3.960 0.002 0.000 0.261 448 G HA3 -0.211 3.750 3.960 0.002 0.000 0.261 448 G C 0.216 175.136 174.900 0.033 0.000 1.000 448 G CA 0.795 45.922 45.100 0.045 0.000 0.718 448 G HN 0.804 nan 8.290 nan 0.000 0.519 449 Q N -0.923 118.895 119.800 0.030 0.000 2.318 449 Q HA 0.482 4.823 4.340 0.002 0.000 0.222 449 Q C 1.419 177.421 176.000 0.004 0.000 1.003 449 Q CA -0.052 55.768 55.803 0.029 0.000 0.936 449 Q CB 0.503 29.278 28.738 0.063 0.000 1.204 449 Q HN 0.635 nan 8.270 nan 0.000 0.524 450 Q N -0.490 119.307 119.800 -0.006 0.000 2.322 450 Q HA 0.163 4.504 4.340 0.002 0.000 0.250 450 Q C 0.126 176.118 176.000 -0.013 0.000 0.853 450 Q CA 0.029 55.814 55.803 -0.030 0.000 0.951 450 Q CB 1.070 29.777 28.738 -0.052 0.000 1.114 450 Q HN 0.454 nan 8.270 nan 0.000 0.523 451 S N -0.135 115.575 115.700 0.018 0.000 2.472 451 S HA 0.365 4.836 4.470 0.002 0.000 0.303 451 S C 0.361 175.066 174.600 0.175 0.000 1.099 451 S CA -0.591 57.663 58.200 0.091 0.000 1.077 451 S CB 1.759 64.996 63.200 0.061 0.000 1.031 451 S HN 0.118 nan 8.310 nan 0.000 0.487 452 R N 3.287 123.893 120.500 0.177 0.000 2.070 452 R HA 0.006 4.347 4.340 0.002 0.000 0.233 452 R C 1.922 178.361 176.300 0.231 0.000 1.137 452 R CA 2.191 58.408 56.100 0.195 0.000 0.945 452 R CB -1.163 29.255 30.300 0.197 0.000 0.845 452 R HN 0.752 nan 8.270 nan 0.000 0.430 453 I N 0.438 121.152 120.570 0.239 0.000 2.286 453 I HA -0.218 3.953 4.170 0.002 0.000 0.248 453 I C 1.386 177.542 176.117 0.065 0.000 1.115 453 I CA 1.765 63.148 61.300 0.139 0.000 1.392 453 I CB -0.429 37.624 38.000 0.089 0.000 1.065 453 I HN 0.290 nan 8.210 nan 0.000 0.418 454 H N -1.532 117.595 119.070 0.094 0.000 2.423 454 H HA -0.109 4.448 4.556 0.002 0.000 0.297 454 H C 2.407 177.787 175.328 0.087 0.000 1.075 454 H CA 1.642 57.736 56.048 0.077 0.000 1.342 454 H CB -0.735 29.063 29.762 0.061 0.000 1.395 454 H HN 0.457 nan 8.280 nan 0.000 0.530 455 C N 0.100 119.526 119.300 0.210 0.000 2.466 455 C HA -0.111 4.350 4.460 0.002 0.000 0.278 455 C C 2.695 177.794 174.990 0.181 0.000 1.288 455 C CA 1.463 60.582 59.018 0.169 0.000 1.722 455 C CB -0.920 26.908 27.740 0.147 0.000 2.017 455 C HN 0.572 nan 8.230 nan 0.000 0.488 456 T N 0.383 115.049 114.554 0.187 0.000 2.788 456 T HA -0.150 4.201 4.350 0.002 0.000 0.268 456 T C 1.948 176.776 174.700 0.213 0.000 1.044 456 T CA 1.404 63.632 62.100 0.214 0.000 1.139 456 T CB -0.261 68.694 68.868 0.144 0.000 0.867 456 T HN 0.605 nan 8.240 nan 0.000 0.454 457 R N 0.112 120.679 120.500 0.112 0.000 2.073 457 R HA 0.064 4.405 4.340 0.002 0.000 0.229 457 R C 2.381 178.722 176.300 0.068 0.000 1.120 457 R CA 0.799 56.935 56.100 0.060 0.000 0.967 457 R CB -0.500 29.790 30.300 -0.017 0.000 0.862 457 R HN 0.231 nan 8.270 nan 0.000 0.436 458 L N 0.802 122.082 121.223 0.096 0.000 1.994 458 L HA -0.088 4.253 4.340 0.002 0.000 0.208 458 L C 2.232 179.155 176.870 0.089 0.000 1.071 458 L CA 2.074 56.968 54.840 0.090 0.000 0.745 458 L CB -0.664 41.458 42.059 0.105 0.000 0.892 458 L HN 0.120 nan 8.230 nan 0.000 0.431 459 A N -0.604 122.306 122.820 0.149 0.000 1.933 459 A HA -0.036 4.285 4.320 0.002 0.000 0.218 459 A C 2.316 179.878 177.584 -0.038 0.000 1.175 459 A CA 1.427 53.570 52.037 0.176 0.000 0.628 459 A CB -1.563 17.662 19.000 0.375 0.000 0.814 459 A HN 0.553 nan 8.150 nan 0.000 0.444 460 G N -0.264 108.485 108.800 -0.085 0.000 2.422 460 G HA2 -0.214 3.747 3.960 0.002 0.000 0.218 460 G HA3 -0.214 3.747 3.960 0.002 0.000 0.218 460 G C 1.090 175.847 174.900 -0.239 0.000 1.146 460 G CA 1.176 45.998 45.100 -0.463 0.000 0.769 460 G HN 0.453 nan 8.290 nan 0.000 0.547 461 D N 0.473 120.829 120.400 -0.074 0.000 2.219 461 D HA -0.010 4.631 4.640 0.002 0.000 0.205 461 D C 2.452 178.763 176.300 0.019 0.000 0.970 461 D CA 0.644 54.636 54.000 -0.013 0.000 0.851 461 D CB -0.043 40.766 40.800 0.016 0.000 0.943 461 D HN 0.305 nan 8.370 nan 0.000 0.488 462 K N 0.593 121.000 120.400 0.012 0.000 2.097 462 K HA 0.017 4.338 4.320 0.002 0.000 0.205 462 K C 2.097 178.757 176.600 0.100 0.000 1.050 462 K CA 0.957 57.284 56.287 0.067 0.000 0.938 462 K CB 0.003 32.544 32.500 0.068 0.000 0.718 462 K HN 0.009 nan 8.250 nan 0.000 0.442 463 A N 2.057 124.862 122.820 -0.025 0.000 1.930 463 A HA -0.180 4.141 4.320 0.002 0.000 0.217 463 A C 1.786 179.500 177.584 0.215 0.000 1.175 463 A CA 1.487 53.537 52.037 0.022 0.000 0.627 463 A CB -0.433 18.372 19.000 -0.325 0.000 0.815 463 A HN 0.218 nan 8.150 nan 0.000 0.443 464 N N 0.468 119.241 118.700 0.122 0.000 2.069 464 N HA -0.108 4.633 4.740 0.002 0.000 0.191 464 N C 1.973 177.661 175.510 0.296 0.000 1.031 464 N CA 1.692 54.870 53.050 0.214 0.000 0.852 464 N CB -0.508 38.052 38.487 0.122 0.000 1.018 464 N HN 0.436 nan 8.380 nan 0.000 0.423 465 S N -0.068 115.775 115.700 0.239 0.000 2.356 465 S HA -0.147 4.324 4.470 0.002 0.000 0.223 465 S C 1.624 176.418 174.600 0.323 0.000 1.032 465 S CA 0.926 59.266 58.200 0.234 0.000 1.005 465 S CB -0.408 62.903 63.200 0.185 0.000 0.867 465 S HN 0.573 nan 8.310 nan 0.000 0.449 466 W N 1.475 122.909 121.300 0.224 0.000 2.335 466 W HA -0.151 4.510 4.660 0.001 0.000 0.311 466 W C 2.175 178.991 176.519 0.495 0.000 1.213 466 W CA 1.372 58.899 57.345 0.303 0.000 1.274 466 W CB -0.539 29.067 29.460 0.244 0.000 1.148 466 W HN 0.425 nan 8.180 nan 0.000 0.498 467 W N 0.480 121.945 121.300 0.275 0.000 2.388 467 W HA -0.193 4.467 4.660 0.001 0.000 0.294 467 W C 1.803 178.548 176.519 0.376 0.000 1.212 467 W CA 1.209 58.594 57.345 0.067 0.000 1.271 467 W CB -0.493 29.059 29.460 0.152 0.000 1.126 467 W HN -0.140 nan 8.180 nan 0.000 0.535 468 L N 0.660 122.076 121.223 0.321 0.000 2.191 468 L HA -0.181 4.160 4.340 0.002 0.000 0.212 468 L C 2.505 179.385 176.870 0.017 0.000 1.103 468 L CA 1.181 56.113 54.840 0.153 0.000 0.769 468 L CB -0.630 41.511 42.059 0.138 0.000 0.908 468 L HN -0.101 nan 8.230 nan 0.000 0.438 469 R N -1.178 119.360 120.500 0.065 0.000 2.285 469 R HA -0.125 4.216 4.340 0.002 0.000 0.213 469 R C 1.480 177.679 176.300 -0.168 0.000 1.068 469 R CA 0.668 56.750 56.100 -0.030 0.000 1.004 469 R CB -0.192 30.078 30.300 -0.050 0.000 0.873 469 R HN 0.427 nan 8.270 nan 0.000 0.467 470 H N -1.706 117.191 119.070 -0.289 0.000 2.553 470 H HA 0.067 4.623 4.556 0.001 0.000 0.265 470 H C 0.195 175.236 175.328 -0.478 0.000 0.964 470 H CA -0.047 55.808 56.048 -0.322 0.000 1.156 470 H CB -0.046 29.486 29.762 -0.384 0.000 1.411 470 H HN 0.091 nan 8.280 nan 0.000 0.558 471 H N 1.927 120.559 119.070 -0.730 0.000 3.034 471 H HA -0.046 4.511 4.556 0.001 0.000 0.324 471 H C -1.626 173.263 175.328 -0.730 0.000 1.015 471 H CA -1.416 53.841 56.048 -1.317 0.000 1.429 471 H CB 1.185 30.276 29.762 -1.120 0.000 1.429 471 H HN 0.115 nan 8.280 nan 0.000 0.585 472 P HA -0.204 nan 4.420 nan 0.000 0.218 472 P C 1.568 178.788 177.300 -0.133 0.000 1.152 472 P CA 1.813 64.680 63.100 -0.388 0.000 0.857 472 P CB 0.030 31.474 31.700 -0.427 0.000 0.787 473 R N -0.559 120.007 120.500 0.111 0.000 2.189 473 R HA -0.058 4.283 4.340 0.002 0.000 0.218 473 R C 1.696 177.961 176.300 -0.059 0.000 1.074 473 R CA 0.923 57.041 56.100 0.029 0.000 0.991 473 R CB -0.391 29.925 30.300 0.028 0.000 0.883 473 R HN 0.069 nan 8.270 nan 0.000 0.457 474 V N 0.889 120.779 119.914 -0.040 0.000 2.346 474 V HA -0.159 3.962 4.120 0.002 0.000 0.244 474 V C 2.175 178.223 176.094 -0.076 0.000 1.037 474 V CA 1.259 63.517 62.300 -0.069 0.000 1.029 474 V CB -0.215 31.598 31.823 -0.016 0.000 0.663 474 V HN 0.311 nan 8.190 nan 0.000 0.454 475 L N 0.731 121.889 121.223 -0.109 0.000 2.265 475 L HA -0.046 4.295 4.340 0.002 0.000 0.215 475 L C 1.582 178.396 176.870 -0.092 0.000 1.117 475 L CA 0.930 55.702 54.840 -0.113 0.000 0.782 475 L CB -0.595 41.377 42.059 -0.144 0.000 0.914 475 L HN 0.517 nan 8.230 nan 0.000 0.441 479 F N 1.842 121.727 119.950 -0.109 0.000 2.382 479 F HA 0.291 4.819 4.527 0.002 0.000 0.331 479 F C 1.406 177.086 175.800 -0.200 0.000 1.121 479 F CA -0.085 57.735 58.000 -0.299 0.000 1.183 479 F CB 0.753 39.529 39.000 -0.373 0.000 1.207 479 F HN 0.015 nan 8.300 nan 0.000 0.555 480 K N 1.428 121.801 120.400 -0.046 0.000 2.355 480 K HA 0.416 4.737 4.320 0.002 0.000 0.270 480 K C -0.152 176.432 176.600 -0.025 0.000 1.003 480 K CA -0.510 55.752 56.287 -0.042 0.000 0.957 480 K CB 0.538 32.998 32.500 -0.067 0.000 0.939 480 K HN 0.694 nan 8.250 nan 0.000 0.482 481 A N 1.322 124.128 122.820 -0.024 0.000 2.488 481 A HA 0.415 4.736 4.320 0.002 0.000 0.249 481 A C 1.153 178.716 177.584 -0.035 0.000 1.083 481 A CA 0.793 52.815 52.037 -0.026 0.000 0.768 481 A CB -0.330 18.658 19.000 -0.020 0.000 1.017 481 A HN 0.913 nan 8.150 nan 0.000 0.496 482 G N 1.072 109.846 108.800 -0.042 0.000 2.352 482 G HA2 -0.147 3.814 3.960 0.002 0.000 0.204 482 G HA3 -0.147 3.814 3.960 0.002 0.000 0.204 482 G C 0.207 175.070 174.900 -0.061 0.000 1.004 482 G CA -0.083 44.990 45.100 -0.044 0.000 0.648 482 G HN 1.327 nan 8.290 nan 0.000 0.491 483 V N 2.783 122.648 119.914 -0.081 0.000 2.521 483 V HA 0.337 4.458 4.120 0.002 0.000 0.286 483 V C 0.876 176.885 176.094 -0.143 0.000 1.034 483 V CA 0.251 62.478 62.300 -0.121 0.000 1.045 483 V CB 1.144 32.871 31.823 -0.160 0.000 0.974 483 V HN 0.379 nan 8.190 nan 0.000 0.480 484 K N 4.120 124.444 120.400 -0.126 0.000 2.154 484 K HA 0.347 4.667 4.320 0.002 0.000 0.264 484 K C 1.197 177.703 176.600 -0.157 0.000 1.008 484 K CA -0.553 55.667 56.287 -0.112 0.000 0.937 484 K CB 0.941 33.400 32.500 -0.068 0.000 1.002 484 K HN 0.428 nan 8.250 nan 0.000 0.469 485 R N 0.954 121.377 120.500 -0.129 0.000 2.119 485 R HA -0.262 4.079 4.340 0.002 0.000 0.246 485 R C 2.098 178.326 176.300 -0.119 0.000 1.146 485 R CA 1.929 57.945 56.100 -0.139 0.000 0.962 485 R CB -0.481 29.771 30.300 -0.080 0.000 0.863 485 R HN 0.761 nan 8.270 nan 0.000 0.442 486 A N 1.167 123.949 122.820 -0.064 0.000 1.933 486 A HA -0.200 4.121 4.320 0.002 0.000 0.218 486 A C 1.863 179.428 177.584 -0.031 0.000 1.175 486 A CA 1.489 53.518 52.037 -0.013 0.000 0.628 486 A CB -0.276 18.744 19.000 0.034 0.000 0.814 486 A HN 0.373 nan 8.150 nan 0.000 0.444 487 E N -0.461 119.691 120.200 -0.081 0.000 2.107 487 E HA -0.063 4.288 4.350 0.002 0.000 0.191 487 E C 1.927 178.418 176.600 -0.182 0.000 0.982 487 E CA 0.970 57.315 56.400 -0.091 0.000 0.809 487 E CB -0.228 29.412 29.700 -0.100 0.000 0.756 487 E HN 0.377 nan 8.360 nan 0.000 0.459 488 V N 0.986 120.679 119.914 -0.369 0.000 2.295 488 V HA -0.279 3.842 4.120 0.002 0.000 0.246 488 V C 2.442 178.354 176.094 -0.303 0.000 1.049 488 V CA 1.968 63.845 62.300 -0.705 0.000 1.024 488 V CB -0.489 30.792 31.823 -0.902 0.000 0.648 488 V HN 0.267 nan 8.190 nan 0.000 0.447 489 S N 0.004 115.607 115.700 -0.162 0.000 2.370 489 S HA -0.274 4.196 4.470 0.002 0.000 0.226 489 S C 2.089 176.721 174.600 0.053 0.000 1.033 489 S CA 2.058 60.240 58.200 -0.030 0.000 1.011 489 S CB -0.565 62.635 63.200 0.000 0.000 0.852 489 S HN 0.667 nan 8.310 nan 0.000 0.457 490 N N 1.029 119.764 118.700 0.058 0.000 2.142 490 N HA -0.047 4.694 4.740 0.002 0.000 0.186 490 N C 1.879 177.511 175.510 0.204 0.000 1.023 490 N CA 1.414 54.531 53.050 0.113 0.000 0.852 490 N CB -0.504 38.037 38.487 0.090 0.000 0.998 490 N HN 0.470 nan 8.380 nan 0.000 0.424 491 A N 1.277 124.241 122.820 0.240 0.000 1.933 491 A HA -0.074 4.247 4.320 0.002 0.000 0.218 491 A C 2.375 180.328 177.584 0.615 0.000 1.175 491 A CA 0.884 53.227 52.037 0.510 0.000 0.628 491 A CB -0.560 18.683 19.000 0.404 0.000 0.814 491 A HN 0.350 nan 8.150 nan 0.000 0.444 492 I N -0.240 120.570 120.570 0.401 0.000 2.252 492 I HA -0.204 3.967 4.170 0.002 0.000 0.245 492 I C 1.767 178.075 176.117 0.318 0.000 1.102 492 I CA 1.351 62.873 61.300 0.371 0.000 1.385 492 I CB -0.483 37.648 38.000 0.218 0.000 1.064 492 I HN 0.244 nan 8.210 nan 0.000 0.414 493 D N 0.708 121.246 120.400 0.231 0.000 2.144 493 D HA -0.194 4.447 4.640 0.002 0.000 0.199 493 D C 2.240 178.639 176.300 0.164 0.000 0.984 493 D CA 1.243 55.350 54.000 0.177 0.000 0.834 493 D CB -0.262 40.624 40.800 0.142 0.000 0.955 493 D HN 0.467 nan 8.370 nan 0.000 0.465 494 Q N -0.715 119.202 119.800 0.194 0.000 2.119 494 Q HA -0.165 4.176 4.340 0.002 0.000 0.201 494 Q C 2.027 178.060 176.000 0.054 0.000 0.972 494 Q CA 0.832 56.699 55.803 0.107 0.000 0.847 494 Q CB -0.201 28.605 28.738 0.113 0.000 0.903 494 Q HN 0.385 nan 8.270 nan 0.000 0.433 495 Y N 1.315 121.642 120.300 0.045 0.000 2.145 495 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 495 Y C 2.139 178.010 175.900 -0.049 0.000 1.145 495 Y CA 1.566 59.649 58.100 -0.028 0.000 1.148 495 Y CB -0.144 38.459 38.460 0.237 0.000 0.981 495 Y HN 0.021 nan 8.280 nan 0.000 0.507 496 V N -2.213 117.735 119.914 0.056 0.000 2.871 496 V HA -0.071 4.050 4.120 0.002 0.000 0.256 496 V C 1.684 177.734 176.094 -0.073 0.000 1.082 496 V CA 1.944 64.207 62.300 -0.060 0.000 1.105 496 V CB -1.355 30.512 31.823 0.073 0.000 0.713 496 V HN 0.580 nan 8.190 nan 0.000 0.473 497 T N -3.236 111.295 114.554 -0.039 0.000 3.069 497 T HA 0.432 4.783 4.350 0.002 0.000 0.252 497 T C 1.530 176.184 174.700 -0.078 0.000 1.053 497 T CA 0.556 62.636 62.100 -0.033 0.000 0.964 497 T CB 0.089 68.965 68.868 0.013 0.000 1.005 497 T HN 1.610 nan 8.240 nan 0.000 0.532 498 G N 2.200 110.914 108.800 -0.143 0.000 2.246 498 G HA2 -0.256 3.705 3.960 0.002 0.000 0.273 498 G HA3 -0.256 3.705 3.960 0.002 0.000 0.273 498 G C 0.418 175.241 174.900 -0.129 0.000 1.055 498 G CA 0.468 45.467 45.100 -0.169 0.000 0.851 498 G HN 1.150 nan 8.290 nan 0.000 0.500 499 T N -2.585 111.903 114.554 -0.110 0.000 3.293 499 T HA 0.561 4.912 4.350 0.002 0.000 0.276 499 T C 1.886 176.530 174.700 -0.093 0.000 1.003 499 T CA 0.215 62.269 62.100 -0.076 0.000 0.916 499 T CB 0.106 68.958 68.868 -0.028 0.000 1.134 499 T HN 0.269 nan 8.240 nan 0.000 0.530 500 I N 1.532 121.989 120.570 -0.188 0.000 2.286 500 I HA 0.291 4.462 4.170 0.002 0.000 0.245 500 I C 1.777 177.821 176.117 -0.121 0.000 1.104 500 I CA 1.296 62.446 61.300 -0.250 0.000 1.397 500 I CB -0.502 37.145 38.000 -0.588 0.000 1.072 500 I HN 0.745 nan 8.210 nan 0.000 0.417 501 G N 1.130 109.862 108.800 -0.113 0.000 2.422 501 G HA2 -0.080 3.881 3.960 0.002 0.000 0.607 501 G HA3 -0.080 3.881 3.960 0.002 0.000 0.607 501 G C -0.815 174.050 174.900 -0.058 0.000 1.270 501 G CA -0.150 44.915 45.100 -0.058 0.000 0.992 501 G HN 0.449 nan 8.290 nan 0.000 0.499 502 E N -1.136 119.048 120.200 -0.028 0.000 2.459 502 E HA 0.666 5.017 4.350 0.002 0.000 0.275 502 E C -0.025 176.576 176.600 0.002 0.000 0.987 502 E CA -0.052 56.335 56.400 -0.021 0.000 0.828 502 E CB 1.731 31.415 29.700 -0.028 0.000 1.428 502 E HN 0.618 nan 8.360 nan 0.000 0.457 503 D N -0.012 120.391 120.400 0.006 0.000 3.996 503 D HA -0.282 4.359 4.640 0.002 0.000 0.140 503 D C 1.102 177.420 176.300 0.030 0.000 0.829 503 D CA 1.896 55.905 54.000 0.015 0.000 1.111 503 D CB -0.959 39.847 40.800 0.011 0.000 0.516 503 D HN 0.624 nan 8.370 nan 0.000 0.517 504 E N 1.481 121.700 120.200 0.032 0.000 2.047 504 E HA -0.124 4.227 4.350 0.002 0.000 0.191 504 E C 1.563 178.203 176.600 0.067 0.000 0.987 504 E CA 1.970 58.397 56.400 0.046 0.000 0.799 504 E CB -0.580 29.143 29.700 0.038 0.000 0.752 504 E HN 0.377 nan 8.360 nan 0.000 0.449 505 D N 0.197 120.632 120.400 0.060 0.000 2.172 505 D HA -0.208 4.433 4.640 0.002 0.000 0.196 505 D C 2.019 178.397 176.300 0.130 0.000 0.999 505 D CA 1.106 55.156 54.000 0.083 0.000 0.856 505 D CB -0.238 40.592 40.800 0.050 0.000 0.934 505 D HN 0.196 nan 8.370 nan 0.000 0.453 506 L N 0.737 122.017 121.223 0.096 0.000 2.056 506 L HA -0.128 4.213 4.340 0.002 0.000 0.207 506 L C 2.338 179.344 176.870 0.226 0.000 1.078 506 L CA 1.188 56.109 54.840 0.135 0.000 0.749 506 L CB -0.445 41.647 42.059 0.055 0.000 0.901 506 L HN -0.149 nan 8.230 nan 0.000 0.433 507 V N -0.017 119.987 119.914 0.150 0.000 2.287 507 V HA -0.341 3.780 4.120 0.002 0.000 0.248 507 V C 2.662 178.852 176.094 0.160 0.000 1.053 507 V CA 2.226 64.608 62.300 0.136 0.000 1.027 507 V CB -0.780 31.094 31.823 0.085 0.000 0.646 507 V HN 0.512 nan 8.190 nan 0.000 0.447 508 K N -1.356 119.140 120.400 0.159 0.000 2.057 508 K HA -0.266 4.055 4.320 0.002 0.000 0.207 508 K C 2.030 178.751 176.600 0.202 0.000 1.049 508 K CA 2.093 58.468 56.287 0.146 0.000 0.931 508 K CB -0.281 32.297 32.500 0.129 0.000 0.714 508 K HN 0.592 nan 8.250 nan 0.000 0.440 509 W N 1.941 123.301 121.300 0.099 0.000 2.358 509 W HA -0.184 4.477 4.660 0.001 0.000 0.303 509 W C 1.876 178.554 176.519 0.265 0.000 1.208 509 W CA 1.588 59.033 57.345 0.166 0.000 1.274 509 W CB -0.027 29.536 29.460 0.173 0.000 1.138 509 W HN 0.153 nan 8.180 nan 0.000 0.515 510 Q N 0.395 120.456 119.800 0.435 0.000 2.224 510 Q HA -0.042 4.299 4.340 0.002 0.000 0.203 510 Q C 1.422 177.501 176.000 0.132 0.000 0.970 510 Q CA 0.834 56.792 55.803 0.257 0.000 0.865 510 Q CB -0.569 28.322 28.738 0.255 0.000 0.922 510 Q HN 0.242 nan 8.270 nan 0.000 0.445 514 E N 0.970 121.164 120.200 -0.011 0.000 2.216 514 E HA -0.026 4.324 4.350 0.002 0.000 0.192 514 E C -0.336 176.248 176.600 -0.027 0.000 0.988 514 E CA 0.935 57.320 56.400 -0.024 0.000 0.834 514 E CB 0.274 29.956 29.700 -0.030 0.000 0.772 514 E HN 0.763 nan 8.360 nan 0.000 0.479 515 E N -0.450 119.727 120.200 -0.039 0.000 2.281 515 E HA 0.330 4.681 4.350 0.002 0.000 0.266 515 E C -0.795 175.690 176.600 -0.192 0.000 0.893 515 E CA -0.511 55.836 56.400 -0.088 0.000 0.798 515 E CB 1.834 31.481 29.700 -0.089 0.000 1.245 515 E HN -0.287 nan 8.360 nan 0.000 0.410 516 V N 4.557 124.345 119.914 -0.210 0.000 2.485 516 V HA 0.135 4.255 4.120 0.002 0.000 0.287 516 V C -1.368 174.501 176.094 -0.376 0.000 1.022 516 V CA -0.858 61.209 62.300 -0.389 0.000 1.067 516 V CB -0.186 31.533 31.823 -0.174 0.000 0.967 516 V HN 0.705 nan 8.190 nan 0.000 0.479 517 P HA 0.376 nan 4.420 nan 0.000 0.279 517 P C -0.427 176.811 177.300 -0.103 0.000 1.239 517 P CA -0.319 62.572 63.100 -0.349 0.000 0.789 517 P CB 1.218 32.589 31.700 -0.549 0.000 0.933 518 A N 3.731 126.523 122.820 -0.045 0.000 2.477 518 A HA 0.103 4.423 4.320 0.002 0.000 0.246 518 A C 0.703 178.340 177.584 0.089 0.000 1.078 518 A CA -0.258 51.782 52.037 0.005 0.000 0.770 518 A CB -0.196 18.790 19.000 -0.023 0.000 1.011 518 A HN 0.524 nan 8.150 nan 0.000 0.494 519 Q N 0.869 120.690 119.800 0.035 0.000 2.395 519 Q HA 0.158 4.499 4.340 0.002 0.000 0.271 519 Q C -0.299 175.591 176.000 -0.183 0.000 1.026 519 Q CA 0.273 56.026 55.803 -0.083 0.000 0.900 519 Q CB 0.516 29.153 28.738 -0.169 0.000 1.266 519 Q HN 0.632 nan 8.270 nan 0.000 0.430 520 L N 2.423 123.409 121.223 -0.396 0.000 2.410 520 L HA 0.085 4.426 4.340 0.002 0.000 0.273 520 L C 1.118 177.843 176.870 -0.242 0.000 1.144 520 L CA -0.226 54.409 54.840 -0.342 0.000 0.863 520 L CB 0.227 41.995 42.059 -0.485 0.000 1.140 520 L HN 0.688 nan 8.230 nan 0.000 0.463 521 T N -1.355 113.106 114.554 -0.156 0.000 2.816 521 T HA 0.129 4.480 4.350 0.002 0.000 0.282 521 T C 1.014 175.662 174.700 -0.087 0.000 0.993 521 T CA -0.829 61.207 62.100 -0.106 0.000 0.994 521 T CB 1.342 70.171 68.868 -0.065 0.000 1.025 521 T HN 0.492 nan 8.240 nan 0.000 0.529 522 E N 0.575 120.738 120.200 -0.062 0.000 2.110 522 E HA -0.083 4.268 4.350 0.002 0.000 0.193 522 E C 2.409 179.004 176.600 -0.008 0.000 0.988 522 E CA 1.452 57.829 56.400 -0.037 0.000 0.804 522 E CB -0.858 28.824 29.700 -0.030 0.000 0.745 522 E HN 0.818 nan 8.360 nan 0.000 0.458 523 A N 1.044 123.861 122.820 -0.005 0.000 1.898 523 A HA -0.209 4.112 4.320 0.002 0.000 0.216 523 A C 2.136 179.748 177.584 0.046 0.000 1.181 523 A CA 1.712 53.760 52.037 0.019 0.000 0.620 523 A CB -0.428 18.580 19.000 0.013 0.000 0.819 523 A HN 0.257 nan 8.150 nan 0.000 0.442 524 E N -0.090 120.128 120.200 0.029 0.000 2.072 524 E HA -0.182 4.169 4.350 0.002 0.000 0.191 524 E C 1.983 178.656 176.600 0.122 0.000 0.985 524 E CA 1.388 57.828 56.400 0.066 0.000 0.801 524 E CB -0.066 29.624 29.700 -0.017 0.000 0.750 524 E HN 0.606 nan 8.360 nan 0.000 0.452 525 K N 0.381 120.814 120.400 0.055 0.000 2.026 525 K HA -0.150 4.171 4.320 0.002 0.000 0.208 525 K C 2.219 178.931 176.600 0.187 0.000 1.048 525 K CA 1.347 57.701 56.287 0.111 0.000 0.929 525 K CB -0.047 32.469 32.500 0.027 0.000 0.713 525 K HN -0.001 nan 8.250 nan 0.000 0.439 526 K N 1.013 121.486 120.400 0.121 0.000 2.032 526 K HA -0.233 4.088 4.320 0.002 0.000 0.209 526 K C 2.346 179.033 176.600 0.146 0.000 1.048 526 K CA 1.564 57.919 56.287 0.113 0.000 0.927 526 K CB -0.066 32.474 32.500 0.066 0.000 0.712 526 K HN 0.192 nan 8.250 nan 0.000 0.441 527 Q N 0.063 119.961 119.800 0.163 0.000 2.124 527 Q HA -0.208 4.133 4.340 0.002 0.000 0.202 527 Q C 1.886 178.041 176.000 0.258 0.000 0.977 527 Q CA 1.368 57.277 55.803 0.176 0.000 0.850 527 Q CB -0.093 28.746 28.738 0.170 0.000 0.901 527 Q HN 0.538 nan 8.270 nan 0.000 0.429 528 W N 0.761 122.141 121.300 0.133 0.000 2.379 528 W HA -0.166 4.495 4.660 0.001 0.000 0.307 528 W C 1.659 178.389 176.519 0.350 0.000 1.200 528 W CA 0.960 58.404 57.345 0.166 0.000 1.297 528 W CB -0.182 29.361 29.460 0.138 0.000 1.140 528 W HN 0.155 nan 8.180 nan 0.000 0.507 529 I N 1.537 122.313 120.570 0.344 0.000 2.335 529 I HA -0.317 3.854 4.170 0.002 0.000 0.251 529 I C 2.578 178.752 176.117 0.095 0.000 1.129 529 I CA 1.528 63.006 61.300 0.297 0.000 1.402 529 I CB -0.834 37.305 38.000 0.231 0.000 1.069 529 I HN -0.038 nan 8.210 nan 0.000 0.424 530 A N 0.432 123.294 122.820 0.070 0.000 2.121 530 A HA -0.159 4.162 4.320 0.002 0.000 0.218 530 A C 2.167 179.716 177.584 -0.058 0.000 1.154 530 A CA 1.192 53.230 52.037 0.000 0.000 0.679 530 A CB -0.347 18.667 19.000 0.024 0.000 0.795 530 A HN 0.379 nan 8.150 nan 0.000 0.458 531 K N -1.118 119.238 120.400 -0.074 0.000 2.365 531 K HA 0.125 4.445 4.320 0.002 0.000 0.197 531 K C 0.109 176.543 176.600 -0.277 0.000 1.042 531 K CA -0.204 56.000 56.287 -0.138 0.000 0.987 531 K CB -0.143 32.250 32.500 -0.178 0.000 0.779 531 K HN 0.393 nan 8.250 nan 0.000 0.484 532 L N 2.141 123.063 121.223 -0.502 0.000 2.410 532 L HA 0.042 4.383 4.340 0.002 0.000 0.273 532 L C 0.111 176.704 176.870 -0.463 0.000 1.152 532 L CA 0.867 55.177 54.840 -0.883 0.000 0.855 532 L CB 0.559 41.818 42.059 -1.333 0.000 1.129 532 L HN 0.175 nan 8.230 nan 0.000 0.463 533 T N 1.527 115.852 114.554 -0.382 0.000 2.778 533 T HA 0.702 5.053 4.350 0.002 0.000 0.293 533 T C 0.261 174.866 174.700 -0.159 0.000 1.144 533 T CA -0.455 61.510 62.100 -0.226 0.000 1.010 533 T CB 1.164 69.935 68.868 -0.162 0.000 1.325 533 T HN 1.667 nan 8.240 nan 0.000 0.515 534 A N -0.181 122.577 122.820 -0.104 0.000 2.745 534 A HA 0.013 4.334 4.320 0.002 0.000 0.296 534 A C 0.337 177.980 177.584 0.097 0.000 1.500 534 A CA 0.637 52.701 52.037 0.046 0.000 0.766 534 A CB -2.609 16.462 19.000 0.118 0.000 1.030 534 A HN 1.261 nan 8.150 nan 0.000 0.489 535 V N 0.321 120.236 119.914 0.002 0.000 2.644 535 V HA 0.614 4.735 4.120 0.002 0.000 0.295 535 V C 0.892 177.057 176.094 0.120 0.000 1.053 535 V CA 0.101 62.423 62.300 0.036 0.000 0.987 535 V CB 1.889 33.715 31.823 0.006 0.000 1.006 535 V HN 0.629 nan 8.190 nan 0.000 0.472 536 S N 3.189 118.953 115.700 0.107 0.000 2.578 536 S HA 0.834 5.305 4.470 0.002 0.000 0.301 536 S C -0.750 173.843 174.600 -0.012 0.000 1.091 536 S CA -0.492 57.765 58.200 0.094 0.000 1.032 536 S CB 1.665 64.884 63.200 0.031 0.000 1.064 536 S HN 0.635 nan 8.310 nan 0.000 0.508 537 L N 1.428 122.616 121.223 -0.057 0.000 2.445 537 L HA 0.794 5.135 4.340 0.002 0.000 0.262 537 L C -0.951 175.875 176.870 -0.073 0.000 0.974 537 L CA -0.073 54.666 54.840 -0.168 0.000 0.822 537 L CB 2.146 44.006 42.059 -0.332 0.000 1.339 537 L HN 0.630 nan 8.230 nan 0.000 0.409 538 S N 2.323 117.979 115.700 -0.074 0.000 2.532 538 S HA 0.718 5.189 4.470 0.002 0.000 0.299 538 S C -1.217 173.353 174.600 -0.050 0.000 1.105 538 S CA -0.398 57.785 58.200 -0.029 0.000 1.018 538 S CB 1.697 64.899 63.200 0.003 0.000 1.021 538 S HN 0.764 nan 8.310 nan 0.000 0.483 539 S N 1.984 117.622 115.700 -0.102 0.000 2.503 539 S HA 0.377 4.847 4.470 0.002 0.000 0.301 539 S C 0.444 174.952 174.600 -0.152 0.000 1.087 539 S CA -0.640 57.465 58.200 -0.159 0.000 1.042 539 S CB 1.126 64.042 63.200 -0.472 0.000 1.043 539 S HN 0.859 nan 8.310 nan 0.000 0.489 540 D N 2.838 123.190 120.400 -0.079 0.000 2.363 540 D HA 0.258 4.899 4.640 0.002 0.000 0.220 540 D C 0.412 176.607 176.300 -0.174 0.000 0.994 540 D CA 0.338 54.299 54.000 -0.065 0.000 0.890 540 D CB 0.012 40.853 40.800 0.068 0.000 0.906 540 D HN 0.518 nan 8.370 nan 0.000 0.530 541 A N -0.359 122.333 122.820 -0.213 0.000 2.566 541 A HA 0.568 4.889 4.320 0.002 0.000 0.292 541 A C -0.647 176.698 177.584 -0.399 0.000 1.112 541 A CA -1.120 50.700 52.037 -0.361 0.000 0.707 541 A CB 0.607 19.431 19.000 -0.292 0.000 1.302 541 A HN 0.149 nan 8.150 nan 0.000 0.409 542 F N -0.524 119.267 119.950 -0.265 0.000 2.545 542 F HA 0.613 5.141 4.527 0.002 0.000 0.348 542 F C -0.720 174.962 175.800 -0.197 0.000 1.163 542 F CA -0.884 56.946 58.000 -0.284 0.000 1.331 542 F CB -0.286 38.586 39.000 -0.214 0.000 1.138 542 F HN 0.252 nan 8.300 nan 0.000 0.602 543 F N 3.152 123.292 119.950 0.317 0.000 2.445 543 F HA 0.349 4.877 4.527 0.002 0.000 0.359 543 F C -1.523 174.425 175.800 0.247 0.000 1.101 543 F CA -2.240 55.885 58.000 0.208 0.000 1.177 543 F CB 0.610 39.701 39.000 0.151 0.000 1.110 543 F HN 0.326 nan 8.300 nan 0.000 0.522 544 P HA -0.059 nan 4.420 nan 0.000 0.216 544 P C -0.470 176.532 177.300 -0.496 0.000 1.153 544 P CA 1.468 64.501 63.100 -0.111 0.000 0.844 544 P CB 0.295 31.834 31.700 -0.268 0.000 0.787 545 F N -2.452 117.618 119.950 0.200 0.000 2.640 545 F HA 0.379 4.907 4.527 0.001 0.000 0.324 545 F C 1.623 177.455 175.800 0.054 0.000 1.077 545 F CA -1.057 57.009 58.000 0.109 0.000 0.965 545 F CB 0.650 39.696 39.000 0.076 0.000 1.351 545 F HN -0.377 nan 8.300 nan 0.000 0.487 546 R N -0.312 120.328 120.500 0.233 0.000 2.307 546 R HA -0.021 4.320 4.340 0.002 0.000 0.199 546 R C 0.578 176.880 176.300 0.002 0.000 1.000 546 R CA 1.269 57.411 56.100 0.069 0.000 1.023 546 R CB -0.681 29.652 30.300 0.055 0.000 0.908 546 R HN 0.616 nan 8.270 nan 0.000 0.473 547 D N 1.008 121.438 120.400 0.051 0.000 2.221 547 D HA -0.208 4.433 4.640 0.002 0.000 0.204 547 D C 0.972 177.230 176.300 -0.071 0.000 0.982 547 D CA 0.949 54.945 54.000 -0.006 0.000 0.857 547 D CB -0.469 40.339 40.800 0.013 0.000 0.934 547 D HN 0.273 nan 8.370 nan 0.000 0.475 548 N N 0.524 119.136 118.700 -0.146 0.000 2.142 548 N HA -0.108 4.633 4.740 0.002 0.000 0.186 548 N C 2.189 177.464 175.510 -0.391 0.000 1.023 548 N CA 1.928 54.776 53.050 -0.338 0.000 0.852 548 N CB -0.039 37.988 38.487 -0.767 0.000 0.998 548 N HN 0.391 nan 8.380 nan 0.000 0.424 549 V N -0.552 119.136 119.914 -0.376 0.000 2.548 549 V HA -0.083 4.038 4.120 0.002 0.000 0.249 549 V C 1.673 177.684 176.094 -0.138 0.000 1.055 549 V CA 1.633 63.778 62.300 -0.258 0.000 1.065 549 V CB -0.441 31.272 31.823 -0.185 0.000 0.681 549 V HN -0.026 nan 8.190 nan 0.000 0.462 550 D N 0.734 121.072 120.400 -0.104 0.000 2.117 550 D HA -0.160 4.481 4.640 0.002 0.000 0.198 550 D C 2.282 178.552 176.300 -0.050 0.000 0.982 550 D CA 1.898 55.859 54.000 -0.065 0.000 0.828 550 D CB -0.127 40.643 40.800 -0.049 0.000 0.967 550 D HN 0.461 nan 8.370 nan 0.000 0.464 551 R N 1.392 121.862 120.500 -0.049 0.000 2.075 551 R HA -0.002 4.339 4.340 0.002 0.000 0.232 551 R C 2.020 178.339 176.300 0.032 0.000 1.126 551 R CA 1.687 57.781 56.100 -0.011 0.000 0.963 551 R CB -0.757 29.544 30.300 0.001 0.000 0.858 551 R HN 0.037 nan 8.270 nan 0.000 0.435 552 A N 0.813 123.650 122.820 0.028 0.000 1.908 552 A HA -0.208 4.113 4.320 0.002 0.000 0.218 552 A C 2.080 179.698 177.584 0.058 0.000 1.181 552 A CA 2.021 54.125 52.037 0.112 0.000 0.627 552 A CB -0.621 18.362 19.000 -0.028 0.000 0.818 552 A HN 0.348 nan 8.150 nan 0.000 0.445 553 K N 0.277 120.664 120.400 -0.022 0.000 2.152 553 K HA -0.104 4.217 4.320 0.002 0.000 0.206 553 K C 1.945 178.520 176.600 -0.042 0.000 1.048 553 K CA 1.541 57.799 56.287 -0.049 0.000 0.933 553 K CB -0.324 32.138 32.500 -0.064 0.000 0.721 553 K HN 0.497 nan 8.250 nan 0.000 0.447 554 R N -0.504 119.981 120.500 -0.024 0.000 2.241 554 R HA -0.054 4.287 4.340 0.002 0.000 0.224 554 R C 0.806 177.085 176.300 -0.035 0.000 1.101 554 R CA 0.978 57.063 56.100 -0.025 0.000 0.995 554 R CB -0.183 30.109 30.300 -0.014 0.000 0.870 554 R HN 0.192 nan 8.270 nan 0.000 0.463 555 I N -0.357 120.190 120.570 -0.038 0.000 3.569 555 I HA 0.257 4.428 4.170 0.002 0.000 0.334 555 I C 0.487 176.536 176.117 -0.113 0.000 1.570 555 I CA 0.063 61.313 61.300 -0.083 0.000 1.082 555 I CB 0.537 38.456 38.000 -0.136 0.000 1.323 555 I HN 0.265 nan 8.210 nan 0.000 0.489 556 G N 0.830 109.560 108.800 -0.116 0.000 2.148 556 G HA2 -0.216 3.745 3.960 0.002 0.000 0.254 556 G HA3 -0.216 3.745 3.960 0.002 0.000 0.254 556 G C 0.348 175.174 174.900 -0.123 0.000 0.981 556 G CA 0.242 45.250 45.100 -0.152 0.000 0.670 556 G HN 0.332 nan 8.290 nan 0.000 0.528 557 V N 0.599 120.478 119.914 -0.059 0.000 2.529 557 V HA 0.296 4.417 4.120 0.002 0.000 0.292 557 V C 1.286 177.253 176.094 -0.212 0.000 1.028 557 V CA 1.658 63.914 62.300 -0.073 0.000 1.074 557 V CB 1.594 33.414 31.823 -0.004 0.000 0.958 557 V HN 0.562 nan 8.190 nan 0.000 0.481 558 Q N 3.350 122.914 119.800 -0.393 0.000 2.211 558 Q HA 0.299 4.640 4.340 0.002 0.000 0.242 558 Q C -0.775 174.622 176.000 -1.006 0.000 0.825 558 Q CA 0.071 55.422 55.803 -0.753 0.000 0.951 558 Q CB 0.722 28.830 28.738 -1.049 0.000 1.130 558 Q HN 0.683 nan 8.270 nan 0.000 0.496 559 F N 0.685 120.586 119.950 -0.083 0.000 2.547 559 F HA 0.564 5.092 4.527 0.001 0.000 0.316 559 F C -0.518 175.224 175.800 -0.097 0.000 1.121 559 F CA -0.812 57.126 58.000 -0.103 0.000 0.911 559 F CB 1.522 40.437 39.000 -0.143 0.000 1.179 559 F HN -0.163 nan 8.300 nan 0.000 0.443 560 I N 3.181 123.796 120.570 0.076 0.000 2.619 560 I HA 0.582 4.753 4.170 0.002 0.000 0.292 560 I C -1.423 174.735 176.117 0.069 0.000 1.100 560 I CA -1.164 60.176 61.300 0.067 0.000 1.043 560 I CB 2.525 40.593 38.000 0.113 0.000 1.239 560 I HN 0.390 nan 8.210 nan 0.000 0.420 561 V N 5.512 125.468 119.914 0.070 0.000 2.588 561 V HA 0.970 5.091 4.120 0.002 0.000 0.304 561 V C -0.890 175.239 176.094 0.057 0.000 1.042 561 V CA 0.004 62.369 62.300 0.109 0.000 0.877 561 V CB 1.579 33.523 31.823 0.202 0.000 0.996 561 V HN 0.938 nan 8.190 nan 0.000 0.425 562 A N 6.804 129.662 122.820 0.063 0.000 2.608 562 A HA 0.903 5.224 4.320 0.002 0.000 0.292 562 A C -3.323 174.263 177.584 0.003 0.000 1.066 562 A CA -1.273 50.718 52.037 -0.078 0.000 0.676 562 A CB 2.042 20.832 19.000 -0.350 0.000 1.277 562 A HN 0.615 nan 8.150 nan 0.000 0.413 563 P HA 0.294 nan 4.420 nan 0.000 0.272 563 P C 0.235 177.408 177.300 -0.211 0.000 1.223 563 P CA 0.105 63.141 63.100 -0.108 0.000 0.784 563 P CB 0.971 32.599 31.700 -0.121 0.000 0.923 564 S N 0.770 116.247 115.700 -0.371 0.000 2.671 564 S HA 0.663 5.134 4.470 0.002 0.000 0.272 564 S C 1.004 175.384 174.600 -0.366 0.000 1.174 564 S CA 0.172 57.948 58.200 -0.706 0.000 1.004 564 S CB 0.423 63.243 63.200 -0.632 0.000 1.077 564 S HN 0.801 nan 8.310 nan 0.000 0.553 565 G N -0.759 107.763 108.800 -0.462 0.000 2.273 565 G HA2 -0.108 3.853 3.960 0.002 0.000 0.162 565 G HA3 -0.108 3.853 3.960 0.002 0.000 0.162 565 G C 0.052 174.333 174.900 -1.031 0.000 1.006 565 G CA 0.086 44.875 45.100 -0.518 0.000 0.704 565 G HN 1.098 nan 8.290 nan 0.000 0.487 566 S N 0.179 115.194 115.700 -1.142 0.000 2.586 566 S HA 0.704 5.175 4.470 0.002 0.000 0.274 566 S C 1.784 176.092 174.600 -0.487 0.000 1.281 566 S CA 0.761 58.299 58.200 -1.102 0.000 1.035 566 S CB 1.355 64.136 63.200 -0.698 0.000 0.962 566 S HN 1.473 nan 8.310 nan 0.000 0.512 567 A N 3.538 126.150 122.820 -0.346 0.000 1.972 567 A HA 0.194 4.515 4.320 0.002 0.000 0.219 567 A C 1.660 179.172 177.584 -0.119 0.000 1.169 567 A CA 1.507 53.435 52.037 -0.181 0.000 0.635 567 A CB -0.820 18.113 19.000 -0.113 0.000 0.810 567 A HN 1.208 nan 8.150 nan 0.000 0.446 568 A N -0.492 122.257 122.820 -0.119 0.000 2.833 568 A HA 0.350 4.671 4.320 0.002 0.000 0.293 568 A C 0.730 178.310 177.584 -0.008 0.000 1.338 568 A CA 0.160 52.177 52.037 -0.034 0.000 0.959 568 A CB -0.337 18.673 19.000 0.016 0.000 1.094 568 A HN 0.297 nan 8.150 nan 0.000 0.569 569 D N 0.646 121.023 120.400 -0.038 0.000 2.117 569 D HA -0.149 4.492 4.640 0.002 0.000 0.197 569 D C 1.600 177.961 176.300 0.101 0.000 0.987 569 D CA 1.211 55.243 54.000 0.053 0.000 0.829 569 D CB 0.161 40.965 40.800 0.006 0.000 0.961 569 D HN 0.437 nan 8.370 nan 0.000 0.460 570 E N 0.398 120.628 120.200 0.050 0.000 2.077 570 E HA -0.099 4.252 4.350 0.002 0.000 0.193 570 E C 2.452 179.079 176.600 0.044 0.000 0.989 570 E CA 0.312 56.738 56.400 0.043 0.000 0.800 570 E CB -0.415 29.299 29.700 0.024 0.000 0.746 570 E HN 0.189 nan 8.360 nan 0.000 0.452 571 V N 1.041 120.985 119.914 0.050 0.000 2.343 571 V HA -0.197 3.924 4.120 0.002 0.000 0.247 571 V C 2.556 178.687 176.094 0.062 0.000 1.051 571 V CA 1.252 63.586 62.300 0.056 0.000 1.036 571 V CB -0.489 31.380 31.823 0.077 0.000 0.654 571 V HN 0.061 nan 8.190 nan 0.000 0.451 572 V N -0.204 119.762 119.914 0.086 0.000 2.358 572 V HA -0.229 3.892 4.120 0.002 0.000 0.246 572 V C 2.173 178.298 176.094 0.052 0.000 1.047 572 V CA 1.993 64.349 62.300 0.095 0.000 1.035 572 V CB -0.435 31.498 31.823 0.183 0.000 0.658 572 V HN 0.437 nan 8.190 nan 0.000 0.452 573 I N -0.446 120.149 120.570 0.042 0.000 2.179 573 I HA -0.187 3.984 4.170 0.002 0.000 0.242 573 I C 2.689 178.799 176.117 -0.011 0.000 1.088 573 I CA 1.354 62.646 61.300 -0.012 0.000 1.357 573 I CB -0.401 37.592 38.000 -0.012 0.000 1.051 573 I HN 0.274 nan 8.210 nan 0.000 0.409 574 E N 0.934 121.136 120.200 0.004 0.000 2.153 574 E HA -0.173 4.178 4.350 0.002 0.000 0.194 574 E C 2.248 178.843 176.600 -0.008 0.000 0.988 574 E CA 1.325 57.724 56.400 -0.002 0.000 0.811 574 E CB -0.151 29.553 29.700 0.006 0.000 0.746 574 E HN 0.475 nan 8.360 nan 0.000 0.466 575 A N 0.282 123.100 122.820 -0.002 0.000 1.902 575 A HA -0.197 4.124 4.320 0.002 0.000 0.217 575 A C 2.643 180.209 177.584 -0.031 0.000 1.181 575 A CA 1.474 53.503 52.037 -0.013 0.000 0.623 575 A CB -0.881 18.115 19.000 -0.006 0.000 0.818 575 A HN 0.374 nan 8.150 nan 0.000 0.443 576 C N -0.291 118.989 119.300 -0.034 0.000 2.429 576 C HA -0.078 4.383 4.460 0.002 0.000 0.277 576 C C 2.682 177.640 174.990 -0.053 0.000 1.262 576 C CA 1.043 60.030 59.018 -0.052 0.000 1.733 576 C CB -1.429 26.279 27.740 -0.053 0.000 2.010 576 C HN 0.629 nan 8.230 nan 0.000 0.483 577 N N 0.694 119.369 118.700 -0.041 0.000 2.120 577 N HA -0.153 4.588 4.740 0.002 0.000 0.188 577 N C 1.799 177.286 175.510 -0.037 0.000 1.024 577 N CA 1.220 54.248 53.050 -0.037 0.000 0.852 577 N CB -0.622 37.850 38.487 -0.026 0.000 1.003 577 N HN 0.682 nan 8.380 nan 0.000 0.424 578 E N 0.836 121.017 120.200 -0.033 0.000 2.085 578 E HA -0.123 4.228 4.350 0.002 0.000 0.194 578 E C 1.350 177.925 176.600 -0.041 0.000 0.994 578 E CA 0.801 57.182 56.400 -0.031 0.000 0.801 578 E CB 0.004 29.689 29.700 -0.025 0.000 0.743 578 E HN 0.318 nan 8.360 nan 0.000 0.453 579 L N -0.384 120.808 121.223 -0.052 0.000 2.592 579 L HA 0.238 4.579 4.340 0.002 0.000 0.227 579 L C 1.246 178.066 176.870 -0.084 0.000 1.127 579 L CA 0.293 55.094 54.840 -0.065 0.000 0.884 579 L CB 0.243 42.259 42.059 -0.071 0.000 1.065 579 L HN 0.357 nan 8.230 nan 0.000 0.457 580 G N 1.310 110.063 108.800 -0.079 0.000 2.176 580 G HA2 -0.283 3.678 3.960 0.002 0.000 0.252 580 G HA3 -0.283 3.678 3.960 0.002 0.000 0.252 580 G C 0.070 174.886 174.900 -0.139 0.000 1.024 580 G CA -0.033 45.011 45.100 -0.094 0.000 0.755 580 G HN 0.324 nan 8.290 nan 0.000 0.507 581 I N 0.783 121.274 120.570 -0.133 0.000 2.392 581 I HA 0.333 4.504 4.170 0.002 0.000 0.295 581 I C 0.605 176.651 176.117 -0.118 0.000 0.985 581 I CA -0.565 60.632 61.300 -0.172 0.000 1.221 581 I CB 1.697 39.611 38.000 -0.143 0.000 1.366 581 I HN 0.016 nan 8.210 nan 0.000 0.467 582 T N 7.083 121.567 114.554 -0.117 0.000 2.743 582 T HA 0.410 4.760 4.350 0.002 0.000 0.293 582 T C -0.496 174.208 174.700 0.006 0.000 0.945 582 T CA -0.228 61.870 62.100 -0.005 0.000 1.030 582 T CB 0.695 69.647 68.868 0.140 0.000 0.912 582 T HN 0.200 nan 8.240 nan 0.000 0.483 583 L N 5.229 126.438 121.223 -0.022 0.000 2.341 583 L HA 0.714 5.055 4.340 0.002 0.000 0.278 583 L C -1.410 175.429 176.870 -0.051 0.000 1.005 583 L CA -0.660 54.153 54.840 -0.046 0.000 0.818 583 L CB 1.116 43.103 42.059 -0.119 0.000 1.259 583 L HN 0.487 nan 8.230 nan 0.000 0.418 584 I N 4.545 125.120 120.570 0.008 0.000 2.362 584 I HA 0.390 4.561 4.170 0.002 0.000 0.289 584 I C -0.333 175.862 176.117 0.129 0.000 0.994 584 I CA -0.089 61.258 61.300 0.079 0.000 1.158 584 I CB 1.350 39.465 38.000 0.192 0.000 1.315 584 I HN 0.565 nan 8.210 nan 0.000 0.451 585 H N 3.593 122.699 119.070 0.059 0.000 2.458 585 H HA 0.617 5.174 4.556 0.002 0.000 0.330 585 H C 0.012 175.349 175.328 0.014 0.000 1.111 585 H CA -0.587 55.478 56.048 0.028 0.000 1.245 585 H CB 1.454 31.224 29.762 0.014 0.000 1.456 585 H HN 0.688 nan 8.280 nan 0.000 0.488 586 T N -0.261 114.353 114.554 0.100 0.000 2.883 586 T HA 0.165 4.516 4.350 0.002 0.000 0.284 586 T C 0.361 175.034 174.700 -0.045 0.000 1.041 586 T CA -1.015 61.092 62.100 0.013 0.000 1.007 586 T CB 1.579 70.439 68.868 -0.012 0.000 1.220 586 T HN 0.529 nan 8.240 nan 0.000 0.552 587 N N -0.555 118.109 118.700 -0.059 0.000 2.351 587 N HA 0.288 5.029 4.740 0.002 0.000 0.254 587 N C -1.104 174.354 175.510 -0.087 0.000 1.241 587 N CA -0.399 52.606 53.050 -0.074 0.000 0.883 587 N CB -0.091 38.359 38.487 -0.062 0.000 1.202 587 N HN 0.547 nan 8.380 nan 0.000 0.512 588 L N 0.845 122.010 121.223 -0.096 0.000 2.366 588 L HA 0.510 4.851 4.340 0.002 0.000 0.266 588 L C -0.340 176.443 176.870 -0.146 0.000 1.010 588 L CA -0.585 54.188 54.840 -0.112 0.000 0.879 588 L CB 0.614 42.609 42.059 -0.105 0.000 1.228 588 L HN 0.010 nan 8.230 nan 0.000 0.439 589 R N 3.788 124.175 120.500 -0.189 0.000 2.490 589 R HA 0.485 4.826 4.340 0.002 0.000 0.278 589 R C -0.482 175.670 176.300 -0.248 0.000 1.069 589 R CA -0.307 55.616 56.100 -0.295 0.000 1.080 589 R CB 0.664 30.698 30.300 -0.443 0.000 1.030 589 R HN 0.806 nan 8.270 nan 0.000 0.491 590 L N 5.030 126.112 121.223 -0.235 0.000 3.168 590 L HA 0.306 4.647 4.340 0.002 0.000 0.277 590 L C -0.670 176.217 176.870 0.029 0.000 1.308 590 L CA -0.604 54.165 54.840 -0.119 0.000 0.976 590 L CB 0.091 42.082 42.059 -0.114 0.000 1.383 590 L HN 0.479 nan 8.230 nan 0.000 0.572 591 F N 0.337 120.238 119.950 -0.082 0.000 2.553 591 F HA 0.172 4.700 4.527 0.001 0.000 0.356 591 F C 0.697 176.467 175.800 -0.051 0.000 1.142 591 F CA -0.132 57.818 58.000 -0.083 0.000 1.322 591 F CB 0.074 39.052 39.000 -0.036 0.000 1.126 591 F HN 0.149 nan 8.300 nan 0.000 0.599 592 H N 2.484 121.480 119.070 -0.124 0.000 3.017 592 H HA 0.431 4.988 4.556 0.001 0.000 0.340 592 H C -1.217 173.878 175.328 -0.389 0.000 1.014 592 H CA -0.364 55.587 56.048 -0.162 0.000 1.341 592 H CB 0.661 30.352 29.762 -0.117 0.000 1.739 592 H HN 0.565 nan 8.280 nan 0.000 0.506 593 H N 0.000 118.893 119.070 -0.296 0.000 2.539 593 H HA 0.000 4.557 4.556 0.001 0.000 0.296 593 H CA 0.000 55.893 56.048 -0.259 0.000 1.023 593 H CB 0.000 29.690 29.762 -0.120 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496