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 2b1i_1_B DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.296 176.300 -0.006 0.000 0.893 4 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 4 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 5 Q N 2.078 121.872 119.800 -0.010 0.000 2.274 5 Q HA 0.042 4.435 4.340 0.089 0.000 0.280 5 Q C -0.419 175.569 176.000 -0.020 0.000 1.047 5 Q CA 0.736 56.528 55.803 -0.018 0.000 0.907 5 Q CB 0.680 29.404 28.738 -0.022 0.000 1.171 5 Q HN 0.111 nan 8.270 nan 0.000 0.381 6 Q N 2.669 122.453 119.800 -0.026 0.000 2.317 6 Q HA 0.455 4.848 4.340 0.089 0.000 0.229 6 Q C -0.664 175.306 176.000 -0.050 0.000 0.984 6 Q CA -0.358 55.425 55.803 -0.032 0.000 0.911 6 Q CB 1.010 29.730 28.738 -0.031 0.000 1.217 6 Q HN 0.580 nan 8.270 nan 0.000 0.501 7 L N 0.368 121.555 121.223 -0.059 0.000 2.330 7 L HA 0.731 5.124 4.340 0.089 0.000 0.271 7 L C -0.646 176.163 176.870 -0.102 0.000 1.013 7 L CA -1.102 53.690 54.840 -0.079 0.000 0.816 7 L CB 1.706 43.717 42.059 -0.079 0.000 1.287 7 L HN 0.577 nan 8.230 nan 0.000 0.435 8 A N 2.714 125.459 122.820 -0.126 0.000 2.258 8 A HA 0.640 5.013 4.320 0.089 0.000 0.316 8 A C -0.938 176.557 177.584 -0.148 0.000 1.279 8 A CA -0.412 51.529 52.037 -0.161 0.000 0.876 8 A CB 0.975 19.839 19.000 -0.227 0.000 1.170 8 A HN 0.556 nan 8.150 nan 0.000 0.520 9 L N 4.129 125.270 121.223 -0.137 0.000 2.275 9 L HA 0.692 5.086 4.340 0.089 0.000 0.288 9 L C -1.076 175.723 176.870 -0.117 0.000 1.046 9 L CA -0.082 54.683 54.840 -0.125 0.000 0.805 9 L CB 0.706 42.685 42.059 -0.133 0.000 1.193 9 L HN 0.554 nan 8.230 nan 0.000 0.426 10 L N 4.670 125.832 121.223 -0.103 0.000 2.319 10 L HA 0.626 5.019 4.340 0.089 0.000 0.281 10 L C -0.007 176.832 176.870 -0.052 0.000 1.005 10 L CA -0.393 54.399 54.840 -0.080 0.000 0.828 10 L CB 1.585 43.589 42.059 -0.092 0.000 1.227 10 L HN 0.681 nan 8.230 nan 0.000 0.415 11 S N 3.167 118.844 115.700 -0.037 0.000 2.461 11 S HA 0.590 5.113 4.470 0.089 0.000 0.216 11 S C -0.834 173.752 174.600 -0.023 0.000 1.201 11 S CA -0.532 57.646 58.200 -0.036 0.000 1.171 11 S CB 0.885 64.044 63.200 -0.067 0.000 1.169 11 S HN 0.443 nan 8.310 nan 0.000 0.456 12 V N 2.253 122.176 119.914 0.015 0.000 2.656 12 V HA 0.680 4.854 4.120 0.089 0.000 0.307 12 V C 0.829 176.962 176.094 0.065 0.000 1.051 12 V CA -0.552 61.774 62.300 0.045 0.000 0.893 12 V CB 1.467 33.350 31.823 0.101 0.000 0.999 12 V HN 0.484 nan 8.190 nan 0.000 0.426 13 S N 1.873 117.619 115.700 0.076 0.000 2.371 13 S HA -0.019 4.504 4.470 0.089 0.000 0.224 13 S C 0.842 175.505 174.600 0.104 0.000 1.029 13 S CA 1.453 59.732 58.200 0.130 0.000 0.978 13 S CB -0.131 63.181 63.200 0.187 0.000 0.833 13 S HN 0.967 nan 8.310 nan 0.000 0.466 14 E N 1.179 121.434 120.200 0.091 0.000 2.046 14 E HA 0.307 4.710 4.350 0.089 0.000 0.279 14 E C -0.088 176.573 176.600 0.102 0.000 0.989 14 E CA -0.141 56.307 56.400 0.080 0.000 0.798 14 E CB 0.832 30.567 29.700 0.058 0.000 1.086 14 E HN -0.159 nan 8.360 nan 0.000 0.399 15 K N 2.632 123.089 120.400 0.096 0.000 2.393 15 K HA 0.350 4.723 4.320 0.089 0.000 0.193 15 K C 0.034 176.711 176.600 0.127 0.000 1.026 15 K CA 0.424 56.779 56.287 0.112 0.000 1.064 15 K CB 0.214 32.763 32.500 0.081 0.000 0.833 15 K HN 0.517 nan 8.250 nan 0.000 0.521 16 A N 0.688 123.567 122.820 0.098 0.000 2.580 16 A HA 0.345 4.718 4.320 0.089 0.000 0.244 16 A C 1.442 179.115 177.584 0.149 0.000 1.045 16 A CA 0.987 53.073 52.037 0.083 0.000 0.761 16 A CB -0.894 18.123 19.000 0.029 0.000 0.962 16 A HN 0.578 nan 8.150 nan 0.000 0.512 17 G N 1.333 110.230 108.800 0.162 0.000 2.220 17 G HA2 -0.299 3.714 3.960 0.089 0.000 0.269 17 G HA3 -0.299 3.714 3.960 0.089 0.000 0.269 17 G C 0.870 175.995 174.900 0.375 0.000 0.977 17 G CA 0.863 46.124 45.100 0.268 0.000 0.634 17 G HN 1.394 nan 8.290 nan 0.000 0.539 18 L N 0.872 122.280 121.223 0.308 0.000 2.046 18 L HA 0.118 4.511 4.340 0.089 0.000 0.208 18 L C 2.948 179.859 176.870 0.069 0.000 1.077 18 L CA 2.510 57.443 54.840 0.155 0.000 0.747 18 L CB -0.534 41.599 42.059 0.123 0.000 0.896 18 L HN 0.238 nan 8.230 nan 0.000 0.432 19 V N 0.719 120.679 119.914 0.077 0.000 2.231 19 V HA -0.365 3.809 4.120 0.089 0.000 0.248 19 V C 2.589 178.709 176.094 0.044 0.000 1.054 19 V CA 2.324 64.649 62.300 0.042 0.000 1.015 19 V CB -0.953 30.895 31.823 0.043 0.000 0.638 19 V HN 0.753 nan 8.190 nan 0.000 0.444 20 E N -0.640 119.611 120.200 0.085 0.000 2.152 20 E HA -0.226 4.177 4.350 0.089 0.000 0.192 20 E C 2.198 178.880 176.600 0.136 0.000 0.983 20 E CA 1.223 57.678 56.400 0.091 0.000 0.818 20 E CB -0.459 29.295 29.700 0.091 0.000 0.758 20 E HN 0.469 nan 8.360 nan 0.000 0.467 21 F N 2.523 122.424 119.950 -0.081 0.000 2.075 21 F HA -0.007 4.573 4.527 0.088 0.000 0.297 21 F C 2.416 178.110 175.800 -0.176 0.000 1.113 21 F CA 1.171 59.058 58.000 -0.188 0.000 1.218 21 F CB -0.867 37.806 39.000 -0.546 0.000 0.984 21 F HN 0.113 nan 8.300 nan 0.000 0.472 22 A N 0.356 123.064 122.820 -0.187 0.000 1.933 22 A HA -0.191 4.182 4.320 0.089 0.000 0.218 22 A C 2.364 179.839 177.584 -0.181 0.000 1.175 22 A CA 1.611 53.483 52.037 -0.274 0.000 0.628 22 A CB -0.699 18.195 19.000 -0.177 0.000 0.814 22 A HN 0.440 nan 8.150 nan 0.000 0.444 23 R N -0.211 120.236 120.500 -0.089 0.000 2.091 23 R HA -0.095 4.299 4.340 0.089 0.000 0.238 23 R C 2.511 178.774 176.300 -0.062 0.000 1.136 23 R CA 1.699 57.765 56.100 -0.058 0.000 0.959 23 R CB -0.366 29.924 30.300 -0.016 0.000 0.856 23 R HN 0.518 nan 8.270 nan 0.000 0.437 24 S N 0.985 116.655 115.700 -0.049 0.000 2.368 24 S HA -0.055 4.468 4.470 0.089 0.000 0.224 24 S C 1.960 176.502 174.600 -0.097 0.000 1.029 24 S CA 0.933 59.115 58.200 -0.030 0.000 0.988 24 S CB -0.156 63.080 63.200 0.060 0.000 0.838 24 S HN 0.195 nan 8.310 nan 0.000 0.462 25 L N 1.809 122.898 121.223 -0.223 0.000 2.046 25 L HA -0.145 4.248 4.340 0.089 0.000 0.208 25 L C 2.490 179.258 176.870 -0.171 0.000 1.077 25 L CA 1.199 55.879 54.840 -0.268 0.000 0.747 25 L CB -0.628 41.150 42.059 -0.469 0.000 0.896 25 L HN 0.437 nan 8.230 nan 0.000 0.432 26 N N 0.003 118.612 118.700 -0.152 0.000 2.188 26 N HA -0.163 4.630 4.740 0.089 0.000 0.184 26 N C 1.851 177.318 175.510 -0.072 0.000 1.018 26 N CA 1.032 54.020 53.050 -0.104 0.000 0.858 26 N CB 0.136 38.568 38.487 -0.091 0.000 0.989 26 N HN 0.311 nan 8.380 nan 0.000 0.426 27 A N 1.005 123.789 122.820 -0.062 0.000 1.969 27 A HA 0.015 4.388 4.320 0.089 0.000 0.218 27 A C 0.933 178.495 177.584 -0.036 0.000 1.169 27 A CA 0.455 52.469 52.037 -0.039 0.000 0.635 27 A CB -0.245 18.740 19.000 -0.026 0.000 0.810 27 A HN 0.170 nan 8.150 nan 0.000 0.445 28 L N -1.138 120.058 121.223 -0.046 0.000 2.461 28 L HA 0.237 4.630 4.340 0.089 0.000 0.259 28 L C 1.660 178.503 176.870 -0.046 0.000 1.248 28 L CA 0.814 55.628 54.840 -0.043 0.000 0.823 28 L CB -0.463 41.564 42.059 -0.053 0.000 1.111 28 L HN 0.206 nan 8.230 nan 0.000 0.516 29 G N 1.510 110.286 108.800 -0.039 0.000 3.397 29 G HA2 0.298 4.311 3.960 0.089 0.000 0.248 29 G HA3 0.298 4.311 3.960 0.089 0.000 0.248 29 G C 0.003 174.874 174.900 -0.048 0.000 1.284 29 G CA -0.200 44.877 45.100 -0.038 0.000 1.570 29 G HN 0.294 nan 8.290 nan 0.000 0.587 30 L N 0.989 122.174 121.223 -0.065 0.000 2.313 30 L HA 0.496 4.889 4.340 0.089 0.000 0.283 30 L C 0.852 177.673 176.870 -0.082 0.000 1.013 30 L CA -1.033 53.760 54.840 -0.079 0.000 0.816 30 L CB 1.978 43.973 42.059 -0.107 0.000 1.236 30 L HN 0.182 nan 8.230 nan 0.000 0.419 31 G N 4.261 113.018 108.800 -0.071 0.000 2.364 31 G HA2 0.425 4.438 3.960 0.089 0.000 0.267 31 G HA3 0.425 4.438 3.960 0.089 0.000 0.267 31 G C -0.257 174.591 174.900 -0.086 0.000 1.233 31 G CA -0.485 44.574 45.100 -0.068 0.000 0.885 31 G HN 0.435 nan 8.290 nan 0.000 0.490 32 L N 3.089 124.259 121.223 -0.088 0.000 2.290 32 L HA 0.475 4.868 4.340 0.089 0.000 0.284 32 L C 0.383 177.203 176.870 -0.084 0.000 1.078 32 L CA -0.474 54.305 54.840 -0.101 0.000 0.815 32 L CB 0.855 42.851 42.059 -0.104 0.000 1.162 32 L HN 0.504 nan 8.230 nan 0.000 0.435 33 I N 0.883 121.398 120.570 -0.092 0.000 2.608 33 I HA 0.993 5.216 4.170 0.089 0.000 0.295 33 I C -0.535 175.533 176.117 -0.080 0.000 1.049 33 I CA -0.632 60.620 61.300 -0.080 0.000 1.063 33 I CB 2.183 40.131 38.000 -0.086 0.000 1.248 33 I HN 0.588 nan 8.210 nan 0.000 0.424 34 A N 3.077 125.859 122.820 -0.063 0.000 2.606 34 A HA 0.776 5.149 4.320 0.089 0.000 0.293 34 A C -0.332 177.232 177.584 -0.034 0.000 1.082 34 A CA -0.424 51.582 52.037 -0.052 0.000 0.685 34 A CB 1.452 20.426 19.000 -0.043 0.000 1.284 34 A HN 0.964 nan 8.150 nan 0.000 0.408 35 S N 0.125 115.812 115.700 -0.022 0.000 2.617 35 S HA 0.458 4.982 4.470 0.089 0.000 0.259 35 S C 1.392 176.000 174.600 0.014 0.000 1.301 35 S CA 0.117 58.318 58.200 0.002 0.000 0.984 35 S CB 0.545 63.751 63.200 0.010 0.000 0.954 35 S HN 1.829 nan 8.310 nan 0.000 0.572 36 G N 0.317 109.136 108.800 0.032 0.000 2.433 36 G HA2 0.028 4.041 3.960 0.089 0.000 0.216 36 G HA3 0.028 4.041 3.960 0.089 0.000 0.216 36 G C 1.374 176.293 174.900 0.033 0.000 1.186 36 G CA 0.572 45.691 45.100 0.032 0.000 0.779 36 G HN 0.932 nan 8.290 nan 0.000 0.543 37 G N 0.105 108.933 108.800 0.047 0.000 2.421 37 G HA2 -0.134 3.879 3.960 0.089 0.000 0.216 37 G HA3 -0.134 3.879 3.960 0.089 0.000 0.216 37 G C 1.865 176.788 174.900 0.038 0.000 1.171 37 G CA 1.783 46.912 45.100 0.049 0.000 0.775 37 G HN 0.388 nan 8.290 nan 0.000 0.543 38 T N 1.724 116.298 114.554 0.034 0.000 2.708 38 T HA 0.019 4.423 4.350 0.089 0.000 0.266 38 T C 2.833 177.539 174.700 0.009 0.000 1.037 38 T CA 1.539 63.653 62.100 0.023 0.000 1.146 38 T CB -0.423 68.453 68.868 0.013 0.000 0.865 38 T HN 0.369 nan 8.240 nan 0.000 0.435 39 A N 1.473 124.295 122.820 0.003 0.000 1.883 39 A HA -0.165 4.208 4.320 0.089 0.000 0.217 39 A C 2.569 180.153 177.584 0.001 0.000 1.186 39 A CA 2.257 54.290 52.037 -0.005 0.000 0.624 39 A CB -1.395 17.600 19.000 -0.008 0.000 0.822 39 A HN 0.481 nan 8.150 nan 0.000 0.444 40 T N 0.378 114.938 114.554 0.009 0.000 2.684 40 T HA -0.081 4.323 4.350 0.089 0.000 0.267 40 T C 2.235 176.943 174.700 0.013 0.000 1.036 40 T CA 1.848 63.955 62.100 0.011 0.000 1.148 40 T CB -0.569 68.309 68.868 0.017 0.000 0.863 40 T HN 0.637 nan 8.240 nan 0.000 0.436 41 A N 1.229 124.060 122.820 0.018 0.000 1.908 41 A HA -0.038 4.335 4.320 0.089 0.000 0.218 41 A C 2.333 179.926 177.584 0.016 0.000 1.181 41 A CA 1.352 53.402 52.037 0.022 0.000 0.627 41 A CB -0.887 18.132 19.000 0.032 0.000 0.818 41 A HN 0.493 nan 8.150 nan 0.000 0.445 42 L N -1.378 119.850 121.223 0.007 0.000 2.093 42 L HA -0.143 4.250 4.340 0.089 0.000 0.208 42 L C 2.835 179.703 176.870 -0.004 0.000 1.085 42 L CA 1.258 56.097 54.840 -0.002 0.000 0.755 42 L CB -0.471 41.577 42.059 -0.017 0.000 0.904 42 L HN 0.355 nan 8.230 nan 0.000 0.435 43 R N -0.125 120.373 120.500 -0.003 0.000 2.148 43 R HA -0.108 4.285 4.340 0.089 0.000 0.223 43 R C 1.632 177.932 176.300 0.001 0.000 1.088 43 R CA 0.959 57.057 56.100 -0.004 0.000 0.985 43 R CB -0.270 30.028 30.300 -0.004 0.000 0.880 43 R HN 0.355 nan 8.270 nan 0.000 0.451 44 D N 0.775 121.178 120.400 0.005 0.000 2.263 44 D HA -0.110 4.584 4.640 0.089 0.000 0.208 44 D C 1.057 177.362 176.300 0.008 0.000 0.971 44 D CA 1.055 55.059 54.000 0.007 0.000 0.867 44 D CB 0.125 40.932 40.800 0.011 0.000 0.929 44 D HN 0.234 nan 8.370 nan 0.000 0.492 45 A N -0.482 122.342 122.820 0.007 0.000 2.460 45 A HA 0.495 4.868 4.320 0.089 0.000 0.258 45 A C 1.487 179.073 177.584 0.003 0.000 1.300 45 A CA 0.517 52.559 52.037 0.008 0.000 0.913 45 A CB -0.018 18.989 19.000 0.012 0.000 1.031 45 A HN 0.137 nan 8.150 nan 0.000 0.512 46 G N -0.654 108.145 108.800 -0.000 0.000 2.176 46 G HA2 -0.193 3.821 3.960 0.089 0.000 0.252 46 G HA3 -0.193 3.821 3.960 0.089 0.000 0.252 46 G C -0.076 174.819 174.900 -0.008 0.000 1.024 46 G CA 0.426 45.524 45.100 -0.003 0.000 0.755 46 G HN 0.644 nan 8.290 nan 0.000 0.507 47 L N 0.598 121.814 121.223 -0.012 0.000 2.319 47 L HA 0.428 4.822 4.340 0.089 0.000 0.281 47 L C -2.088 174.768 176.870 -0.024 0.000 1.005 47 L CA -2.039 52.789 54.840 -0.020 0.000 0.828 47 L CB 2.020 44.064 42.059 -0.025 0.000 1.227 47 L HN -0.131 nan 8.230 nan 0.000 0.415 48 P HA 0.087 nan 4.420 nan 0.000 0.267 48 P C -1.083 176.196 177.300 -0.036 0.000 1.205 48 P CA 0.172 63.256 63.100 -0.027 0.000 0.765 48 P CB 1.131 32.816 31.700 -0.025 0.000 0.828 49 V N 4.124 124.018 119.914 -0.033 0.000 2.932 49 V HA 0.452 4.626 4.120 0.089 0.000 0.307 49 V C -0.895 175.178 176.094 -0.035 0.000 1.147 49 V CA -1.094 61.182 62.300 -0.041 0.000 0.951 49 V CB 2.383 34.179 31.823 -0.044 0.000 1.031 49 V HN 0.368 nan 8.190 nan 0.000 0.426 50 R N 4.011 124.487 120.500 -0.040 0.000 2.254 50 R HA 0.365 4.758 4.340 0.089 0.000 0.318 50 R C -0.420 175.857 176.300 -0.038 0.000 1.031 50 R CA -0.528 55.550 56.100 -0.036 0.000 0.905 50 R CB 0.655 30.932 30.300 -0.039 0.000 1.050 50 R HN 0.806 nan 8.270 nan 0.000 0.456 51 D N 3.608 123.990 120.400 -0.030 0.000 2.399 51 D HA -0.061 4.632 4.640 0.089 0.000 0.241 51 D C 1.637 177.912 176.300 -0.041 0.000 1.133 51 D CA 0.097 54.081 54.000 -0.028 0.000 0.890 51 D CB 1.455 42.246 40.800 -0.015 0.000 1.201 51 D HN 0.448 nan 8.370 nan 0.000 0.432 52 V N 0.549 120.435 119.914 -0.047 0.000 2.407 52 V HA -0.241 3.932 4.120 0.089 0.000 0.248 52 V C 2.361 178.397 176.094 -0.095 0.000 1.055 52 V CA 1.860 64.113 62.300 -0.077 0.000 1.049 52 V CB -0.701 31.078 31.823 -0.073 0.000 0.662 52 V HN 0.579 nan 8.190 nan 0.000 0.455 53 S N 0.544 116.213 115.700 -0.051 0.000 2.381 53 S HA -0.399 4.124 4.470 0.089 0.000 0.230 53 S C 2.081 176.659 174.600 -0.036 0.000 1.052 53 S CA 2.439 60.621 58.200 -0.031 0.000 1.068 53 S CB -0.918 62.287 63.200 0.009 0.000 0.918 53 S HN 0.871 nan 8.310 nan 0.000 0.448 54 D N 0.025 120.406 120.400 -0.031 0.000 2.144 54 D HA -0.101 4.592 4.640 0.089 0.000 0.200 54 D C 2.096 178.379 176.300 -0.027 0.000 0.978 54 D CA 1.172 55.157 54.000 -0.024 0.000 0.833 54 D CB -0.264 40.523 40.800 -0.021 0.000 0.961 54 D HN 0.470 nan 8.370 nan 0.000 0.470 55 L N 0.635 121.830 121.223 -0.046 0.000 2.093 55 L HA -0.089 4.305 4.340 0.089 0.000 0.208 55 L C 2.402 179.245 176.870 -0.044 0.000 1.085 55 L CA 2.192 57.005 54.840 -0.045 0.000 0.755 55 L CB -0.556 41.459 42.059 -0.073 0.000 0.904 55 L HN 0.145 nan 8.230 nan 0.000 0.435 56 T N -4.654 109.841 114.554 -0.097 0.000 3.060 56 T HA 0.249 4.652 4.350 0.089 0.000 0.249 56 T C 1.546 176.252 174.700 0.011 0.000 1.079 56 T CA 0.278 62.311 62.100 -0.112 0.000 1.013 56 T CB -0.129 68.482 68.868 -0.428 0.000 0.975 56 T HN 0.501 nan 8.240 nan 0.000 0.518 57 G N 1.051 109.859 108.800 0.014 0.000 2.200 57 G HA2 -0.287 3.726 3.960 0.089 0.000 0.268 57 G HA3 -0.287 3.726 3.960 0.089 0.000 0.268 57 G C -0.118 174.820 174.900 0.065 0.000 0.986 57 G CA 0.524 45.647 45.100 0.038 0.000 0.677 57 G HN 0.676 nan 8.290 nan 0.000 0.532 58 F N 2.116 122.010 119.950 -0.093 0.000 2.482 58 F HA 0.640 5.220 4.527 0.088 0.000 0.331 58 F C -1.938 173.842 175.800 -0.033 0.000 1.115 58 F CA -2.399 55.578 58.000 -0.038 0.000 0.955 58 F CB 2.320 41.316 39.000 -0.006 0.000 1.136 58 F HN -0.059 nan 8.300 nan 0.000 0.452 59 P HA 0.156 nan 4.420 nan 0.000 0.278 59 P C -1.376 176.066 177.300 0.238 0.000 1.258 59 P CA -0.434 62.696 63.100 0.050 0.000 0.811 59 P CB 0.933 32.588 31.700 -0.075 0.000 1.063 60 E N 1.107 121.409 120.200 0.169 0.000 2.324 60 E HA 0.221 4.624 4.350 0.089 0.000 0.271 60 E C 0.182 176.877 176.600 0.159 0.000 1.028 60 E CA 0.194 56.707 56.400 0.189 0.000 0.890 60 E CB 0.176 29.954 29.700 0.129 0.000 1.004 60 E HN 0.430 nan 8.360 nan 0.000 0.431 61 M N 0.745 120.457 119.600 0.188 0.000 2.658 61 M HA 0.464 4.998 4.480 0.089 0.000 0.295 61 M C -0.540 175.832 176.300 0.119 0.000 1.248 61 M CA -0.893 54.495 55.300 0.146 0.000 0.843 61 M CB 1.655 34.364 32.600 0.181 0.000 1.749 61 M HN 0.490 nan 8.290 nan 0.000 0.464 62 L N 0.452 121.730 121.223 0.092 0.000 3.598 62 L HA -0.160 4.234 4.340 0.089 0.000 0.422 62 L C 0.659 177.573 176.870 0.075 0.000 1.262 62 L CA 0.731 55.618 54.840 0.078 0.000 0.889 62 L CB -2.511 39.597 42.059 0.082 0.000 1.857 62 L HN 1.375 nan 8.230 nan 0.000 0.858 63 G N -0.794 108.047 108.800 0.067 0.000 2.272 63 G HA2 0.104 4.117 3.960 0.089 0.000 0.280 63 G HA3 0.104 4.117 3.960 0.089 0.000 0.280 63 G C 1.117 176.064 174.900 0.079 0.000 1.067 63 G CA 0.595 45.730 45.100 0.059 0.000 0.902 63 G HN 1.971 nan 8.290 nan 0.000 0.500 64 G N -1.114 107.746 108.800 0.100 0.000 2.168 64 G HA2 -0.374 3.639 3.960 0.089 0.000 0.257 64 G HA3 -0.374 3.639 3.960 0.089 0.000 0.257 64 G C 1.150 176.152 174.900 0.170 0.000 0.997 64 G CA 1.338 46.520 45.100 0.137 0.000 0.708 64 G HN 0.959 nan 8.290 nan 0.000 0.520 65 R N -1.106 119.479 120.500 0.141 0.000 2.235 65 R HA 0.219 4.612 4.340 0.089 0.000 0.213 65 R C 0.451 176.817 176.300 0.111 0.000 1.059 65 R CA 1.191 57.377 56.100 0.143 0.000 0.997 65 R CB 0.235 30.602 30.300 0.113 0.000 0.884 65 R HN 0.344 nan 8.270 nan 0.000 0.462 66 V N 0.845 120.822 119.914 0.106 0.000 2.419 66 V HA 0.197 4.370 4.120 0.089 0.000 0.287 66 V C -0.080 176.088 176.094 0.124 0.000 1.017 66 V CA -0.502 61.840 62.300 0.070 0.000 0.844 66 V CB 1.689 33.539 31.823 0.047 0.000 1.011 66 V HN 0.112 nan 8.190 nan 0.000 0.429 67 K N 1.639 122.103 120.400 0.106 0.000 2.424 67 K HA 0.136 4.509 4.320 0.089 0.000 0.200 67 K C 1.303 178.016 176.600 0.189 0.000 1.279 67 K CA 0.904 57.279 56.287 0.146 0.000 0.918 67 K CB 0.928 33.483 32.500 0.092 0.000 1.287 67 K HN 0.718 nan 8.250 nan 0.000 0.502 68 T N -1.481 113.146 114.554 0.121 0.000 3.087 68 T HA 0.306 4.709 4.350 0.089 0.000 0.283 68 T C 0.386 175.141 174.700 0.090 0.000 0.956 68 T CA -0.380 61.795 62.100 0.125 0.000 0.894 68 T CB 0.018 68.873 68.868 -0.021 0.000 1.160 68 T HN -0.110 nan 8.240 nan 0.000 0.532 69 L N 3.605 124.796 121.223 -0.053 0.000 2.376 69 L HA 0.376 4.770 4.340 0.089 0.000 0.250 69 L C -0.067 176.576 176.870 -0.379 0.000 1.335 69 L CA -0.034 54.745 54.840 -0.100 0.000 1.214 69 L CB -0.699 41.270 42.059 -0.151 0.000 1.395 69 L HN 0.343 nan 8.230 nan 0.000 0.424 70 H N 0.781 119.870 119.070 0.033 0.000 2.930 70 H HA 0.254 4.864 4.556 0.089 0.000 0.371 70 H C -1.824 173.474 175.328 -0.049 0.000 1.169 70 H CA -1.541 54.457 56.048 -0.084 0.000 1.157 70 H CB 2.274 31.944 29.762 -0.153 0.000 1.789 70 H HN -0.014 nan 8.280 nan 0.000 0.547 71 P HA -0.124 nan 4.420 nan 0.000 0.218 71 P C 1.211 178.290 177.300 -0.368 0.000 1.149 71 P CA 1.424 64.523 63.100 -0.001 0.000 0.817 71 P CB 0.179 31.964 31.700 0.141 0.000 0.785 72 A N 0.103 122.535 122.820 -0.646 0.000 1.883 72 A HA -0.137 4.236 4.320 0.089 0.000 0.217 72 A C 2.494 179.653 177.584 -0.709 0.000 1.186 72 A CA 2.087 53.344 52.037 -1.300 0.000 0.624 72 A CB -1.616 16.971 19.000 -0.689 0.000 0.822 72 A HN 0.075 nan 8.150 nan 0.000 0.444 73 V N -0.616 119.066 119.914 -0.386 0.000 2.255 73 V HA -0.204 3.969 4.120 0.089 0.000 0.243 73 V C 2.477 178.369 176.094 -0.338 0.000 1.038 73 V CA 1.985 64.085 62.300 -0.334 0.000 1.008 73 V CB -1.037 30.593 31.823 -0.322 0.000 0.645 73 V HN 0.644 nan 8.190 nan 0.000 0.449 74 H N 0.151 119.132 119.070 -0.148 0.000 2.353 74 H HA -0.048 4.561 4.556 0.088 0.000 0.300 74 H C 2.349 177.627 175.328 -0.084 0.000 1.090 74 H CA 1.727 57.716 56.048 -0.098 0.000 1.327 74 H CB -0.363 29.356 29.762 -0.072 0.000 1.383 74 H HN 0.450 nan 8.280 nan 0.000 0.508 75 A N 0.694 123.506 122.820 -0.013 0.000 1.933 75 A HA -0.083 4.291 4.320 0.089 0.000 0.218 75 A C 2.822 180.404 177.584 -0.004 0.000 1.175 75 A CA 1.477 53.532 52.037 0.031 0.000 0.628 75 A CB -1.036 18.052 19.000 0.147 0.000 0.814 75 A HN 0.460 nan 8.150 nan 0.000 0.444 76 G N -0.173 108.557 108.800 -0.116 0.000 2.432 76 G HA2 -0.142 3.871 3.960 0.089 0.000 0.219 76 G HA3 -0.142 3.871 3.960 0.089 0.000 0.219 76 G C 1.462 176.329 174.900 -0.055 0.000 1.135 76 G CA 1.181 46.231 45.100 -0.082 0.000 0.767 76 G HN 0.502 nan 8.290 nan 0.000 0.550 77 I N -0.330 120.202 120.570 -0.064 0.000 2.494 77 I HA 0.100 4.323 4.170 0.089 0.000 0.250 77 I C 2.355 178.474 176.117 0.004 0.000 1.112 77 I CA 0.448 61.724 61.300 -0.040 0.000 1.438 77 I CB 0.019 37.984 38.000 -0.059 0.000 1.111 77 I HN 0.066 nan 8.210 nan 0.000 0.431 78 L N 0.645 121.887 121.223 0.031 0.000 2.446 78 L HA 0.195 4.588 4.340 0.089 0.000 0.219 78 L C 1.366 178.255 176.870 0.033 0.000 1.116 78 L CA -0.358 54.509 54.840 0.044 0.000 0.844 78 L CB -0.242 41.856 42.059 0.066 0.000 0.970 78 L HN 0.109 nan 8.230 nan 0.000 0.457 79 A N 1.438 124.278 122.820 0.034 0.000 2.445 79 A HA 0.355 4.729 4.320 0.089 0.000 0.242 79 A C 0.107 177.701 177.584 0.015 0.000 1.075 79 A CA -0.006 52.052 52.037 0.035 0.000 0.777 79 A CB 0.126 19.156 19.000 0.051 0.000 1.013 79 A HN 0.352 nan 8.150 nan 0.000 0.493 80 R N 1.305 121.812 120.500 0.011 0.000 2.803 80 R HA 0.384 4.777 4.340 0.089 0.000 0.276 80 R C -0.723 175.578 176.300 0.001 0.000 0.978 80 R CA -0.948 55.151 56.100 -0.001 0.000 0.939 80 R CB 0.783 31.077 30.300 -0.009 0.000 1.179 80 R HN 0.640 nan 8.270 nan 0.000 0.472 81 N N 1.504 120.202 118.700 -0.004 0.000 2.892 81 N HA 0.118 4.911 4.740 0.089 0.000 0.300 81 N C -1.199 174.310 175.510 -0.003 0.000 1.211 81 N CA 0.180 53.229 53.050 -0.003 0.000 1.158 81 N CB -0.204 38.280 38.487 -0.005 0.000 1.455 81 N HN 0.458 nan 8.380 nan 0.000 0.524 82 I N 2.324 122.894 120.570 0.000 0.000 2.534 82 I HA 0.274 4.497 4.170 0.089 0.000 0.288 82 I C -1.534 174.584 176.117 0.002 0.000 1.077 82 I CA -2.458 58.842 61.300 -0.000 0.000 1.051 82 I CB 2.436 40.435 38.000 -0.000 0.000 1.234 82 I HN 0.197 nan 8.210 nan 0.000 0.425 83 P HA -0.261 nan 4.420 nan 0.000 0.222 83 P C 0.841 178.141 177.300 0.000 0.000 1.157 83 P CA 1.737 64.836 63.100 -0.000 0.000 0.905 83 P CB 0.260 31.959 31.700 -0.001 0.000 0.792 84 E N -0.953 119.247 120.200 0.001 0.000 2.072 84 E HA -0.149 4.254 4.350 0.089 0.000 0.191 84 E C 1.756 178.359 176.600 0.005 0.000 0.985 84 E CA 1.345 57.746 56.400 0.002 0.000 0.801 84 E CB -0.971 28.730 29.700 0.002 0.000 0.750 84 E HN 0.319 nan 8.360 nan 0.000 0.452 85 D N 0.358 120.764 120.400 0.009 0.000 2.117 85 D HA -0.095 4.599 4.640 0.089 0.000 0.197 85 D C 1.474 177.786 176.300 0.019 0.000 0.987 85 D CA 0.805 54.816 54.000 0.018 0.000 0.829 85 D CB -0.219 40.593 40.800 0.020 0.000 0.961 85 D HN 0.072 nan 8.370 nan 0.000 0.460 86 N N 0.347 119.054 118.700 0.012 0.000 2.223 86 N HA -0.111 4.682 4.740 0.089 0.000 0.185 86 N C 1.623 177.133 175.510 0.001 0.000 1.016 86 N CA 1.073 54.129 53.050 0.009 0.000 0.863 86 N CB -0.151 38.338 38.487 0.004 0.000 0.983 86 N HN 0.156 nan 8.380 nan 0.000 0.429 87 A N 1.186 124.004 122.820 -0.003 0.000 1.897 87 A HA -0.103 4.270 4.320 0.089 0.000 0.215 87 A C 1.850 179.421 177.584 -0.021 0.000 1.181 87 A CA 1.234 53.264 52.037 -0.012 0.000 0.620 87 A CB -0.226 18.768 19.000 -0.011 0.000 0.821 87 A HN 0.086 nan 8.150 nan 0.000 0.443 88 D N -0.336 120.057 120.400 -0.012 0.000 2.117 88 D HA -0.133 4.560 4.640 0.089 0.000 0.197 88 D C 2.010 178.286 176.300 -0.041 0.000 0.987 88 D CA 1.233 55.222 54.000 -0.020 0.000 0.829 88 D CB -0.265 40.542 40.800 0.013 0.000 0.961 88 D HN 0.253 nan 8.370 nan 0.000 0.460 89 M N 0.693 120.294 119.600 0.002 0.000 2.086 89 M HA -0.098 4.435 4.480 0.089 0.000 0.261 89 M C 1.856 178.127 176.300 -0.049 0.000 1.067 89 M CA 0.924 56.239 55.300 0.025 0.000 1.116 89 M CB -1.244 31.402 32.600 0.077 0.000 1.348 89 M HN 0.095 nan 8.290 nan 0.000 0.407 90 N N 0.429 119.106 118.700 -0.038 0.000 2.069 90 N HA -0.227 4.566 4.740 0.089 0.000 0.191 90 N C 1.746 177.200 175.510 -0.093 0.000 1.031 90 N CA 1.544 54.564 53.050 -0.050 0.000 0.852 90 N CB -0.140 38.328 38.487 -0.032 0.000 1.018 90 N HN 0.344 nan 8.380 nan 0.000 0.423 91 K N 1.021 121.358 120.400 -0.104 0.000 2.103 91 K HA -0.145 4.228 4.320 0.089 0.000 0.207 91 K C 1.610 178.083 176.600 -0.212 0.000 1.048 91 K CA 1.302 57.514 56.287 -0.125 0.000 0.930 91 K CB 0.188 32.629 32.500 -0.098 0.000 0.716 91 K HN 0.112 nan 8.250 nan 0.000 0.444 92 Q N 0.073 119.652 119.800 -0.368 0.000 2.392 92 Q HA -0.021 4.372 4.340 0.089 0.000 0.203 92 Q C -0.086 175.514 176.000 -0.667 0.000 0.917 92 Q CA 0.563 55.955 55.803 -0.685 0.000 0.939 92 Q CB 0.557 28.474 28.738 -1.368 0.000 1.063 92 Q HN 0.401 nan 8.270 nan 0.000 0.516 93 D N -0.592 119.596 120.400 -0.353 0.000 2.907 93 D HA -0.165 4.529 4.640 0.089 0.000 0.226 93 D C -1.361 174.956 176.300 0.029 0.000 1.141 93 D CA 0.277 54.195 54.000 -0.136 0.000 0.779 93 D CB -1.134 39.620 40.800 -0.077 0.000 1.095 93 D HN 0.025 nan 8.370 nan 0.000 0.430 94 F N 0.808 120.755 119.950 -0.006 0.000 2.404 94 F HA 0.443 5.024 4.527 0.089 0.000 0.345 94 F C 1.355 177.147 175.800 -0.014 0.000 1.110 94 F CA -1.271 56.723 58.000 -0.010 0.000 1.130 94 F CB 1.250 40.247 39.000 -0.005 0.000 1.129 94 F HN -0.174 nan 8.300 nan 0.000 0.500 95 S N 2.918 118.726 115.700 0.179 0.000 2.672 95 S HA 0.656 5.179 4.470 0.089 0.000 0.276 95 S C -0.280 174.347 174.600 0.045 0.000 1.207 95 S CA -1.048 57.200 58.200 0.079 0.000 1.002 95 S CB 1.122 64.344 63.200 0.035 0.000 0.998 95 S HN 0.443 nan 8.310 nan 0.000 0.542 96 L N 1.762 122.998 121.223 0.022 0.000 2.455 96 L HA 0.206 4.599 4.340 0.089 0.000 0.272 96 L C -0.475 176.376 176.870 -0.031 0.000 1.174 96 L CA -0.629 54.210 54.840 -0.002 0.000 0.869 96 L CB 0.210 42.267 42.059 -0.003 0.000 1.130 96 L HN 0.428 nan 8.230 nan 0.000 0.474 97 V N 5.205 125.089 119.914 -0.050 0.000 2.408 97 V HA 0.151 4.324 4.120 0.089 0.000 0.267 97 V C 1.188 177.247 176.094 -0.058 0.000 1.047 97 V CA -0.193 62.065 62.300 -0.071 0.000 0.937 97 V CB 1.091 32.855 31.823 -0.098 0.000 0.999 97 V HN 0.762 nan 8.190 nan 0.000 0.472 98 R N 3.273 123.737 120.500 -0.061 0.000 2.140 98 R HA 0.206 4.599 4.340 0.089 0.000 0.213 98 R C -0.156 176.111 176.300 -0.055 0.000 1.059 98 R CA 0.659 56.728 56.100 -0.051 0.000 1.000 98 R CB 0.646 30.916 30.300 -0.050 0.000 0.910 98 R HN 0.562 nan 8.270 nan 0.000 0.455 99 V N 1.299 121.166 119.914 -0.078 0.000 2.638 99 V HA 0.323 4.497 4.120 0.089 0.000 0.306 99 V C -0.756 175.284 176.094 -0.090 0.000 1.052 99 V CA -0.807 61.444 62.300 -0.080 0.000 0.885 99 V CB 2.182 33.927 31.823 -0.130 0.000 0.999 99 V HN -0.233 nan 8.190 nan 0.000 0.424 100 V N 5.233 125.110 119.914 -0.061 0.000 2.378 100 V HA 0.461 4.634 4.120 0.089 0.000 0.288 100 V C -0.342 175.737 176.094 -0.025 0.000 1.016 100 V CA -0.546 61.713 62.300 -0.068 0.000 0.840 100 V CB 1.942 33.717 31.823 -0.080 0.000 0.994 100 V HN 0.627 nan 8.190 nan 0.000 0.431 101 V N 4.710 124.609 119.914 -0.025 0.000 2.313 101 V HA 0.508 4.681 4.120 0.089 0.000 0.278 101 V C -0.156 175.955 176.094 0.029 0.000 1.017 101 V CA -0.328 62.004 62.300 0.055 0.000 0.823 101 V CB 1.236 33.082 31.823 0.037 0.000 1.010 101 V HN 0.989 nan 8.190 nan 0.000 0.443 102 C N 5.935 125.254 119.300 0.032 0.000 2.888 102 C HA 0.911 5.424 4.460 0.089 0.000 0.308 102 C C -0.996 173.993 174.990 -0.001 0.000 1.213 102 C CA -0.411 58.601 59.018 -0.011 0.000 1.461 102 C CB 1.623 29.320 27.740 -0.071 0.000 1.934 102 C HN 1.094 nan 8.230 nan 0.000 0.474 103 N N 3.563 122.256 118.700 -0.011 0.000 2.494 103 N HA 0.709 5.502 4.740 0.089 0.000 0.270 103 N C -1.682 173.792 175.510 -0.060 0.000 1.285 103 N CA -0.818 52.224 53.050 -0.013 0.000 0.812 103 N CB 0.796 39.309 38.487 0.043 0.000 1.557 103 N HN 0.649 nan 8.380 nan 0.000 0.487 104 L N 0.153 121.328 121.223 -0.080 0.000 2.387 104 L HA 0.490 4.883 4.340 0.089 0.000 0.266 104 L C -0.235 176.664 176.870 0.048 0.000 1.059 104 L CA -1.221 53.508 54.840 -0.185 0.000 0.801 104 L CB 0.378 42.127 42.059 -0.516 0.000 1.223 104 L HN 0.510 nan 8.230 nan 0.000 0.456 105 Y N 1.772 122.119 120.300 0.078 0.000 2.717 105 Y HA 0.007 4.610 4.550 0.088 0.000 0.330 105 Y C -1.569 174.493 175.900 0.271 0.000 1.217 105 Y CA -2.153 56.046 58.100 0.165 0.000 1.506 105 Y CB -0.470 38.109 38.460 0.197 0.000 1.268 105 Y HN 0.266 nan 8.280 nan 0.000 0.561 106 P HA -0.072 nan 4.420 nan 0.000 0.235 106 P C 0.858 178.264 177.300 0.177 0.000 1.720 106 P CA 0.294 63.533 63.100 0.231 0.000 1.003 106 P CB -0.748 31.022 31.700 0.118 0.000 1.968 107 F N 2.414 122.429 119.950 0.108 0.000 2.069 107 F HA -0.268 4.308 4.527 0.081 0.000 0.298 107 F C 2.131 177.830 175.800 -0.168 0.000 1.113 107 F CA 1.734 59.670 58.000 -0.106 0.000 1.214 107 F CB -0.712 38.097 39.000 -0.319 0.000 0.978 107 F HN -0.110 nan 8.300 nan 0.000 0.474 108 V N 0.760 120.694 119.914 0.035 0.000 2.282 108 V HA -0.379 3.794 4.120 0.089 0.000 0.249 108 V C 2.547 178.545 176.094 -0.159 0.000 1.057 108 V CA 2.400 64.660 62.300 -0.067 0.000 1.032 108 V CB -0.713 31.132 31.823 0.037 0.000 0.645 108 V HN 0.314 nan 8.190 nan 0.000 0.447 109 K N -0.589 119.756 120.400 -0.092 0.000 2.063 109 K HA -0.190 4.183 4.320 0.089 0.000 0.208 109 K C 2.211 178.710 176.600 -0.168 0.000 1.048 109 K CA 2.041 58.270 56.287 -0.097 0.000 0.928 109 K CB -0.399 32.075 32.500 -0.043 0.000 0.713 109 K HN 0.553 nan 8.250 nan 0.000 0.442 110 T N 0.907 115.316 114.554 -0.240 0.000 2.708 110 T HA -0.120 4.283 4.350 0.089 0.000 0.266 110 T C 1.865 176.325 174.700 -0.400 0.000 1.037 110 T CA 1.663 63.582 62.100 -0.302 0.000 1.146 110 T CB -0.271 68.392 68.868 -0.342 0.000 0.865 110 T HN 0.224 nan 8.240 nan 0.000 0.435 111 V N 0.712 120.247 119.914 -0.631 0.000 3.141 111 V HA 0.043 4.216 4.120 0.089 0.000 0.265 111 V C 2.378 178.299 176.094 -0.288 0.000 1.126 111 V CA 1.528 63.463 62.300 -0.608 0.000 1.141 111 V CB -0.919 30.295 31.823 -1.015 0.000 0.743 111 V HN 0.481 nan 8.190 nan 0.000 0.492 112 S N 0.384 115.943 115.700 -0.234 0.000 2.461 112 S HA 0.027 4.550 4.470 0.089 0.000 0.228 112 S C 1.278 175.818 174.600 -0.101 0.000 1.005 112 S CA 0.760 58.881 58.200 -0.131 0.000 0.942 112 S CB -0.548 62.589 63.200 -0.106 0.000 0.776 112 S HN 0.656 nan 8.310 nan 0.000 0.514 113 S N 3.545 119.173 115.700 -0.120 0.000 2.549 113 S HA 0.224 4.747 4.470 0.089 0.000 0.283 113 S C -1.194 173.365 174.600 -0.069 0.000 1.320 113 S CA -0.983 57.165 58.200 -0.087 0.000 1.058 113 S CB 1.215 64.358 63.200 -0.093 0.000 0.882 113 S HN 0.452 nan 8.310 nan 0.000 0.498 114 P HA -0.113 nan 4.420 nan 0.000 0.211 114 P C 1.029 178.311 177.300 -0.031 0.000 1.181 114 P CA 1.293 64.373 63.100 -0.033 0.000 0.929 114 P CB -0.227 31.458 31.700 -0.025 0.000 0.789 115 G N 0.339 109.120 108.800 -0.030 0.000 3.474 115 G HA2 0.207 4.220 3.960 0.089 0.000 0.269 115 G HA3 0.207 4.220 3.960 0.089 0.000 0.269 115 G C 0.092 174.975 174.900 -0.027 0.000 1.339 115 G CA -0.258 44.828 45.100 -0.023 0.000 1.258 115 G HN 0.299 nan 8.290 nan 0.000 0.560 116 V N 2.037 121.927 119.914 -0.040 0.000 2.655 116 V HA 0.440 4.613 4.120 0.089 0.000 0.300 116 V C 0.902 176.990 176.094 -0.010 0.000 1.044 116 V CA 0.269 62.535 62.300 -0.057 0.000 1.095 116 V CB 0.987 32.734 31.823 -0.126 0.000 0.952 116 V HN 0.452 nan 8.190 nan 0.000 0.485 117 T N 3.438 117.986 114.554 -0.011 0.000 2.927 117 T HA 0.430 4.833 4.350 0.089 0.000 0.281 117 T C 1.071 175.814 174.700 0.072 0.000 0.998 117 T CA -0.140 61.981 62.100 0.036 0.000 1.019 117 T CB 1.576 70.461 68.868 0.028 0.000 1.061 117 T HN 0.419 nan 8.240 nan 0.000 0.518 118 V N 1.820 121.821 119.914 0.144 0.000 2.255 118 V HA -0.067 4.106 4.120 0.089 0.000 0.247 118 V C -0.351 175.846 176.094 0.172 0.000 1.051 118 V CA 1.503 63.940 62.300 0.229 0.000 1.018 118 V CB -2.006 29.999 31.823 0.302 0.000 0.641 118 V HN 0.759 nan 8.190 nan 0.000 0.445 119 P HA -0.215 nan 4.420 nan 0.000 0.216 119 P C 1.584 178.911 177.300 0.044 0.000 1.157 119 P CA 1.732 64.890 63.100 0.097 0.000 0.880 119 P CB -0.012 31.730 31.700 0.069 0.000 0.791 120 E N -0.448 119.750 120.200 -0.003 0.000 2.085 120 E HA -0.163 4.240 4.350 0.089 0.000 0.194 120 E C 2.203 178.729 176.600 -0.123 0.000 0.994 120 E CA 1.362 57.723 56.400 -0.065 0.000 0.801 120 E CB -0.495 29.153 29.700 -0.087 0.000 0.743 120 E HN 0.168 nan 8.360 nan 0.000 0.453 121 A N 0.653 123.357 122.820 -0.192 0.000 1.855 121 A HA -0.152 4.222 4.320 0.089 0.000 0.215 121 A C 2.493 180.089 177.584 0.021 0.000 1.191 121 A CA 1.275 53.094 52.037 -0.363 0.000 0.613 121 A CB -0.829 17.654 19.000 -0.861 0.000 0.829 121 A HN 0.134 nan 8.150 nan 0.000 0.442 122 V N 0.297 120.297 119.914 0.143 0.000 2.317 122 V HA -0.253 3.920 4.120 0.089 0.000 0.251 122 V C 2.530 178.737 176.094 0.187 0.000 1.065 122 V CA 2.450 64.911 62.300 0.269 0.000 1.049 122 V CB -0.730 31.265 31.823 0.286 0.000 0.651 122 V HN 0.612 nan 8.190 nan 0.000 0.450 123 E N -0.217 120.039 120.200 0.094 0.000 2.482 123 E HA -0.085 4.319 4.350 0.089 0.000 0.196 123 E C 1.726 178.313 176.600 -0.021 0.000 1.047 123 E CA 0.665 57.085 56.400 0.034 0.000 0.869 123 E CB -0.091 29.596 29.700 -0.023 0.000 0.836 123 E HN 0.464 nan 8.360 nan 0.000 0.520 124 K N -0.503 119.942 120.400 0.075 0.000 2.397 124 K HA 0.298 4.671 4.320 0.089 0.000 0.202 124 K C -0.274 176.607 176.600 0.467 0.000 1.022 124 K CA -0.117 56.265 56.287 0.158 0.000 1.141 124 K CB 0.384 32.942 32.500 0.096 0.000 0.857 124 K HN 0.060 nan 8.250 nan 0.000 0.514 125 I N 1.867 122.670 120.570 0.389 0.000 2.421 125 I HA -0.016 4.207 4.170 0.089 0.000 0.291 125 I C 0.102 176.500 176.117 0.468 0.000 1.089 125 I CA -0.187 61.314 61.300 0.336 0.000 1.354 125 I CB 0.359 38.472 38.000 0.187 0.000 1.413 125 I HN 0.067 nan 8.210 nan 0.000 0.513 126 D N 7.119 127.842 120.400 0.539 0.000 2.343 126 D HA 0.124 4.817 4.640 0.089 0.000 0.255 126 D C 0.666 177.023 176.300 0.096 0.000 1.187 126 D CA -0.052 54.047 54.000 0.166 0.000 0.875 126 D CB 1.316 42.002 40.800 -0.190 0.000 1.136 126 D HN 0.331 nan 8.370 nan 0.000 0.469 127 I N 2.802 123.399 120.570 0.044 0.000 2.900 127 I HA 0.039 4.262 4.170 0.089 0.000 0.251 127 I C 2.328 178.433 176.117 -0.022 0.000 1.102 127 I CA 0.467 61.785 61.300 0.031 0.000 1.457 127 I CB -1.324 36.707 38.000 0.052 0.000 1.285 127 I HN 0.469 nan 8.210 nan 0.000 0.459 128 G N 0.901 109.677 108.800 -0.039 0.000 2.402 128 G HA2 -0.125 3.889 3.960 0.089 0.000 0.216 128 G HA3 -0.125 3.889 3.960 0.089 0.000 0.216 128 G C 1.675 176.543 174.900 -0.053 0.000 1.162 128 G CA 0.847 45.935 45.100 -0.021 0.000 0.777 128 G HN 0.465 nan 8.290 nan 0.000 0.539 129 G N 0.549 109.258 108.800 -0.152 0.000 2.418 129 G HA2 -0.146 3.867 3.960 0.089 0.000 0.217 129 G HA3 -0.146 3.867 3.960 0.089 0.000 0.217 129 G C 1.784 176.589 174.900 -0.158 0.000 1.158 129 G CA 1.146 46.137 45.100 -0.181 0.000 0.771 129 G HN 0.292 nan 8.290 nan 0.000 0.545 130 V N 1.634 121.442 119.914 -0.177 0.000 2.282 130 V HA -0.216 3.957 4.120 0.089 0.000 0.249 130 V C 3.342 179.405 176.094 -0.051 0.000 1.057 130 V CA 2.245 64.465 62.300 -0.134 0.000 1.032 130 V CB -0.886 30.879 31.823 -0.096 0.000 0.645 130 V HN 0.485 nan 8.190 nan 0.000 0.447 131 A N -0.545 122.272 122.820 -0.004 0.000 1.930 131 A HA -0.116 4.257 4.320 0.089 0.000 0.217 131 A C 2.188 179.877 177.584 0.175 0.000 1.175 131 A CA 1.618 53.692 52.037 0.062 0.000 0.627 131 A CB -0.461 18.559 19.000 0.034 0.000 0.815 131 A HN 0.520 nan 8.150 nan 0.000 0.443 132 L N -0.697 120.584 121.223 0.098 0.000 1.994 132 L HA -0.208 4.185 4.340 0.089 0.000 0.208 132 L C 2.609 179.445 176.870 -0.056 0.000 1.071 132 L CA 1.333 56.166 54.840 -0.012 0.000 0.745 132 L CB -0.740 41.256 42.059 -0.106 0.000 0.892 132 L HN 0.362 nan 8.230 nan 0.000 0.431 133 L N -0.607 120.555 121.223 -0.102 0.000 2.046 133 L HA -0.206 4.188 4.340 0.089 0.000 0.208 133 L C 2.911 179.625 176.870 -0.260 0.000 1.077 133 L CA 1.369 56.105 54.840 -0.174 0.000 0.747 133 L CB -0.487 41.461 42.059 -0.185 0.000 0.896 133 L HN 0.223 nan 8.230 nan 0.000 0.432 134 R N -0.257 120.133 120.500 -0.183 0.000 2.075 134 R HA -0.089 4.304 4.340 0.089 0.000 0.232 134 R C 2.447 178.717 176.300 -0.049 0.000 1.126 134 R CA 1.213 57.200 56.100 -0.188 0.000 0.963 134 R CB -0.461 29.877 30.300 0.063 0.000 0.858 134 R HN 0.340 nan 8.270 nan 0.000 0.435 135 A N 1.425 124.266 122.820 0.034 0.000 1.877 135 A HA -0.120 4.253 4.320 0.089 0.000 0.216 135 A C 2.387 179.996 177.584 0.041 0.000 1.186 135 A CA 1.729 53.819 52.037 0.089 0.000 0.620 135 A CB -0.662 18.458 19.000 0.200 0.000 0.822 135 A HN 0.391 nan 8.150 nan 0.000 0.443 136 A N -0.172 122.634 122.820 -0.024 0.000 1.877 136 A HA 0.162 4.535 4.320 0.089 0.000 0.216 136 A C 2.521 180.092 177.584 -0.021 0.000 1.186 136 A CA 2.171 54.187 52.037 -0.036 0.000 0.620 136 A CB -1.062 17.894 19.000 -0.073 0.000 0.822 136 A HN 1.080 nan 8.150 nan 0.000 0.443 137 A N -0.267 122.466 122.820 -0.145 0.000 1.933 137 A HA -0.158 4.215 4.320 0.089 0.000 0.218 137 A C 2.141 179.878 177.584 0.255 0.000 1.175 137 A CA 1.955 53.889 52.037 -0.171 0.000 0.628 137 A CB -0.457 17.998 19.000 -0.908 0.000 0.814 137 A HN 0.565 nan 8.150 nan 0.000 0.444 138 K N -0.485 120.092 120.400 0.294 0.000 2.057 138 K HA -0.184 4.189 4.320 0.089 0.000 0.207 138 K C 0.743 177.480 176.600 0.229 0.000 1.049 138 K CA 1.650 58.189 56.287 0.420 0.000 0.931 138 K CB -0.159 32.522 32.500 0.302 0.000 0.714 138 K HN 0.384 nan 8.250 nan 0.000 0.440 139 N N 1.016 119.786 118.700 0.117 0.000 2.558 139 N HA -0.024 4.769 4.740 0.089 0.000 0.281 139 N C 0.635 176.124 175.510 -0.035 0.000 1.219 139 N CA -0.176 52.876 53.050 0.003 0.000 0.942 139 N CB -0.014 38.480 38.487 0.012 0.000 1.241 139 N HN 0.344 nan 8.380 nan 0.000 0.511 140 H N -1.792 117.299 119.070 0.035 0.000 2.546 140 H HA 0.126 4.735 4.556 0.089 0.000 0.277 140 H C 1.415 176.748 175.328 0.009 0.000 1.004 140 H CA 0.803 56.857 56.048 0.011 0.000 1.231 140 H CB -0.125 29.649 29.762 0.020 0.000 1.382 140 H HN 0.229 nan 8.280 nan 0.000 0.580 141 A N 1.563 124.109 122.820 -0.456 0.000 1.986 141 A HA -0.210 4.163 4.320 0.089 0.000 0.220 141 A C 2.524 180.055 177.584 -0.087 0.000 1.171 141 A CA 2.019 53.918 52.037 -0.230 0.000 0.640 141 A CB -0.518 18.354 19.000 -0.213 0.000 0.811 141 A HN 0.486 nan 8.150 nan 0.000 0.451 142 R N -2.089 118.371 120.500 -0.066 0.000 2.320 142 R HA 0.218 4.611 4.340 0.089 0.000 0.193 142 R C -0.449 175.842 176.300 -0.015 0.000 0.885 142 R CA 0.352 56.433 56.100 -0.031 0.000 1.085 142 R CB 0.616 30.898 30.300 -0.029 0.000 1.253 142 R HN 0.222 nan 8.270 nan 0.000 0.636 143 V N 2.411 122.320 119.914 -0.009 0.000 2.530 143 V HA 0.193 4.366 4.120 0.089 0.000 0.282 143 V C -0.092 176.006 176.094 0.008 0.000 1.048 143 V CA -0.064 62.232 62.300 -0.007 0.000 0.997 143 V CB 1.462 33.278 31.823 -0.012 0.000 0.987 143 V HN 0.186 nan 8.190 nan 0.000 0.477 144 T N 4.917 119.468 114.554 -0.005 0.000 2.723 144 T HA 0.297 4.701 4.350 0.089 0.000 0.297 144 T C -0.246 174.451 174.700 -0.006 0.000 0.925 144 T CA 0.055 62.154 62.100 -0.002 0.000 1.030 144 T CB 1.065 69.940 68.868 0.012 0.000 0.905 144 T HN 0.496 nan 8.240 nan 0.000 0.502 145 V N 6.012 125.912 119.914 -0.023 0.000 2.398 145 V HA 0.599 4.772 4.120 0.089 0.000 0.286 145 V C -0.721 175.360 176.094 -0.021 0.000 1.026 145 V CA -0.432 61.844 62.300 -0.041 0.000 0.868 145 V CB 1.145 32.908 31.823 -0.099 0.000 0.982 145 V HN 0.669 nan 8.190 nan 0.000 0.443 146 V N 6.948 126.884 119.914 0.038 0.000 2.376 146 V HA 0.275 4.449 4.120 0.089 0.000 0.287 146 V C 0.597 176.736 176.094 0.075 0.000 1.015 146 V CA -0.283 62.074 62.300 0.095 0.000 0.834 146 V CB 1.012 33.011 31.823 0.294 0.000 1.001 146 V HN 1.075 nan 8.190 nan 0.000 0.428 147 C N -0.055 119.214 119.300 -0.052 0.000 3.243 147 C HA 0.474 4.987 4.460 0.089 0.000 0.286 147 C C 0.234 175.162 174.990 -0.103 0.000 1.373 147 C CA -0.176 58.786 59.018 -0.094 0.000 1.749 147 C CB -0.767 26.840 27.740 -0.221 0.000 2.313 147 C HN 0.759 nan 8.230 nan 0.000 0.644 148 D N 0.868 121.190 120.400 -0.131 0.000 2.686 148 D HA 0.369 5.062 4.640 0.089 0.000 0.249 148 D C -2.097 173.899 176.300 -0.507 0.000 1.260 148 D CA -1.634 52.243 54.000 -0.204 0.000 0.910 148 D CB 2.295 43.004 40.800 -0.152 0.000 1.323 148 D HN -0.191 nan 8.370 nan 0.000 0.561 149 P HA -0.154 nan 4.420 nan 0.000 0.218 149 P C 1.051 177.797 177.300 -0.924 0.000 1.146 149 P CA 1.394 63.564 63.100 -1.551 0.000 0.820 149 P CB 0.278 31.542 31.700 -0.726 0.000 0.778 150 A N -0.237 122.301 122.820 -0.469 0.000 1.978 150 A HA -0.211 4.162 4.320 0.089 0.000 0.220 150 A C 1.852 179.294 177.584 -0.236 0.000 1.170 150 A CA 1.887 53.764 52.037 -0.267 0.000 0.636 150 A CB -1.074 17.831 19.000 -0.158 0.000 0.810 150 A HN 0.136 nan 8.150 nan 0.000 0.448 151 D N -1.727 118.510 120.400 -0.270 0.000 2.349 151 D HA -0.004 4.689 4.640 0.089 0.000 0.215 151 D C 1.166 177.346 176.300 -0.201 0.000 1.016 151 D CA 0.273 54.178 54.000 -0.159 0.000 0.870 151 D CB -0.168 40.585 40.800 -0.079 0.000 0.917 151 D HN 0.475 nan 8.370 nan 0.000 0.524 152 Y N 2.098 122.086 120.300 -0.519 0.000 2.097 152 Y HA -0.209 4.394 4.550 0.088 0.000 0.282 152 Y C 2.750 178.277 175.900 -0.622 0.000 1.152 152 Y CA 0.744 58.211 58.100 -1.055 0.000 1.136 152 Y CB -1.139 36.815 38.460 -0.843 0.000 0.975 152 Y HN -0.002 nan 8.280 nan 0.000 0.498 153 S N -0.854 114.782 115.700 -0.106 0.000 2.387 153 S HA -0.141 4.383 4.470 0.089 0.000 0.226 153 S C 2.164 176.762 174.600 -0.005 0.000 1.026 153 S CA 1.011 59.200 58.200 -0.019 0.000 0.972 153 S CB -0.810 62.393 63.200 0.006 0.000 0.814 153 S HN 0.347 nan 8.310 nan 0.000 0.477 154 S N 2.169 117.854 115.700 -0.024 0.000 2.369 154 S HA -0.124 4.399 4.470 0.089 0.000 0.225 154 S C 2.043 176.666 174.600 0.039 0.000 1.043 154 S CA 1.580 59.786 58.200 0.010 0.000 1.074 154 S CB -0.900 62.308 63.200 0.013 0.000 0.962 154 S HN 0.394 nan 8.310 nan 0.000 0.433 155 V N 2.239 122.168 119.914 0.026 0.000 2.261 155 V HA -0.216 3.957 4.120 0.089 0.000 0.246 155 V C 2.750 178.958 176.094 0.190 0.000 1.047 155 V CA 1.731 64.096 62.300 0.108 0.000 1.015 155 V CB -1.409 30.503 31.823 0.148 0.000 0.642 155 V HN 0.569 nan 8.190 nan 0.000 0.446 156 A N -0.049 122.934 122.820 0.272 0.000 1.892 156 A HA -0.252 4.121 4.320 0.089 0.000 0.218 156 A C 2.261 179.926 177.584 0.135 0.000 1.188 156 A CA 1.999 54.203 52.037 0.279 0.000 0.631 156 A CB -0.466 18.727 19.000 0.323 0.000 0.822 156 A HN 0.459 nan 8.150 nan 0.000 0.447 157 K N -0.342 120.116 120.400 0.096 0.000 2.097 157 K HA -0.152 4.221 4.320 0.089 0.000 0.205 157 K C 1.933 178.567 176.600 0.056 0.000 1.050 157 K CA 1.514 57.839 56.287 0.063 0.000 0.938 157 K CB -0.447 32.081 32.500 0.047 0.000 0.718 157 K HN 0.812 nan 8.250 nan 0.000 0.442 158 E N 0.738 120.975 120.200 0.062 0.000 2.072 158 E HA -0.106 4.297 4.350 0.089 0.000 0.191 158 E C 2.013 178.641 176.600 0.046 0.000 0.985 158 E CA 0.858 57.290 56.400 0.052 0.000 0.801 158 E CB 0.062 29.795 29.700 0.056 0.000 0.750 158 E HN 0.206 nan 8.360 nan 0.000 0.452 159 M N 0.250 119.883 119.600 0.056 0.000 2.132 159 M HA -0.056 4.477 4.480 0.089 0.000 0.263 159 M C 2.477 178.794 176.300 0.028 0.000 1.065 159 M CA 1.319 56.642 55.300 0.039 0.000 1.122 159 M CB -0.120 32.505 32.600 0.042 0.000 1.365 159 M HN 0.172 nan 8.290 nan 0.000 0.411 160 A N 0.392 123.233 122.820 0.036 0.000 2.019 160 A HA 0.016 4.389 4.320 0.089 0.000 0.219 160 A C 2.265 179.861 177.584 0.021 0.000 1.164 160 A CA 1.857 53.910 52.037 0.026 0.000 0.644 160 A CB -0.655 18.365 19.000 0.032 0.000 0.805 160 A HN 0.512 nan 8.150 nan 0.000 0.449 161 A N -0.961 121.873 122.820 0.024 0.000 2.147 161 A HA 0.345 4.718 4.320 0.089 0.000 0.211 161 A C 1.456 179.050 177.584 0.017 0.000 1.160 161 A CA 0.780 52.829 52.037 0.020 0.000 0.781 161 A CB -0.431 18.583 19.000 0.023 0.000 0.842 161 A HN 0.512 nan 8.150 nan 0.000 0.475 162 S N -0.110 115.600 115.700 0.018 0.000 2.562 162 S HA 0.139 4.662 4.470 0.089 0.000 0.281 162 S C 1.075 175.681 174.600 0.010 0.000 1.333 162 S CA -0.277 57.932 58.200 0.015 0.000 1.052 162 S CB 0.604 63.813 63.200 0.015 0.000 0.884 162 S HN 0.424 nan 8.310 nan 0.000 0.506 163 K N 2.068 122.473 120.400 0.008 0.000 2.063 163 K HA -0.136 4.237 4.320 0.089 0.000 0.208 163 K C 0.640 177.241 176.600 0.003 0.000 1.048 163 K CA 1.999 58.290 56.287 0.006 0.000 0.928 163 K CB -0.304 32.199 32.500 0.006 0.000 0.713 163 K HN 0.840 nan 8.250 nan 0.000 0.442 164 D N 0.013 120.415 120.400 0.003 0.000 2.395 164 D HA 0.061 4.754 4.640 0.089 0.000 0.226 164 D C -0.676 175.622 176.300 -0.003 0.000 1.146 164 D CA -0.251 53.749 54.000 -0.001 0.000 0.830 164 D CB 0.057 40.856 40.800 -0.001 0.000 0.958 164 D HN -0.077 nan 8.370 nan 0.000 0.501 165 K N -0.061 120.338 120.400 -0.001 0.000 3.177 165 K HA -0.213 4.160 4.320 0.089 0.000 0.266 165 K C -0.661 175.936 176.600 -0.005 0.000 0.937 165 K CA 0.779 57.064 56.287 -0.003 0.000 0.702 165 K CB -1.151 31.343 32.500 -0.011 0.000 1.365 165 K HN 0.409 nan 8.250 nan 0.000 0.466 166 D N -0.589 119.812 120.400 0.002 0.000 2.552 166 D HA 0.286 4.979 4.640 0.089 0.000 0.239 166 D C -0.211 176.097 176.300 0.012 0.000 1.139 166 D CA -0.240 53.761 54.000 0.002 0.000 0.914 166 D CB 1.373 42.173 40.800 -0.001 0.000 1.461 166 D HN 0.106 nan 8.370 nan 0.000 0.462 167 T N -1.003 113.559 114.554 0.013 0.000 2.766 167 T HA 0.491 4.894 4.350 0.089 0.000 0.295 167 T C 0.739 175.445 174.700 0.011 0.000 1.024 167 T CA -0.692 61.417 62.100 0.015 0.000 1.018 167 T CB 0.560 69.432 68.868 0.005 0.000 1.002 167 T HN 0.346 nan 8.240 nan 0.000 0.532 168 S N 0.060 115.768 115.700 0.014 0.000 2.645 168 S HA 0.249 4.772 4.470 0.089 0.000 0.266 168 S C 1.400 176.010 174.600 0.016 0.000 1.258 168 S CA -0.816 57.395 58.200 0.018 0.000 0.990 168 S CB 0.723 63.939 63.200 0.027 0.000 0.967 168 S HN 0.511 nan 8.310 nan 0.000 0.556 169 V N 1.327 121.257 119.914 0.027 0.000 2.407 169 V HA -0.135 4.038 4.120 0.089 0.000 0.248 169 V C 2.628 178.754 176.094 0.054 0.000 1.055 169 V CA 2.143 64.469 62.300 0.044 0.000 1.049 169 V CB -1.294 30.556 31.823 0.044 0.000 0.662 169 V HN 0.907 nan 8.190 nan 0.000 0.455 170 E N 0.066 120.293 120.200 0.046 0.000 2.028 170 E HA -0.176 4.227 4.350 0.089 0.000 0.191 170 E C 2.345 178.956 176.600 0.018 0.000 0.988 170 E CA 1.882 58.317 56.400 0.059 0.000 0.799 170 E CB -0.322 29.423 29.700 0.075 0.000 0.755 170 E HN 0.581 nan 8.360 nan 0.000 0.447 171 T N 0.818 115.353 114.554 -0.032 0.000 2.665 171 T HA -0.193 4.210 4.350 0.089 0.000 0.268 171 T C 1.771 176.222 174.700 -0.415 0.000 1.035 171 T CA 1.287 63.226 62.100 -0.268 0.000 1.151 171 T CB -0.214 68.584 68.868 -0.117 0.000 0.862 171 T HN 0.130 nan 8.240 nan 0.000 0.438 172 R N 0.642 121.051 120.500 -0.151 0.000 2.096 172 R HA -0.002 4.392 4.340 0.089 0.000 0.235 172 R C 2.780 179.037 176.300 -0.072 0.000 1.127 172 R CA 1.121 57.175 56.100 -0.076 0.000 0.968 172 R CB -0.238 30.090 30.300 0.046 0.000 0.861 172 R HN 0.398 nan 8.270 nan 0.000 0.440 173 R N -0.082 120.399 120.500 -0.031 0.000 2.080 173 R HA -0.190 4.203 4.340 0.089 0.000 0.236 173 R C 2.353 178.583 176.300 -0.118 0.000 1.137 173 R CA 2.135 58.159 56.100 -0.127 0.000 0.943 173 R CB -0.596 29.707 30.300 0.005 0.000 0.846 173 R HN 0.526 nan 8.270 nan 0.000 0.431 174 H N -0.326 118.719 119.070 -0.041 0.000 2.423 174 H HA -0.016 4.593 4.556 0.088 0.000 0.297 174 H C 1.718 177.018 175.328 -0.047 0.000 1.075 174 H CA 0.883 56.910 56.048 -0.035 0.000 1.342 174 H CB -0.294 29.459 29.762 -0.015 0.000 1.395 174 H HN 0.017 nan 8.280 nan 0.000 0.530 175 L N 0.959 122.024 121.223 -0.264 0.000 2.046 175 L HA 0.038 4.432 4.340 0.089 0.000 0.208 175 L C 2.702 179.502 176.870 -0.116 0.000 1.077 175 L CA 1.731 56.481 54.840 -0.149 0.000 0.747 175 L CB -1.499 40.437 42.059 -0.204 0.000 0.896 175 L HN 0.583 nan 8.230 nan 0.000 0.432 176 A N -1.072 121.665 122.820 -0.139 0.000 1.898 176 A HA -0.173 4.200 4.320 0.089 0.000 0.216 176 A C 2.350 179.911 177.584 -0.040 0.000 1.181 176 A CA 1.433 53.380 52.037 -0.150 0.000 0.620 176 A CB -0.735 18.108 19.000 -0.263 0.000 0.819 176 A HN 0.367 nan 8.150 nan 0.000 0.442 177 L N -0.465 120.763 121.223 0.008 0.000 1.989 177 L HA -0.246 4.148 4.340 0.089 0.000 0.211 177 L C 2.618 179.548 176.870 0.100 0.000 1.071 177 L CA 2.485 57.388 54.840 0.104 0.000 0.749 177 L CB -0.424 41.680 42.059 0.074 0.000 0.890 177 L HN 0.527 nan 8.230 nan 0.000 0.431 178 K N -0.443 119.980 120.400 0.039 0.000 2.063 178 K HA -0.225 4.149 4.320 0.089 0.000 0.208 178 K C 1.966 178.528 176.600 -0.063 0.000 1.048 178 K CA 1.554 57.842 56.287 0.002 0.000 0.928 178 K CB -0.111 32.346 32.500 -0.072 0.000 0.713 178 K HN 0.441 nan 8.250 nan 0.000 0.442 179 A N 0.409 123.140 122.820 -0.150 0.000 1.877 179 A HA -0.117 4.257 4.320 0.089 0.000 0.216 179 A C 1.897 179.398 177.584 -0.138 0.000 1.186 179 A CA 1.300 53.202 52.037 -0.226 0.000 0.620 179 A CB -0.770 18.024 19.000 -0.343 0.000 0.822 179 A HN 0.338 nan 8.150 nan 0.000 0.443 180 F N 0.852 120.816 119.950 0.023 0.000 2.216 180 F HA -0.107 4.472 4.527 0.088 0.000 0.300 180 F C 2.699 178.545 175.800 0.078 0.000 1.085 180 F CA 1.666 59.693 58.000 0.044 0.000 1.326 180 F CB -1.032 37.984 39.000 0.027 0.000 1.027 180 F HN 0.142 nan 8.300 nan 0.000 0.497 181 T N -1.876 112.839 114.554 0.268 0.000 2.737 181 T HA -0.186 4.217 4.350 0.089 0.000 0.265 181 T C 1.654 176.499 174.700 0.241 0.000 1.038 181 T CA 1.701 63.937 62.100 0.227 0.000 1.144 181 T CB -0.405 68.589 68.868 0.210 0.000 0.866 181 T HN 0.202 nan 8.240 nan 0.000 0.434 182 H N 1.144 120.254 119.070 0.067 0.000 2.321 182 H HA -0.054 4.556 4.556 0.089 0.000 0.300 182 H C 2.749 178.131 175.328 0.089 0.000 1.087 182 H CA 1.983 58.066 56.048 0.058 0.000 1.319 182 H CB -0.757 29.008 29.762 0.005 0.000 1.379 182 H HN 0.487 nan 8.280 nan 0.000 0.501 183 T N -2.171 112.499 114.554 0.194 0.000 2.821 183 T HA -0.035 4.368 4.350 0.089 0.000 0.267 183 T C 2.332 177.152 174.700 0.200 0.000 1.046 183 T CA 0.999 63.195 62.100 0.161 0.000 1.139 183 T CB -0.598 68.332 68.868 0.103 0.000 0.871 183 T HN 0.340 nan 8.240 nan 0.000 0.454 184 A N 1.718 124.654 122.820 0.193 0.000 1.908 184 A HA -0.176 4.197 4.320 0.089 0.000 0.218 184 A C 2.465 180.126 177.584 0.128 0.000 1.181 184 A CA 1.861 53.990 52.037 0.152 0.000 0.627 184 A CB -0.892 18.192 19.000 0.140 0.000 0.818 184 A HN 0.652 nan 8.150 nan 0.000 0.445 185 Q N -2.494 117.381 119.800 0.126 0.000 2.123 185 Q HA -0.127 4.267 4.340 0.089 0.000 0.199 185 Q C 1.984 178.046 176.000 0.103 0.000 0.966 185 Q CA 1.418 57.273 55.803 0.086 0.000 0.845 185 Q CB -0.265 28.493 28.738 0.033 0.000 0.907 185 Q HN 0.804 nan 8.270 nan 0.000 0.439 186 Y N 1.905 122.209 120.300 0.006 0.000 2.097 186 Y HA -0.277 4.329 4.550 0.093 0.000 0.282 186 Y C 1.684 177.547 175.900 -0.061 0.000 1.152 186 Y CA 1.943 60.035 58.100 -0.014 0.000 1.136 186 Y CB -0.058 38.402 38.460 -0.000 0.000 0.975 186 Y HN 0.104 nan 8.280 nan 0.000 0.498 187 D N -0.350 120.111 120.400 0.101 0.000 2.144 187 D HA -0.149 4.544 4.640 0.089 0.000 0.199 187 D C 2.247 178.525 176.300 -0.037 0.000 0.984 187 D CA 1.293 55.293 54.000 0.000 0.000 0.834 187 D CB -0.596 40.249 40.800 0.075 0.000 0.955 187 D HN 0.451 nan 8.370 nan 0.000 0.465 188 A N 0.992 123.814 122.820 0.004 0.000 1.883 188 A HA -0.129 4.245 4.320 0.089 0.000 0.217 188 A C 2.316 179.876 177.584 -0.039 0.000 1.186 188 A CA 2.438 54.475 52.037 -0.000 0.000 0.624 188 A CB -0.890 18.132 19.000 0.037 0.000 0.822 188 A HN 0.243 nan 8.150 nan 0.000 0.444 189 A N -0.318 122.470 122.820 -0.054 0.000 1.902 189 A HA -0.090 4.284 4.320 0.089 0.000 0.217 189 A C 2.147 179.718 177.584 -0.020 0.000 1.181 189 A CA 1.576 53.603 52.037 -0.016 0.000 0.623 189 A CB -0.598 18.415 19.000 0.021 0.000 0.818 189 A HN 0.510 nan 8.150 nan 0.000 0.443 190 I N -0.311 120.068 120.570 -0.319 0.000 2.179 190 I HA -0.231 3.992 4.170 0.089 0.000 0.242 190 I C 2.726 178.856 176.117 0.022 0.000 1.088 190 I CA 1.476 62.510 61.300 -0.444 0.000 1.357 190 I CB -0.293 37.328 38.000 -0.632 0.000 1.051 190 I HN 0.236 nan 8.210 nan 0.000 0.409 191 S N 0.251 115.968 115.700 0.028 0.000 2.374 191 S HA -0.277 4.246 4.470 0.089 0.000 0.227 191 S C 1.686 176.286 174.600 0.000 0.000 1.037 191 S CA 1.952 60.194 58.200 0.069 0.000 1.024 191 S CB -0.423 62.777 63.200 0.000 0.000 0.861 191 S HN 0.506 nan 8.310 nan 0.000 0.456 192 D N 0.130 120.483 120.400 -0.079 0.000 2.097 192 D HA -0.159 4.534 4.640 0.089 0.000 0.195 192 D C 1.785 178.026 176.300 -0.099 0.000 0.989 192 D CA 1.160 55.056 54.000 -0.174 0.000 0.827 192 D CB -0.360 40.343 40.800 -0.162 0.000 0.966 192 D HN 0.447 nan 8.370 nan 0.000 0.456 193 Y N -0.118 120.100 120.300 -0.136 0.000 2.128 193 Y HA -0.228 4.390 4.550 0.114 0.000 0.284 193 Y C 1.918 177.626 175.900 -0.320 0.000 1.154 193 Y CA 1.838 59.802 58.100 -0.226 0.000 1.149 193 Y CB -0.639 37.705 38.460 -0.194 0.000 0.976 193 Y HN -0.043 nan 8.280 nan 0.000 0.505 194 F N 0.038 119.888 119.950 -0.166 0.000 2.259 194 F HA -0.040 4.526 4.527 0.065 0.000 0.298 194 F C 2.560 178.196 175.800 -0.272 0.000 1.088 194 F CA 1.318 59.112 58.000 -0.343 0.000 1.358 194 F CB -0.678 38.283 39.000 -0.066 0.000 1.040 194 F HN -0.065 nan 8.300 nan 0.000 0.505 195 R N 0.446 120.942 120.500 -0.007 0.000 2.083 195 R HA -0.160 4.233 4.340 0.089 0.000 0.237 195 R C 2.149 178.389 176.300 -0.101 0.000 1.137 195 R CA 1.503 57.579 56.100 -0.040 0.000 0.951 195 R CB -0.222 30.017 30.300 -0.102 0.000 0.851 195 R HN 0.245 nan 8.270 nan 0.000 0.434 196 K N -0.285 119.995 120.400 -0.201 0.000 2.155 196 K HA -0.149 4.224 4.320 0.089 0.000 0.203 196 K C 1.960 178.403 176.600 -0.262 0.000 1.052 196 K CA 1.039 57.203 56.287 -0.206 0.000 0.948 196 K CB 0.039 32.404 32.500 -0.226 0.000 0.728 196 K HN 0.010 nan 8.250 nan 0.000 0.448 197 E N -0.130 119.792 120.200 -0.464 0.000 2.076 197 E HA -0.115 4.288 4.350 0.089 0.000 0.190 197 E C 1.080 177.573 176.600 -0.178 0.000 0.979 197 E CA 1.430 57.518 56.400 -0.520 0.000 0.807 197 E CB 0.121 29.186 29.700 -1.058 0.000 0.761 197 E HN 0.261 nan 8.360 nan 0.000 0.454 198 Y N -1.613 118.664 120.300 -0.039 0.000 2.483 198 Y HA 0.387 4.931 4.550 -0.009 0.000 0.258 198 Y C 1.725 177.617 175.900 -0.014 0.000 1.083 198 Y CA 0.125 58.225 58.100 -0.001 0.000 1.283 198 Y CB 0.240 38.724 38.460 0.038 0.000 1.178 198 Y HN -0.042 nan 8.280 nan 0.000 0.515 199 S N 0.413 116.185 115.700 0.119 0.000 2.663 199 S HA 0.133 4.656 4.470 0.089 0.000 0.243 199 S C 0.193 174.808 174.600 0.025 0.000 1.009 199 S CA -0.616 57.626 58.200 0.069 0.000 0.988 199 S CB -0.529 62.710 63.200 0.066 0.000 0.896 199 S HN 0.348 nan 8.310 nan 0.000 0.502 200 K N 0.349 120.755 120.400 0.010 0.000 2.412 200 K HA 0.460 4.833 4.320 0.089 0.000 0.284 200 K C 1.051 177.646 176.600 -0.008 0.000 1.046 200 K CA 0.798 57.080 56.287 -0.008 0.000 0.999 200 K CB 0.111 32.598 32.500 -0.021 0.000 0.941 200 K HN 0.103 nan 8.250 nan 0.000 0.474 201 G N 1.682 110.472 108.800 -0.017 0.000 2.199 201 G HA2 -0.277 3.736 3.960 0.089 0.000 0.254 201 G HA3 -0.277 3.736 3.960 0.089 0.000 0.254 201 G C 0.449 175.335 174.900 -0.025 0.000 0.982 201 G CA 0.198 45.282 45.100 -0.026 0.000 0.632 201 G HN 0.464 nan 8.290 nan 0.000 0.529 202 V N 0.703 120.610 119.914 -0.011 0.000 2.988 202 V HA 0.294 4.467 4.120 0.089 0.000 0.223 202 V C 2.382 178.471 176.094 -0.008 0.000 1.144 202 V CA 2.256 64.550 62.300 -0.009 0.000 1.242 202 V CB 0.189 32.015 31.823 0.005 0.000 1.073 202 V HN 0.944 nan 8.190 nan 0.000 0.508 203 S N -1.224 114.485 115.700 0.014 0.000 2.539 203 S HA 0.235 4.758 4.470 0.089 0.000 0.221 203 S C 0.449 175.085 174.600 0.061 0.000 0.987 203 S CA -0.134 58.086 58.200 0.032 0.000 0.929 203 S CB 0.336 63.568 63.200 0.053 0.000 0.832 203 S HN 0.458 nan 8.310 nan 0.000 0.492 204 Q N 0.772 120.594 119.800 0.037 0.000 2.331 204 Q HA 0.572 4.965 4.340 0.089 0.000 0.272 204 Q C -2.363 173.643 176.000 0.011 0.000 1.062 204 Q CA -0.682 55.152 55.803 0.051 0.000 0.806 204 Q CB 2.237 30.988 28.738 0.021 0.000 1.312 204 Q HN 0.413 nan 8.270 nan 0.000 0.431 205 L N 5.622 126.849 121.223 0.008 0.000 2.404 205 L HA 0.600 4.993 4.340 0.089 0.000 0.272 205 L C -2.685 174.175 176.870 -0.016 0.000 0.980 205 L CA -1.595 53.231 54.840 -0.024 0.000 0.836 205 L CB 1.979 44.002 42.059 -0.059 0.000 1.238 205 L HN 0.407 nan 8.230 nan 0.000 0.408 206 P HA 0.252 nan 4.420 nan 0.000 0.271 206 P C -0.975 176.306 177.300 -0.031 0.000 1.216 206 P CA 0.046 63.139 63.100 -0.012 0.000 0.776 206 P CB 0.624 32.315 31.700 -0.016 0.000 0.881 207 L N 3.240 124.451 121.223 -0.021 0.000 2.334 207 L HA 0.422 4.815 4.340 0.089 0.000 0.272 207 L C 1.925 178.745 176.870 -0.084 0.000 1.020 207 L CA -0.863 53.943 54.840 -0.058 0.000 0.812 207 L CB 1.360 43.408 42.059 -0.018 0.000 1.264 207 L HN 0.359 nan 8.230 nan 0.000 0.439 208 R N 1.137 121.518 120.500 -0.198 0.000 2.117 208 R HA -0.124 4.270 4.340 0.089 0.000 0.243 208 R C -0.625 175.565 176.300 -0.184 0.000 1.143 208 R CA 1.737 57.679 56.100 -0.264 0.000 0.968 208 R CB -0.180 29.838 30.300 -0.469 0.000 0.863 208 R HN 0.613 nan 8.270 nan 0.000 0.444 209 Y N -4.615 115.714 120.300 0.048 0.000 2.952 209 Y HA 0.497 5.101 4.550 0.090 0.000 0.346 209 Y C 0.216 176.150 175.900 0.056 0.000 1.388 209 Y CA -1.072 57.045 58.100 0.029 0.000 1.097 209 Y CB -0.048 38.413 38.460 0.002 0.000 1.732 209 Y HN -0.100 nan 8.280 nan 0.000 0.431 210 G N 0.151 109.115 108.800 0.273 0.000 2.783 210 G HA2 0.286 4.299 3.960 0.089 0.000 0.182 210 G HA3 0.286 4.299 3.960 0.089 0.000 0.182 210 G C 0.522 175.447 174.900 0.042 0.000 1.516 210 G CA -0.011 45.107 45.100 0.031 0.000 1.079 210 G HN 0.726 nan 8.290 nan 0.000 0.573 211 M N 0.058 119.472 119.600 -0.311 0.000 2.195 211 M HA 0.016 4.549 4.480 0.089 0.000 0.260 211 M C 0.391 176.703 176.300 0.019 0.000 1.066 211 M CA 1.123 56.342 55.300 -0.135 0.000 1.089 211 M CB -0.334 32.127 32.600 -0.232 0.000 1.377 211 M HN 0.375 nan 8.290 nan 0.000 0.411 212 N N -2.032 116.605 118.700 -0.104 0.000 2.357 212 N HA 0.275 5.068 4.740 0.089 0.000 0.284 212 N C -2.451 172.799 175.510 -0.432 0.000 1.236 212 N CA -1.243 51.697 53.050 -0.182 0.000 0.774 212 N CB 1.295 39.731 38.487 -0.085 0.000 1.534 212 N HN -0.259 nan 8.380 nan 0.000 0.478 213 P HA -0.131 nan 4.420 nan 0.000 0.221 213 P C 0.874 178.010 177.300 -0.274 0.000 1.145 213 P CA 1.309 63.885 63.100 -0.873 0.000 0.795 213 P CB -0.099 31.178 31.700 -0.705 0.000 0.775 214 H N -2.005 116.958 119.070 -0.179 0.000 2.539 214 H HA 0.191 4.801 4.556 0.090 0.000 0.267 214 H C 0.082 175.383 175.328 -0.046 0.000 0.982 214 H CA 0.102 56.099 56.048 -0.085 0.000 1.146 214 H CB -0.327 29.393 29.762 -0.070 0.000 1.382 214 H HN 0.194 nan 8.280 nan 0.000 0.577 215 Q N 1.679 121.189 119.800 -0.483 0.000 2.465 215 Q HA 0.457 4.850 4.340 0.089 0.000 0.237 215 Q C -0.813 175.130 176.000 -0.095 0.000 1.051 215 Q CA -0.382 55.229 55.803 -0.320 0.000 0.874 215 Q CB 1.503 29.995 28.738 -0.410 0.000 1.207 215 Q HN 0.154 nan 8.270 nan 0.000 0.508 216 S N 2.159 117.839 115.700 -0.032 0.000 2.536 216 S HA 0.608 5.131 4.470 0.089 0.000 0.271 216 S C -2.204 172.409 174.600 0.022 0.000 1.134 216 S CA -0.963 57.255 58.200 0.031 0.000 0.897 216 S CB 1.494 64.730 63.200 0.059 0.000 1.094 216 S HN 0.527 nan 8.310 nan 0.000 0.473 217 P HA 0.882 nan 4.420 nan 0.000 0.284 217 P C -1.419 175.923 177.300 0.071 0.000 1.292 217 P CA -0.676 62.455 63.100 0.052 0.000 0.800 217 P CB 0.824 32.548 31.700 0.040 0.000 1.188 218 A N -0.047 122.831 122.820 0.096 0.000 2.539 218 A HA 0.666 5.039 4.320 0.089 0.000 0.296 218 A C -1.135 176.524 177.584 0.126 0.000 1.073 218 A CA -0.558 51.572 52.037 0.155 0.000 0.700 218 A CB 1.775 20.915 19.000 0.234 0.000 1.296 218 A HN 0.744 nan 8.150 nan 0.000 0.405 219 Q N 0.171 120.059 119.800 0.147 0.000 2.534 219 Q HA 0.769 5.162 4.340 0.089 0.000 0.290 219 Q C -1.848 174.177 176.000 0.042 0.000 0.991 219 Q CA -0.903 54.955 55.803 0.092 0.000 0.783 219 Q CB 1.729 30.542 28.738 0.126 0.000 1.470 219 Q HN 0.879 nan 8.270 nan 0.000 0.406 220 L N 2.213 123.428 121.223 -0.013 0.000 2.329 220 L HA 0.743 5.136 4.340 0.089 0.000 0.279 220 L C -1.655 175.232 176.870 0.028 0.000 1.014 220 L CA -0.350 54.432 54.840 -0.097 0.000 0.814 220 L CB 1.471 43.429 42.059 -0.168 0.000 1.257 220 L HN 0.752 nan 8.230 nan 0.000 0.424 221 Y N 1.062 121.316 120.300 -0.075 0.000 2.670 221 Y HA 0.805 5.410 4.550 0.091 0.000 0.334 221 Y C -1.105 174.767 175.900 -0.046 0.000 1.185 221 Y CA -0.958 57.111 58.100 -0.052 0.000 1.053 221 Y CB 1.315 39.761 38.460 -0.024 0.000 1.298 221 Y HN 0.675 nan 8.280 nan 0.000 0.459 222 T N -0.186 114.521 114.554 0.255 0.000 2.906 222 T HA 0.377 4.780 4.350 0.089 0.000 0.295 222 T C 0.508 175.372 174.700 0.274 0.000 1.061 222 T CA -0.026 62.178 62.100 0.174 0.000 1.000 222 T CB 1.318 70.213 68.868 0.046 0.000 1.103 222 T HN 1.058 nan 8.240 nan 0.000 0.486 223 T N 0.839 115.525 114.554 0.221 0.000 3.113 223 T HA 0.266 4.669 4.350 0.089 0.000 0.256 223 T C 0.865 175.631 174.700 0.110 0.000 1.131 223 T CA 0.058 62.259 62.100 0.169 0.000 1.074 223 T CB -0.111 68.849 68.868 0.153 0.000 0.944 223 T HN 0.484 nan 8.240 nan 0.000 0.516 224 R N 1.482 122.045 120.500 0.105 0.000 2.583 224 R HA 0.286 4.679 4.340 0.089 0.000 0.268 224 R C -1.705 174.634 176.300 0.065 0.000 1.101 224 R CA -2.000 54.150 56.100 0.083 0.000 1.180 224 R CB -0.126 30.235 30.300 0.102 0.000 1.128 224 R HN 0.001 nan 8.270 nan 0.000 0.568 225 P HA -0.127 nan 4.420 nan 0.000 0.219 225 P C -0.404 176.911 177.300 0.026 0.000 1.146 225 P CA 1.508 64.629 63.100 0.034 0.000 0.808 225 P CB 0.329 32.044 31.700 0.024 0.000 0.779 226 K N -0.761 119.652 120.400 0.021 0.000 2.525 226 K HA 0.311 4.684 4.320 0.089 0.000 0.254 226 K C -0.974 175.606 176.600 -0.033 0.000 0.934 226 K CA -0.745 55.539 56.287 -0.005 0.000 0.802 226 K CB 1.255 33.749 32.500 -0.010 0.000 1.295 226 K HN -0.172 nan 8.250 nan 0.000 0.433 227 L N 5.608 126.790 121.223 -0.068 0.000 2.453 227 L HA 0.140 4.533 4.340 0.089 0.000 0.272 227 L C -1.251 175.495 176.870 -0.207 0.000 1.182 227 L CA -1.152 53.597 54.840 -0.151 0.000 0.858 227 L CB 0.671 42.646 42.059 -0.140 0.000 1.120 227 L HN 0.619 nan 8.230 nan 0.000 0.474 228 P HA -0.022 nan 4.420 nan 0.000 0.241 228 P C -0.127 176.956 177.300 -0.362 0.000 1.191 228 P CA 0.375 63.255 63.100 -0.368 0.000 0.771 228 P CB 0.353 31.645 31.700 -0.680 0.000 0.929 229 L N 1.318 122.330 121.223 -0.352 0.000 2.287 229 L HA 0.466 4.859 4.340 0.089 0.000 0.287 229 L C -0.202 176.545 176.870 -0.206 0.000 1.022 229 L CA -0.283 54.371 54.840 -0.310 0.000 0.814 229 L CB 1.457 43.319 42.059 -0.329 0.000 1.217 229 L HN -0.162 nan 8.230 nan 0.000 0.420 230 T N 1.737 116.194 114.554 -0.162 0.000 2.912 230 T HA 0.677 5.080 4.350 0.089 0.000 0.288 230 T C -0.433 174.214 174.700 -0.089 0.000 1.030 230 T CA -0.833 61.201 62.100 -0.109 0.000 1.020 230 T CB 1.625 70.444 68.868 -0.082 0.000 1.056 230 T HN 0.284 nan 8.240 nan 0.000 0.480 231 V N 3.328 123.195 119.914 -0.079 0.000 2.385 231 V HA 0.201 4.374 4.120 0.089 0.000 0.269 231 V C 0.986 177.037 176.094 -0.072 0.000 1.043 231 V CA -0.399 61.856 62.300 -0.075 0.000 0.906 231 V CB 1.030 32.809 31.823 -0.074 0.000 0.995 231 V HN 0.924 nan 8.190 nan 0.000 0.467 232 V N 4.099 123.961 119.914 -0.088 0.000 3.307 232 V HA 0.201 4.374 4.120 0.089 0.000 0.253 232 V C 0.568 176.589 176.094 -0.120 0.000 1.149 232 V CA 0.662 62.900 62.300 -0.103 0.000 1.112 232 V CB -0.313 31.428 31.823 -0.137 0.000 0.777 232 V HN 0.963 nan 8.190 nan 0.000 0.464 233 N N -1.446 117.179 118.700 -0.126 0.000 2.710 233 N HA 0.502 5.295 4.740 0.089 0.000 0.257 233 N C -0.169 175.281 175.510 -0.100 0.000 1.140 233 N CA 0.582 53.570 53.050 -0.105 0.000 0.953 233 N CB 1.700 40.121 38.487 -0.111 0.000 1.664 233 N HN 0.341 nan 8.380 nan 0.000 0.497 234 G N 1.089 109.847 108.800 -0.070 0.000 2.598 234 G HA2 0.019 4.033 3.960 0.089 0.000 0.244 234 G HA3 0.019 4.033 3.960 0.089 0.000 0.244 234 G C -0.769 174.090 174.900 -0.068 0.000 1.302 234 G CA -0.017 45.044 45.100 -0.065 0.000 0.903 234 G HN 1.447 nan 8.290 nan 0.000 0.575 235 S N 1.251 116.909 115.700 -0.070 0.000 2.706 235 S HA 0.661 5.184 4.470 0.089 0.000 0.270 235 S C -2.639 171.910 174.600 -0.085 0.000 1.163 235 S CA 0.137 58.293 58.200 -0.073 0.000 1.042 235 S CB 2.152 65.313 63.200 -0.066 0.000 1.079 235 S HN 0.799 nan 8.310 nan 0.000 0.474 236 P HA 0.450 nan 4.420 nan 0.000 0.274 236 P C 0.309 177.518 177.300 -0.151 0.000 1.237 236 P CA -0.092 62.951 63.100 -0.096 0.000 0.793 236 P CB 0.804 32.431 31.700 -0.122 0.000 0.977 237 G N -0.256 108.441 108.800 -0.171 0.000 2.820 237 G HA2 0.305 4.318 3.960 0.089 0.000 0.291 237 G HA3 0.305 4.318 3.960 0.089 0.000 0.291 237 G C 0.128 174.986 174.900 -0.071 0.000 1.323 237 G CA -0.729 44.246 45.100 -0.208 0.000 1.055 237 G HN 0.364 nan 8.290 nan 0.000 0.520 238 F N -0.155 119.722 119.950 -0.122 0.000 2.043 238 F HA -0.125 4.455 4.527 0.087 0.000 0.297 238 F C 2.611 178.371 175.800 -0.067 0.000 1.121 238 F CA 1.832 59.793 58.000 -0.065 0.000 1.199 238 F CB -0.127 38.873 39.000 -0.000 0.000 0.968 238 F HN 0.250 nan 8.300 nan 0.000 0.478 239 I N 0.216 120.943 120.570 0.262 0.000 2.208 239 I HA -0.377 3.846 4.170 0.089 0.000 0.245 239 I C 2.025 178.115 176.117 -0.045 0.000 1.097 239 I CA 1.869 63.259 61.300 0.150 0.000 1.363 239 I CB -0.842 37.263 38.000 0.174 0.000 1.051 239 I HN 0.242 nan 8.210 nan 0.000 0.413 240 N N 0.739 119.379 118.700 -0.100 0.000 2.096 240 N HA -0.241 4.553 4.740 0.089 0.000 0.195 240 N C 1.845 176.948 175.510 -0.678 0.000 1.017 240 N CA 1.334 54.183 53.050 -0.334 0.000 0.870 240 N CB -0.198 38.183 38.487 -0.176 0.000 1.024 240 N HN 0.317 nan 8.380 nan 0.000 0.434 241 L N -0.093 120.862 121.223 -0.447 0.000 2.209 241 L HA -0.041 4.352 4.340 0.089 0.000 0.207 241 L C 2.317 178.959 176.870 -0.379 0.000 1.094 241 L CA 0.368 54.930 54.840 -0.463 0.000 0.790 241 L CB -0.174 41.640 42.059 -0.408 0.000 0.932 241 L HN 0.350 nan 8.230 nan 0.000 0.447 242 C N -0.136 118.997 119.300 -0.278 0.000 2.413 242 C HA -0.170 4.343 4.460 0.089 0.000 0.277 242 C C 2.405 177.344 174.990 -0.086 0.000 1.265 242 C CA 0.564 59.507 59.018 -0.124 0.000 1.752 242 C CB -0.712 27.045 27.740 0.029 0.000 1.998 242 C HN 0.540 nan 8.230 nan 0.000 0.489 243 D N 0.796 121.108 120.400 -0.146 0.000 2.085 243 D HA -0.039 4.654 4.640 0.089 0.000 0.199 243 D C 2.391 178.430 176.300 -0.435 0.000 0.981 243 D CA 1.705 55.646 54.000 -0.098 0.000 0.834 243 D CB -0.645 40.154 40.800 -0.002 0.000 0.992 243 D HN 0.436 nan 8.370 nan 0.000 0.457 244 A N 0.848 123.266 122.820 -0.670 0.000 1.917 244 A HA -0.160 4.213 4.320 0.089 0.000 0.219 244 A C 2.421 179.829 177.584 -0.293 0.000 1.182 244 A CA 1.202 52.917 52.037 -0.536 0.000 0.633 244 A CB -0.836 17.741 19.000 -0.706 0.000 0.819 244 A HN 0.226 nan 8.150 nan 0.000 0.448 245 L N -0.684 120.371 121.223 -0.280 0.000 2.179 245 L HA -0.092 4.301 4.340 0.089 0.000 0.208 245 L C 2.247 179.029 176.870 -0.147 0.000 1.096 245 L CA 0.717 55.470 54.840 -0.146 0.000 0.779 245 L CB -0.466 41.511 42.059 -0.138 0.000 0.922 245 L HN 0.388 nan 8.230 nan 0.000 0.443 246 N N 0.347 118.901 118.700 -0.242 0.000 2.171 246 N HA -0.082 4.711 4.740 0.089 0.000 0.184 246 N C 1.919 176.975 175.510 -0.756 0.000 1.021 246 N CA 1.373 54.240 53.050 -0.306 0.000 0.854 246 N CB -0.012 38.537 38.487 0.104 0.000 0.994 246 N HN 0.260 nan 8.380 nan 0.000 0.426 247 A N 1.366 123.493 122.820 -1.154 0.000 1.933 247 A HA -0.152 4.221 4.320 0.089 0.000 0.218 247 A C 2.028 179.363 177.584 -0.414 0.000 1.175 247 A CA 0.860 52.228 52.037 -1.115 0.000 0.628 247 A CB -1.017 17.451 19.000 -0.887 0.000 0.814 247 A HN 0.588 nan 8.150 nan 0.000 0.444 248 W N 0.689 121.743 121.300 -0.411 0.000 2.355 248 W HA -0.205 4.511 4.660 0.094 0.000 0.309 248 W C 2.006 178.365 176.519 -0.267 0.000 1.206 248 W CA 1.903 59.097 57.345 -0.251 0.000 1.284 248 W CB -0.359 28.984 29.460 -0.194 0.000 1.145 248 W HN 0.499 nan 8.180 nan 0.000 0.502 249 Q N 0.722 120.223 119.800 -0.499 0.000 2.050 249 Q HA -0.246 4.147 4.340 0.089 0.000 0.202 249 Q C 2.519 178.098 176.000 -0.701 0.000 0.980 249 Q CA 1.977 57.406 55.803 -0.624 0.000 0.840 249 Q CB -0.655 27.686 28.738 -0.661 0.000 0.898 249 Q HN 0.367 nan 8.270 nan 0.000 0.424 250 L N 0.628 121.361 121.223 -0.816 0.000 1.963 250 L HA -0.241 4.152 4.340 0.089 0.000 0.220 250 L C 2.437 179.157 176.870 -0.250 0.000 1.076 250 L CA 1.897 56.521 54.840 -0.360 0.000 0.772 250 L CB -0.462 41.546 42.059 -0.084 0.000 0.892 250 L HN 0.278 nan 8.230 nan 0.000 0.435 251 V N -2.513 117.209 119.914 -0.319 0.000 2.515 251 V HA -0.263 3.911 4.120 0.089 0.000 0.250 251 V C 2.486 178.321 176.094 -0.431 0.000 1.058 251 V CA 2.066 64.188 62.300 -0.297 0.000 1.064 251 V CB -0.864 30.816 31.823 -0.239 0.000 0.675 251 V HN 0.527 nan 8.190 nan 0.000 0.461 252 K N 0.372 120.342 120.400 -0.717 0.000 2.026 252 K HA -0.209 4.164 4.320 0.089 0.000 0.208 252 K C 2.244 178.659 176.600 -0.308 0.000 1.048 252 K CA 2.114 58.020 56.287 -0.635 0.000 0.929 252 K CB -0.213 31.795 32.500 -0.819 0.000 0.713 252 K HN 0.681 nan 8.250 nan 0.000 0.439 253 E N 0.569 120.625 120.200 -0.240 0.000 2.106 253 E HA -0.148 4.255 4.350 0.089 0.000 0.192 253 E C 2.150 178.707 176.600 -0.071 0.000 0.984 253 E CA 0.820 57.158 56.400 -0.103 0.000 0.806 253 E CB -0.007 29.686 29.700 -0.011 0.000 0.750 253 E HN 0.276 nan 8.360 nan 0.000 0.458 254 L N 0.935 122.114 121.223 -0.075 0.000 1.989 254 L HA -0.252 4.142 4.340 0.089 0.000 0.211 254 L C 2.566 179.406 176.870 -0.051 0.000 1.071 254 L CA 1.326 56.140 54.840 -0.043 0.000 0.749 254 L CB -0.293 41.745 42.059 -0.036 0.000 0.890 254 L HN 0.029 nan 8.230 nan 0.000 0.431 255 K N -0.002 120.346 120.400 -0.087 0.000 2.057 255 K HA -0.202 4.171 4.320 0.089 0.000 0.207 255 K C 2.081 178.647 176.600 -0.057 0.000 1.049 255 K CA 1.513 57.757 56.287 -0.073 0.000 0.931 255 K CB -0.107 32.331 32.500 -0.104 0.000 0.714 255 K HN 0.282 nan 8.250 nan 0.000 0.440 256 Q N -0.614 119.144 119.800 -0.070 0.000 2.050 256 Q HA -0.104 4.289 4.340 0.089 0.000 0.202 256 Q C 2.137 178.117 176.000 -0.034 0.000 0.980 256 Q CA 1.642 57.415 55.803 -0.049 0.000 0.840 256 Q CB -0.260 28.445 28.738 -0.055 0.000 0.898 256 Q HN 0.453 nan 8.270 nan 0.000 0.424 257 A N 0.344 123.146 122.820 -0.031 0.000 1.902 257 A HA -0.121 4.252 4.320 0.089 0.000 0.217 257 A C 1.873 179.453 177.584 -0.005 0.000 1.181 257 A CA 1.275 53.302 52.037 -0.017 0.000 0.623 257 A CB -0.269 18.726 19.000 -0.007 0.000 0.818 257 A HN 0.299 nan 8.150 nan 0.000 0.443 258 L N -2.689 118.530 121.223 -0.007 0.000 2.609 258 L HA 0.313 4.706 4.340 0.089 0.000 0.230 258 L C 1.585 178.453 176.870 -0.005 0.000 1.064 258 L CA 0.500 55.339 54.840 -0.000 0.000 0.873 258 L CB 0.128 42.189 42.059 0.004 0.000 1.139 258 L HN 0.532 nan 8.230 nan 0.000 0.490 259 G N 1.670 110.463 108.800 -0.012 0.000 2.160 259 G HA2 -0.278 3.735 3.960 0.089 0.000 0.251 259 G HA3 -0.278 3.735 3.960 0.089 0.000 0.251 259 G C -0.038 174.858 174.900 -0.006 0.000 1.008 259 G CA 0.199 45.293 45.100 -0.010 0.000 0.724 259 G HN 0.280 nan 8.290 nan 0.000 0.514 260 I N 0.443 121.010 120.570 -0.005 0.000 2.465 260 I HA 0.366 4.589 4.170 0.089 0.000 0.291 260 I C -2.188 173.929 176.117 0.000 0.000 1.014 260 I CA -2.826 58.476 61.300 0.003 0.000 1.093 260 I CB 2.295 40.301 38.000 0.010 0.000 1.267 260 I HN -0.208 nan 8.210 nan 0.000 0.431 261 P HA 0.039 nan 4.420 nan 0.000 0.263 261 P C -0.959 176.351 177.300 0.016 0.000 1.175 261 P CA 0.191 63.296 63.100 0.008 0.000 0.761 261 P CB 0.525 32.238 31.700 0.021 0.000 0.794 262 A N 2.416 125.238 122.820 0.003 0.000 2.413 262 A HA 0.882 5.255 4.320 0.089 0.000 0.307 262 A C -1.001 176.608 177.584 0.041 0.000 1.087 262 A CA -0.372 51.674 52.037 0.015 0.000 0.750 262 A CB 1.839 20.824 19.000 -0.026 0.000 1.296 262 A HN 0.529 nan 8.150 nan 0.000 0.423 263 A N -0.327 122.551 122.820 0.095 0.000 2.566 263 A HA 1.014 5.387 4.320 0.089 0.000 0.292 263 A C -0.492 177.212 177.584 0.200 0.000 1.112 263 A CA -0.081 52.057 52.037 0.169 0.000 0.707 263 A CB 1.420 20.595 19.000 0.292 0.000 1.302 263 A HN 2.621 nan 8.150 nan 0.000 0.409 264 A N -0.298 122.687 122.820 0.274 0.000 2.594 264 A HA 0.814 5.187 4.320 0.089 0.000 0.295 264 A C -0.654 177.202 177.584 0.452 0.000 1.071 264 A CA 0.121 52.361 52.037 0.337 0.000 0.685 264 A CB 1.419 20.638 19.000 0.365 0.000 1.285 264 A HN 1.918 nan 8.150 nan 0.000 0.405 265 S N 0.916 116.887 115.700 0.451 0.000 2.640 265 S HA 0.727 5.250 4.470 0.089 0.000 0.320 265 S C -1.489 173.375 174.600 0.440 0.000 1.097 265 S CA -0.271 58.204 58.200 0.458 0.000 1.092 265 S CB -0.160 63.245 63.200 0.341 0.000 0.988 265 S HN 0.483 nan 8.310 nan 0.000 0.470 266 F N 3.317 123.409 119.950 0.237 0.000 2.458 266 F HA 0.749 5.330 4.527 0.090 0.000 0.330 266 F C 0.210 176.131 175.800 0.202 0.000 1.082 266 F CA -0.657 57.469 58.000 0.210 0.000 0.995 266 F CB 1.950 41.074 39.000 0.206 0.000 1.170 266 F HN 0.531 nan 8.300 nan 0.000 0.478 267 K N 1.416 121.937 120.400 0.202 0.000 2.550 267 K HA 0.307 4.680 4.320 0.089 0.000 0.252 267 K C -0.768 175.939 176.600 0.179 0.000 0.943 267 K CA -0.429 55.961 56.287 0.173 0.000 0.806 267 K CB 0.517 33.124 32.500 0.178 0.000 1.289 267 K HN 0.603 nan 8.250 nan 0.000 0.435 268 H N 2.974 122.159 119.070 0.192 0.000 2.655 268 H HA -0.147 4.462 4.556 0.089 0.000 0.313 268 H C -0.240 175.188 175.328 0.167 0.000 1.141 268 H CA 1.266 57.412 56.048 0.164 0.000 1.138 268 H CB -1.375 28.464 29.762 0.128 0.000 1.446 268 H HN 0.649 nan 8.280 nan 0.000 0.415 269 V N -1.574 118.524 119.914 0.307 0.000 4.868 269 V HA -0.305 3.868 4.120 0.089 0.000 0.274 269 V C 0.650 176.934 176.094 0.315 0.000 0.450 269 V CA 1.594 64.135 62.300 0.403 0.000 0.773 269 V CB -1.840 30.170 31.823 0.312 0.000 0.704 269 V HN 0.591 nan 8.190 nan 0.000 1.326 270 S N 0.006 115.688 115.700 -0.030 0.000 2.595 270 S HA 0.719 5.242 4.470 0.089 0.000 0.281 270 S C -2.794 171.168 174.600 -1.062 0.000 1.117 270 S CA -1.049 56.929 58.200 -0.370 0.000 0.873 270 S CB 3.098 66.246 63.200 -0.086 0.000 1.108 270 S HN 0.235 nan 8.310 nan 0.000 0.477 271 P HA 0.253 nan 4.420 nan 0.000 0.276 271 P C -0.054 177.089 177.300 -0.261 0.000 1.235 271 P CA -0.162 62.447 63.100 -0.818 0.000 0.772 271 P CB 0.781 32.300 31.700 -0.302 0.000 0.871 272 A N 3.447 126.213 122.820 -0.091 0.000 1.970 272 A HA 0.357 4.731 4.320 0.089 0.000 0.216 272 A C 1.118 178.731 177.584 0.048 0.000 1.170 272 A CA 1.585 53.640 52.037 0.029 0.000 0.645 272 A CB -0.709 18.351 19.000 0.100 0.000 0.816 272 A HN 0.662 nan 8.150 nan 0.000 0.447 273 G N -3.162 105.675 108.800 0.063 0.000 2.608 273 G HA2 0.682 4.695 3.960 0.089 0.000 0.291 273 G HA3 0.682 4.695 3.960 0.089 0.000 0.291 273 G C -1.359 173.607 174.900 0.110 0.000 1.425 273 G CA 0.081 45.222 45.100 0.069 0.000 0.787 273 G HN 1.325 nan 8.290 nan 0.000 0.484 274 A N -1.219 121.655 122.820 0.090 0.000 2.560 274 A HA 0.987 5.361 4.320 0.089 0.000 0.300 274 A C -0.573 177.054 177.584 0.072 0.000 1.062 274 A CA 0.422 52.528 52.037 0.116 0.000 0.767 274 A CB 1.007 20.086 19.000 0.132 0.000 1.288 274 A HN 2.556 nan 8.150 nan 0.000 0.396 275 A N 0.860 123.728 122.820 0.080 0.000 2.594 275 A HA 0.871 5.244 4.320 0.089 0.000 0.295 275 A C -0.340 177.280 177.584 0.060 0.000 1.071 275 A CA -0.013 52.058 52.037 0.058 0.000 0.685 275 A CB 0.915 19.952 19.000 0.063 0.000 1.285 275 A HN 2.308 nan 8.150 nan 0.000 0.405 276 V N -0.695 119.246 119.914 0.044 0.000 2.837 276 V HA 0.824 4.997 4.120 0.089 0.000 0.310 276 V C 0.774 176.900 176.094 0.054 0.000 1.059 276 V CA 0.019 62.343 62.300 0.040 0.000 1.004 276 V CB 1.447 33.284 31.823 0.023 0.000 1.045 276 V HN 1.622 nan 8.190 nan 0.000 0.465 277 G N 3.755 112.587 108.800 0.054 0.000 3.316 277 G HA2 0.329 4.342 3.960 0.089 0.000 0.255 277 G HA3 0.329 4.342 3.960 0.089 0.000 0.255 277 G C 0.168 175.106 174.900 0.063 0.000 0.880 277 G CA -0.391 44.749 45.100 0.067 0.000 1.956 277 G HN 0.537 nan 8.290 nan 0.000 0.634 278 I N 1.519 122.130 120.570 0.068 0.000 2.618 278 I HA 0.117 4.340 4.170 0.089 0.000 0.284 278 I C -1.875 174.299 176.117 0.096 0.000 1.146 278 I CA -2.795 58.549 61.300 0.073 0.000 1.425 278 I CB 0.646 38.689 38.000 0.073 0.000 1.383 278 I HN 0.112 nan 8.210 nan 0.000 0.562 279 P HA 0.079 nan 4.420 nan 0.000 0.266 279 P C -0.426 176.972 177.300 0.163 0.000 1.195 279 P CA -0.357 62.810 63.100 0.112 0.000 0.768 279 P CB 0.440 32.192 31.700 0.088 0.000 0.838 280 L N 2.510 123.865 121.223 0.220 0.000 2.331 280 L HA 0.183 4.576 4.340 0.089 0.000 0.278 280 L C 1.034 178.089 176.870 0.309 0.000 1.106 280 L CA 0.463 55.454 54.840 0.251 0.000 0.824 280 L CB 0.050 42.252 42.059 0.238 0.000 1.142 280 L HN 0.423 nan 8.230 nan 0.000 0.443 281 S N 1.570 117.389 115.700 0.198 0.000 2.587 281 S HA 0.039 4.562 4.470 0.089 0.000 0.260 281 S C 1.048 175.618 174.600 -0.051 0.000 1.353 281 S CA -0.250 58.038 58.200 0.145 0.000 0.995 281 S CB 0.413 63.701 63.200 0.147 0.000 0.912 281 S HN 0.721 nan 8.310 nan 0.000 0.568 282 E N 0.586 120.746 120.200 -0.067 0.000 2.110 282 E HA -0.171 4.232 4.350 0.089 0.000 0.193 282 E C 1.854 178.408 176.600 -0.076 0.000 0.988 282 E CA 1.352 57.639 56.400 -0.188 0.000 0.804 282 E CB -0.051 29.679 29.700 0.050 0.000 0.745 282 E HN 0.731 nan 8.360 nan 0.000 0.458 283 E N 0.428 120.619 120.200 -0.014 0.000 2.072 283 E HA -0.213 4.191 4.350 0.089 0.000 0.191 283 E C 1.990 178.547 176.600 -0.073 0.000 0.985 283 E CA 0.904 57.289 56.400 -0.025 0.000 0.801 283 E CB -0.184 29.552 29.700 0.059 0.000 0.750 283 E HN 0.180 nan 8.360 nan 0.000 0.452 284 E N 1.329 121.533 120.200 0.006 0.000 2.106 284 E HA -0.076 4.327 4.350 0.089 0.000 0.192 284 E C 1.942 178.535 176.600 -0.012 0.000 0.984 284 E CA 1.279 57.698 56.400 0.032 0.000 0.806 284 E CB -0.290 29.532 29.700 0.203 0.000 0.750 284 E HN 0.224 nan 8.360 nan 0.000 0.458 285 A N 0.361 123.142 122.820 -0.066 0.000 1.940 285 A HA -0.262 4.112 4.320 0.089 0.000 0.219 285 A C 2.109 179.695 177.584 0.003 0.000 1.176 285 A CA 1.779 53.783 52.037 -0.056 0.000 0.631 285 A CB -0.506 18.310 19.000 -0.306 0.000 0.814 285 A HN 0.346 nan 8.150 nan 0.000 0.446 286 Q N -0.635 119.148 119.800 -0.028 0.000 2.016 286 Q HA -0.095 4.298 4.340 0.089 0.000 0.200 286 Q C 2.185 178.131 176.000 -0.091 0.000 0.978 286 Q CA 1.533 57.299 55.803 -0.062 0.000 0.833 286 Q CB -0.401 28.246 28.738 -0.151 0.000 0.895 286 Q HN 0.463 nan 8.270 nan 0.000 0.427 287 V N 0.544 120.355 119.914 -0.172 0.000 2.317 287 V HA -0.336 3.838 4.120 0.089 0.000 0.251 287 V C 2.109 178.155 176.094 -0.080 0.000 1.065 287 V CA 1.616 63.781 62.300 -0.225 0.000 1.049 287 V CB -0.478 31.032 31.823 -0.521 0.000 0.651 287 V HN 0.509 nan 8.190 nan 0.000 0.450 288 C N -0.299 118.988 119.300 -0.022 0.000 2.576 288 C HA 0.228 4.742 4.460 0.089 0.000 0.267 288 C C 1.397 176.397 174.990 0.017 0.000 1.364 288 C CA -0.320 58.715 59.018 0.030 0.000 1.723 288 C CB -1.011 26.766 27.740 0.063 0.000 1.778 288 C HN 0.684 nan 8.230 nan 0.000 0.572 289 M N -0.693 118.911 119.600 0.006 0.000 2.620 289 M HA -0.129 4.404 4.480 0.089 0.000 0.208 289 M C 0.329 176.652 176.300 0.037 0.000 0.468 289 M CA 0.763 56.069 55.300 0.009 0.000 0.603 289 M CB -2.343 30.251 32.600 -0.011 0.000 2.246 289 M HN 0.430 nan 8.290 nan 0.000 0.753 290 V N -3.900 116.052 119.914 0.063 0.000 2.925 290 V HA 0.265 4.438 4.120 0.089 0.000 0.361 290 V C 1.560 177.719 176.094 0.109 0.000 1.361 290 V CA 0.168 62.517 62.300 0.082 0.000 1.184 290 V CB 0.072 31.947 31.823 0.087 0.000 1.245 290 V HN 0.580 nan 8.190 nan 0.000 0.575 291 H N 2.909 121.990 119.070 0.018 0.000 2.357 291 H HA -0.131 4.478 4.556 0.089 0.000 0.301 291 H C 1.916 177.287 175.328 0.071 0.000 1.082 291 H CA 2.448 58.507 56.048 0.019 0.000 1.342 291 H CB 0.152 29.898 29.762 -0.027 0.000 1.389 291 H HN 0.755 nan 8.280 nan 0.000 0.511 292 D N 0.949 121.407 120.400 0.097 0.000 2.182 292 D HA -0.175 4.518 4.640 0.089 0.000 0.201 292 D C 1.898 178.200 176.300 0.005 0.000 0.986 292 D CA 0.911 54.938 54.000 0.045 0.000 0.847 292 D CB -0.632 40.205 40.800 0.062 0.000 0.942 292 D HN 0.436 nan 8.370 nan 0.000 0.467 293 L N -0.482 120.757 121.223 0.027 0.000 2.607 293 L HA 0.126 4.520 4.340 0.089 0.000 0.228 293 L C 2.436 179.328 176.870 0.038 0.000 1.123 293 L CA -0.243 54.614 54.840 0.028 0.000 0.890 293 L CB -0.584 41.502 42.059 0.045 0.000 1.103 293 L HN 0.094 nan 8.230 nan 0.000 0.468 294 H N 1.569 120.581 119.070 -0.097 0.000 2.353 294 H HA -0.169 4.441 4.556 0.088 0.000 0.298 294 H C 1.513 176.806 175.328 -0.059 0.000 1.103 294 H CA 1.356 57.349 56.048 -0.091 0.000 1.293 294 H CB 0.557 30.205 29.762 -0.190 0.000 1.372 294 H HN 0.137 nan 8.280 nan 0.000 0.501 295 K N 0.165 120.460 120.400 -0.175 0.000 2.366 295 K HA -0.045 4.328 4.320 0.089 0.000 0.198 295 K C 2.086 178.613 176.600 -0.121 0.000 1.044 295 K CA 1.164 57.332 56.287 -0.198 0.000 0.973 295 K CB -0.240 32.191 32.500 -0.116 0.000 0.767 295 K HN 0.529 nan 8.250 nan 0.000 0.475 296 T N -1.872 112.639 114.554 -0.073 0.000 3.065 296 T HA 0.157 4.560 4.350 0.089 0.000 0.252 296 T C 0.932 175.617 174.700 -0.025 0.000 1.099 296 T CA -0.206 61.872 62.100 -0.037 0.000 1.063 296 T CB -0.074 68.787 68.868 -0.012 0.000 0.948 296 T HN -0.066 nan 8.240 nan 0.000 0.506 297 L N 3.633 124.836 121.223 -0.032 0.000 2.490 297 L HA 0.285 4.678 4.340 0.089 0.000 0.274 297 L C 1.049 177.921 176.870 0.003 0.000 1.201 297 L CA -0.370 54.476 54.840 0.009 0.000 0.869 297 L CB 0.415 42.502 42.059 0.046 0.000 1.123 297 L HN 0.390 nan 8.230 nan 0.000 0.484 298 T N -0.295 114.276 114.554 0.029 0.000 2.936 298 T HA 0.349 4.752 4.350 0.089 0.000 0.282 298 T C -1.954 172.773 174.700 0.044 0.000 1.003 298 T CA -1.985 60.131 62.100 0.027 0.000 1.005 298 T CB 1.593 70.478 68.868 0.029 0.000 1.097 298 T HN 0.269 nan 8.240 nan 0.000 0.532 299 P HA -0.100 nan 4.420 nan 0.000 0.216 299 P C 1.597 178.935 177.300 0.063 0.000 1.154 299 P CA 0.569 63.698 63.100 0.048 0.000 0.865 299 P CB -0.024 31.697 31.700 0.034 0.000 0.789 300 L N -0.990 120.269 121.223 0.060 0.000 2.109 300 L HA 0.007 4.401 4.340 0.089 0.000 0.207 300 L C 2.204 179.146 176.870 0.120 0.000 1.086 300 L CA 1.777 56.663 54.840 0.077 0.000 0.760 300 L CB -1.356 40.735 42.059 0.055 0.000 0.910 300 L HN -0.140 nan 8.230 nan 0.000 0.437 301 A N -1.283 121.603 122.820 0.111 0.000 1.877 301 A HA -0.173 4.200 4.320 0.089 0.000 0.216 301 A C 2.361 180.039 177.584 0.157 0.000 1.186 301 A CA 1.900 54.023 52.037 0.145 0.000 0.620 301 A CB -0.968 18.095 19.000 0.105 0.000 0.822 301 A HN 0.504 nan 8.150 nan 0.000 0.443 302 S N 0.140 115.914 115.700 0.123 0.000 2.365 302 S HA -0.146 4.377 4.470 0.089 0.000 0.225 302 S C 2.308 176.981 174.600 0.121 0.000 1.039 302 S CA 1.433 59.706 58.200 0.122 0.000 1.033 302 S CB -0.576 62.689 63.200 0.109 0.000 0.887 302 S HN 0.827 nan 8.310 nan 0.000 0.447 303 A N 0.337 123.231 122.820 0.124 0.000 1.902 303 A HA -0.126 4.247 4.320 0.089 0.000 0.217 303 A C 2.013 179.694 177.584 0.163 0.000 1.181 303 A CA 1.634 53.746 52.037 0.125 0.000 0.623 303 A CB -0.850 18.218 19.000 0.112 0.000 0.818 303 A HN 0.571 nan 8.150 nan 0.000 0.443 304 Y N 0.462 120.813 120.300 0.084 0.000 2.220 304 Y HA 0.056 4.660 4.550 0.090 0.000 0.291 304 Y C 2.667 178.630 175.900 0.105 0.000 1.129 304 Y CA 0.761 58.917 58.100 0.094 0.000 1.161 304 Y CB -0.728 37.784 38.460 0.086 0.000 0.997 304 Y HN 0.305 nan 8.280 nan 0.000 0.522 305 A N 0.823 123.620 122.820 -0.038 0.000 1.892 305 A HA -0.258 4.115 4.320 0.089 0.000 0.218 305 A C 2.363 179.901 177.584 -0.077 0.000 1.188 305 A CA 2.185 54.173 52.037 -0.081 0.000 0.631 305 A CB -0.688 18.346 19.000 0.058 0.000 0.822 305 A HN 0.533 nan 8.150 nan 0.000 0.447 306 R N -0.182 120.327 120.500 0.015 0.000 2.081 306 R HA -0.115 4.278 4.340 0.089 0.000 0.235 306 R C 2.727 179.041 176.300 0.022 0.000 1.131 306 R CA 1.719 57.865 56.100 0.076 0.000 0.960 306 R CB -0.421 29.943 30.300 0.105 0.000 0.856 306 R HN 0.751 nan 8.270 nan 0.000 0.436 307 S N 0.649 116.325 115.700 -0.041 0.000 2.371 307 S HA -0.172 4.351 4.470 0.089 0.000 0.224 307 S C 2.071 176.625 174.600 -0.077 0.000 1.029 307 S CA 0.939 59.133 58.200 -0.009 0.000 0.978 307 S CB -0.178 63.083 63.200 0.101 0.000 0.833 307 S HN 0.256 nan 8.310 nan 0.000 0.466 308 R N 1.159 121.451 120.500 -0.347 0.000 2.189 308 R HA 0.054 4.447 4.340 0.089 0.000 0.223 308 R C 2.230 178.502 176.300 -0.046 0.000 1.092 308 R CA 1.128 57.078 56.100 -0.250 0.000 0.989 308 R CB -0.835 29.150 30.300 -0.526 0.000 0.876 308 R HN 0.562 nan 8.270 nan 0.000 0.457 309 G N -0.597 108.200 108.800 -0.004 0.000 2.650 309 G HA2 -0.111 3.903 3.960 0.089 0.000 0.214 309 G HA3 -0.111 3.903 3.960 0.089 0.000 0.214 309 G C 1.344 176.417 174.900 0.289 0.000 1.136 309 G CA 0.450 45.635 45.100 0.141 0.000 0.789 309 G HN 0.406 nan 8.290 nan 0.000 0.536 310 A N -0.146 122.802 122.820 0.212 0.000 1.877 310 A HA 0.040 4.413 4.320 0.089 0.000 0.216 310 A C 1.167 178.912 177.584 0.268 0.000 1.186 310 A CA 1.529 53.700 52.037 0.223 0.000 0.620 310 A CB 0.044 19.085 19.000 0.069 0.000 0.822 310 A HN 0.295 nan 8.150 nan 0.000 0.443 311 D N -1.971 118.544 120.400 0.191 0.000 2.319 311 D HA 0.201 4.894 4.640 0.089 0.000 0.237 311 D C 0.504 176.898 176.300 0.156 0.000 1.353 311 D CA -0.459 53.649 54.000 0.181 0.000 0.992 311 D CB 0.552 41.446 40.800 0.157 0.000 1.368 311 D HN 0.066 nan 8.370 nan 0.000 0.564 312 R N 2.244 122.834 120.500 0.151 0.000 2.127 312 R HA -0.042 4.352 4.340 0.089 0.000 0.238 312 R C 1.846 178.245 176.300 0.165 0.000 1.134 312 R CA 0.877 57.058 56.100 0.135 0.000 0.975 312 R CB 0.044 30.408 30.300 0.108 0.000 0.865 312 R HN 0.541 nan 8.270 nan 0.000 0.447 313 M N -0.012 119.681 119.600 0.154 0.000 2.156 313 M HA -0.068 4.465 4.480 0.089 0.000 0.264 313 M C 2.157 178.572 176.300 0.192 0.000 1.067 313 M CA 1.361 56.754 55.300 0.155 0.000 1.131 313 M CB -0.125 32.536 32.600 0.101 0.000 1.368 313 M HN 0.003 nan 8.290 nan 0.000 0.416 314 S N 0.276 116.079 115.700 0.171 0.000 2.399 314 S HA -0.075 4.448 4.470 0.089 0.000 0.231 314 S C 1.813 176.539 174.600 0.210 0.000 1.022 314 S CA 1.204 59.512 58.200 0.179 0.000 0.983 314 S CB -0.181 63.106 63.200 0.145 0.000 0.803 314 S HN 0.389 nan 8.310 nan 0.000 0.480 315 S N 0.776 116.601 115.700 0.208 0.000 2.607 315 S HA 0.191 4.715 4.470 0.089 0.000 0.224 315 S C 0.272 175.016 174.600 0.239 0.000 0.969 315 S CA -0.251 58.077 58.200 0.213 0.000 0.927 315 S CB -0.287 63.019 63.200 0.177 0.000 0.772 315 S HN 0.510 nan 8.310 nan 0.000 0.533 316 F N 2.812 122.833 119.950 0.119 0.000 2.519 316 F HA 0.407 4.988 4.527 0.089 0.000 0.375 316 F C 1.248 177.120 175.800 0.120 0.000 1.084 316 F CA 0.483 58.548 58.000 0.108 0.000 1.147 316 F CB -0.244 38.811 39.000 0.092 0.000 1.088 316 F HN 0.248 nan 8.300 nan 0.000 0.555 317 G N 3.803 112.510 108.800 -0.154 0.000 2.149 317 G HA2 -0.264 3.749 3.960 0.089 0.000 0.235 317 G HA3 -0.264 3.749 3.960 0.089 0.000 0.235 317 G C -0.354 174.601 174.900 0.090 0.000 1.018 317 G CA 0.004 45.080 45.100 -0.040 0.000 0.728 317 G HN 0.964 nan 8.290 nan 0.000 0.508 318 D N -0.602 119.873 120.400 0.125 0.000 2.360 318 D HA 0.496 5.189 4.640 0.089 0.000 0.242 318 D C -0.047 176.365 176.300 0.186 0.000 1.184 318 D CA -0.787 53.335 54.000 0.204 0.000 0.930 318 D CB 0.771 41.726 40.800 0.258 0.000 1.161 318 D HN 0.045 nan 8.370 nan 0.000 0.447 319 F N -0.049 119.997 119.950 0.160 0.000 2.420 319 F HA 0.436 5.015 4.527 0.087 0.000 0.342 319 F C -0.117 175.783 175.800 0.165 0.000 1.113 319 F CA -0.856 57.209 58.000 0.108 0.000 1.059 319 F CB 0.850 39.888 39.000 0.063 0.000 1.128 319 F HN 0.199 nan 8.300 nan 0.000 0.475 320 I N 4.238 124.818 120.570 0.016 0.000 2.525 320 I HA 0.664 4.887 4.170 0.089 0.000 0.301 320 I C -0.470 175.752 176.117 0.174 0.000 0.992 320 I CA -0.805 60.558 61.300 0.106 0.000 1.162 320 I CB 1.745 39.636 38.000 -0.182 0.000 1.332 320 I HN 0.642 nan 8.210 nan 0.000 0.458 321 A N 6.637 129.569 122.820 0.187 0.000 2.371 321 A HA 0.876 5.249 4.320 0.089 0.000 0.311 321 A C -1.087 176.580 177.584 0.139 0.000 1.068 321 A CA -0.492 51.659 52.037 0.190 0.000 0.744 321 A CB 1.119 20.209 19.000 0.150 0.000 1.239 321 A HN 0.637 nan 8.150 nan 0.000 0.435 322 L N 2.043 123.355 121.223 0.149 0.000 2.365 322 L HA 0.421 4.814 4.340 0.089 0.000 0.273 322 L C 1.400 178.325 176.870 0.091 0.000 1.000 322 L CA -0.464 54.427 54.840 0.085 0.000 0.819 322 L CB 2.287 44.364 42.059 0.032 0.000 1.284 322 L HN 0.907 nan 8.230 nan 0.000 0.418 323 S N -0.776 114.913 115.700 -0.019 0.000 2.489 323 S HA 0.078 4.601 4.470 0.089 0.000 0.228 323 S C 0.183 174.791 174.600 0.013 0.000 0.995 323 S CA 0.253 58.382 58.200 -0.118 0.000 0.934 323 S CB -0.134 62.969 63.200 -0.162 0.000 0.771 323 S HN 0.715 nan 8.310 nan 0.000 0.522 324 D N -0.155 120.261 120.400 0.028 0.000 2.531 324 D HA 0.524 5.217 4.640 0.089 0.000 0.244 324 D C -0.627 175.656 176.300 -0.028 0.000 1.090 324 D CA -0.758 53.251 54.000 0.015 0.000 0.989 324 D CB 1.152 41.955 40.800 0.005 0.000 1.433 324 D HN 0.095 nan 8.370 nan 0.000 0.492 325 I N 0.966 121.506 120.570 -0.050 0.000 2.845 325 I HA -0.076 4.147 4.170 0.089 0.000 0.296 325 I C 0.579 176.629 176.117 -0.111 0.000 1.216 325 I CA 0.129 61.358 61.300 -0.118 0.000 1.438 325 I CB 0.225 38.184 38.000 -0.069 0.000 1.342 325 I HN 0.296 nan 8.210 nan 0.000 0.577 326 C N 7.809 126.990 119.300 -0.198 0.000 2.627 326 C HA 0.137 4.650 4.460 0.089 0.000 0.404 326 C C 0.278 175.283 174.990 0.026 0.000 1.340 326 C CA -0.670 58.314 59.018 -0.057 0.000 1.758 326 C CB -1.351 26.417 27.740 0.046 0.000 2.501 326 C HN 0.832 nan 8.230 nan 0.000 0.588 327 D N 4.181 124.600 120.400 0.031 0.000 2.432 327 D HA 0.288 4.981 4.640 0.089 0.000 0.258 327 D C 1.009 177.336 176.300 0.045 0.000 1.146 327 D CA -0.768 53.253 54.000 0.036 0.000 1.015 327 D CB 0.495 41.311 40.800 0.027 0.000 1.107 327 D HN 0.261 nan 8.370 nan 0.000 0.529 328 V N -0.029 119.906 119.914 0.035 0.000 2.255 328 V HA -0.148 4.025 4.120 0.089 0.000 0.247 328 V C -0.865 175.247 176.094 0.030 0.000 1.051 328 V CA 1.796 64.114 62.300 0.029 0.000 1.018 328 V CB -1.844 29.990 31.823 0.019 0.000 0.641 328 V HN 0.545 nan 8.190 nan 0.000 0.445 329 P HA -0.161 nan 4.420 nan 0.000 0.216 329 P C 1.848 179.185 177.300 0.061 0.000 1.157 329 P CA 2.098 65.222 63.100 0.041 0.000 0.880 329 P CB -0.280 31.444 31.700 0.040 0.000 0.791 330 T N -0.943 113.651 114.554 0.068 0.000 2.821 330 T HA -0.084 4.319 4.350 0.089 0.000 0.267 330 T C 1.897 176.628 174.700 0.052 0.000 1.046 330 T CA 1.500 63.652 62.100 0.087 0.000 1.139 330 T CB -0.879 68.031 68.868 0.070 0.000 0.871 330 T HN 0.066 nan 8.240 nan 0.000 0.454 331 A N 1.730 124.572 122.820 0.036 0.000 1.930 331 A HA -0.067 4.306 4.320 0.089 0.000 0.217 331 A C 2.321 179.897 177.584 -0.013 0.000 1.175 331 A CA 1.064 53.105 52.037 0.007 0.000 0.627 331 A CB -0.251 18.761 19.000 0.020 0.000 0.815 331 A HN 0.205 nan 8.150 nan 0.000 0.443 332 K N -0.148 120.258 120.400 0.009 0.000 2.057 332 K HA -0.021 4.353 4.320 0.089 0.000 0.206 332 K C 1.859 178.471 176.600 0.021 0.000 1.050 332 K CA 1.174 57.464 56.287 0.005 0.000 0.935 332 K CB -0.516 31.992 32.500 0.014 0.000 0.715 332 K HN 0.597 nan 8.250 nan 0.000 0.439 333 I N 1.069 121.676 120.570 0.063 0.000 2.099 333 I HA -0.302 3.921 4.170 0.089 0.000 0.239 333 I C 2.331 178.516 176.117 0.113 0.000 1.066 333 I CA 1.351 62.720 61.300 0.114 0.000 1.324 333 I CB -0.359 37.768 38.000 0.211 0.000 1.037 333 I HN 0.034 nan 8.210 nan 0.000 0.401 334 I N -0.139 120.478 120.570 0.079 0.000 2.264 334 I HA -0.310 3.913 4.170 0.089 0.000 0.248 334 I C 2.757 178.801 176.117 -0.122 0.000 1.111 334 I CA 1.202 62.494 61.300 -0.015 0.000 1.382 334 I CB -0.419 37.486 38.000 -0.158 0.000 1.060 334 I HN 0.225 nan 8.210 nan 0.000 0.418 335 S N 1.324 116.950 115.700 -0.123 0.000 2.359 335 S HA -0.217 4.306 4.470 0.089 0.000 0.224 335 S C 2.157 176.682 174.600 -0.125 0.000 1.035 335 S CA 1.661 59.764 58.200 -0.161 0.000 1.018 335 S CB -0.213 62.923 63.200 -0.107 0.000 0.876 335 S HN 0.496 nan 8.310 nan 0.000 0.448 336 R N 0.295 120.757 120.500 -0.064 0.000 2.299 336 R HA 0.159 4.552 4.340 0.089 0.000 0.197 336 R C -0.272 176.004 176.300 -0.041 0.000 0.971 336 R CA 0.335 56.407 56.100 -0.046 0.000 1.030 336 R CB -0.152 30.136 30.300 -0.020 0.000 0.932 336 R HN 0.319 nan 8.270 nan 0.000 0.477 337 E N 1.717 121.892 120.200 -0.040 0.000 2.214 337 E HA 0.220 4.623 4.350 0.089 0.000 0.274 337 E C -0.573 175.969 176.600 -0.098 0.000 0.977 337 E CA -0.968 55.419 56.400 -0.022 0.000 0.827 337 E CB 2.523 32.264 29.700 0.068 0.000 1.130 337 E HN -0.117 nan 8.360 nan 0.000 0.394 338 V N 2.048 121.871 119.914 -0.152 0.000 2.415 338 V HA 0.181 4.354 4.120 0.089 0.000 0.267 338 V C 0.498 176.440 176.094 -0.254 0.000 1.042 338 V CA 0.113 62.207 62.300 -0.343 0.000 1.000 338 V CB 0.269 31.583 31.823 -0.849 0.000 1.015 338 V HN 0.555 nan 8.190 nan 0.000 0.478 339 S N 2.515 118.139 115.700 -0.126 0.000 2.588 339 S HA 0.512 5.035 4.470 0.089 0.000 0.275 339 S C 0.040 174.744 174.600 0.172 0.000 1.130 339 S CA -0.621 57.605 58.200 0.043 0.000 0.855 339 S CB 2.276 65.549 63.200 0.122 0.000 1.116 339 S HN 0.682 nan 8.310 nan 0.000 0.472 340 D N 1.151 121.598 120.400 0.078 0.000 2.388 340 D HA 0.387 5.080 4.640 0.089 0.000 0.208 340 D C 0.643 176.657 176.300 -0.477 0.000 1.035 340 D CA 1.079 55.062 54.000 -0.028 0.000 0.875 340 D CB 0.983 41.812 40.800 0.049 0.000 0.984 340 D HN 0.767 nan 8.370 nan 0.000 0.508 341 G N -0.782 107.438 108.800 -0.966 0.000 2.356 341 G HA2 0.432 4.445 3.960 0.089 0.000 0.294 341 G HA3 0.432 4.445 3.960 0.089 0.000 0.294 341 G C -2.097 171.772 174.900 -1.718 0.000 1.423 341 G CA -0.360 43.625 45.100 -1.858 0.000 0.806 341 G HN 0.031 nan 8.290 nan 0.000 0.527 342 V N -0.628 118.549 119.914 -1.228 0.000 2.851 342 V HA 0.798 4.971 4.120 0.089 0.000 0.307 342 V C -1.212 174.884 176.094 0.005 0.000 1.129 342 V CA -0.691 61.353 62.300 -0.427 0.000 0.932 342 V CB 1.729 33.516 31.823 -0.059 0.000 1.024 342 V HN 1.441 nan 8.190 nan 0.000 0.426 343 V N 6.465 126.517 119.914 0.230 0.000 2.604 343 V HA 1.036 5.209 4.120 0.089 0.000 0.305 343 V C -0.074 176.130 176.094 0.183 0.000 1.043 343 V CA 0.488 62.934 62.300 0.244 0.000 0.888 343 V CB 1.503 33.464 31.823 0.231 0.000 0.995 343 V HN 1.732 nan 8.190 nan 0.000 0.429 344 A N 6.814 129.644 122.820 0.017 0.000 2.609 344 A HA 0.863 5.236 4.320 0.089 0.000 0.291 344 A C -2.714 174.716 177.584 -0.258 0.000 1.096 344 A CA -0.938 51.030 52.037 -0.116 0.000 0.684 344 A CB 1.873 20.539 19.000 -0.556 0.000 1.282 344 A HN 0.551 nan 8.150 nan 0.000 0.412 345 P HA 0.215 nan 4.420 nan 0.000 0.242 345 P C 0.663 177.850 177.300 -0.187 0.000 1.197 345 P CA 1.520 64.540 63.100 -0.134 0.000 0.765 345 P CB 0.315 32.074 31.700 0.098 0.000 0.936 346 G N -1.197 107.381 108.800 -0.370 0.000 2.316 346 G HA2 0.410 4.423 3.960 0.089 0.000 0.296 346 G HA3 0.410 4.423 3.960 0.089 0.000 0.296 346 G C -2.401 172.111 174.900 -0.647 0.000 1.399 346 G CA -0.744 44.167 45.100 -0.315 0.000 0.833 346 G HN -0.083 nan 8.290 nan 0.000 0.565 347 Y N 0.453 120.749 120.300 -0.006 0.000 2.362 347 Y HA 0.412 5.015 4.550 0.088 0.000 0.326 347 Y C 0.424 176.321 175.900 -0.004 0.000 1.083 347 Y CA -0.973 57.124 58.100 -0.004 0.000 1.073 347 Y CB 1.832 40.285 38.460 -0.011 0.000 1.211 347 Y HN 0.606 nan 8.280 nan 0.000 0.433 348 E N 1.539 121.810 120.200 0.117 0.000 2.436 348 E HA -0.089 4.314 4.350 0.089 0.000 0.262 348 E C 0.445 177.096 176.600 0.085 0.000 1.063 348 E CA 0.061 56.507 56.400 0.077 0.000 0.944 348 E CB 0.950 30.681 29.700 0.050 0.000 0.950 348 E HN 0.707 nan 8.360 nan 0.000 0.444 349 E N 2.199 122.430 120.200 0.052 0.000 2.051 349 E HA -0.218 4.185 4.350 0.089 0.000 0.192 349 E C 1.388 178.002 176.600 0.024 0.000 0.991 349 E CA 1.813 58.234 56.400 0.035 0.000 0.799 349 E CB 0.106 29.818 29.700 0.020 0.000 0.748 349 E HN 0.527 nan 8.360 nan 0.000 0.449 350 E N 0.066 120.279 120.200 0.022 0.000 2.077 350 E HA -0.203 4.200 4.350 0.089 0.000 0.193 350 E C 2.124 178.733 176.600 0.016 0.000 0.989 350 E CA 0.963 57.370 56.400 0.013 0.000 0.800 350 E CB -0.283 29.424 29.700 0.012 0.000 0.746 350 E HN 0.341 nan 8.360 nan 0.000 0.452 351 A N 2.130 124.974 122.820 0.040 0.000 1.877 351 A HA -0.155 4.218 4.320 0.089 0.000 0.216 351 A C 2.240 179.846 177.584 0.037 0.000 1.186 351 A CA 0.938 53.010 52.037 0.059 0.000 0.620 351 A CB -0.721 18.348 19.000 0.114 0.000 0.822 351 A HN 0.220 nan 8.150 nan 0.000 0.443 352 L N -0.490 120.753 121.223 0.033 0.000 2.042 352 L HA -0.238 4.155 4.340 0.089 0.000 0.210 352 L C 2.540 179.369 176.870 -0.068 0.000 1.076 352 L CA 2.092 56.893 54.840 -0.065 0.000 0.749 352 L CB -0.460 41.566 42.059 -0.054 0.000 0.893 352 L HN 0.466 nan 8.230 nan 0.000 0.432 353 K N -0.044 120.334 120.400 -0.037 0.000 2.009 353 K HA -0.220 4.153 4.320 0.089 0.000 0.210 353 K C 1.963 178.533 176.600 -0.049 0.000 1.049 353 K CA 1.676 57.940 56.287 -0.038 0.000 0.929 353 K CB -0.303 32.183 32.500 -0.024 0.000 0.714 353 K HN 0.315 nan 8.250 nan 0.000 0.440 354 I N 1.393 121.935 120.570 -0.047 0.000 2.163 354 I HA -0.307 3.916 4.170 0.089 0.000 0.243 354 I C 2.322 178.375 176.117 -0.107 0.000 1.085 354 I CA 1.299 62.560 61.300 -0.065 0.000 1.347 354 I CB -0.324 37.646 38.000 -0.051 0.000 1.044 354 I HN 0.120 nan 8.210 nan 0.000 0.408 355 L N -0.226 120.932 121.223 -0.108 0.000 2.046 355 L HA -0.181 4.213 4.340 0.089 0.000 0.208 355 L C 2.630 179.448 176.870 -0.085 0.000 1.077 355 L CA 1.222 55.974 54.840 -0.146 0.000 0.747 355 L CB -0.630 41.386 42.059 -0.072 0.000 0.896 355 L HN 0.193 nan 8.230 nan 0.000 0.432 356 S N -0.284 115.380 115.700 -0.061 0.000 2.419 356 S HA -0.158 4.365 4.470 0.089 0.000 0.233 356 S C 1.881 176.462 174.600 -0.032 0.000 1.016 356 S CA 1.087 59.267 58.200 -0.032 0.000 0.974 356 S CB -0.129 63.038 63.200 -0.055 0.000 0.786 356 S HN 0.346 nan 8.310 nan 0.000 0.492 357 K N 1.165 121.527 120.400 -0.062 0.000 2.283 357 K HA 0.016 4.389 4.320 0.089 0.000 0.202 357 K C 0.420 176.974 176.600 -0.077 0.000 1.048 357 K CA 0.689 56.939 56.287 -0.062 0.000 0.948 357 K CB 0.046 32.505 32.500 -0.068 0.000 0.742 357 K HN 0.308 nan 8.250 nan 0.000 0.458 358 K N 1.355 121.674 120.400 -0.135 0.000 2.355 358 K HA 0.021 4.394 4.320 0.089 0.000 0.270 358 K C -0.278 176.296 176.600 -0.043 0.000 1.003 358 K CA 0.242 56.414 56.287 -0.191 0.000 0.957 358 K CB 0.521 32.681 32.500 -0.567 0.000 0.939 358 K HN -0.023 nan 8.250 nan 0.000 0.482 359 K N 1.910 122.288 120.400 -0.037 0.000 3.150 359 K HA -0.288 4.085 4.320 0.089 0.000 0.267 359 K C -0.690 175.920 176.600 0.016 0.000 1.028 359 K CA 0.694 56.991 56.287 0.016 0.000 0.753 359 K CB -1.632 30.914 32.500 0.077 0.000 1.288 359 K HN 0.980 nan 8.250 nan 0.000 0.473 360 N N -0.476 118.222 118.700 -0.003 0.000 2.667 360 N HA -0.245 4.548 4.740 0.089 0.000 0.263 360 N C 0.742 176.253 175.510 0.001 0.000 1.038 360 N CA 1.431 54.480 53.050 -0.002 0.000 0.749 360 N CB -0.860 37.629 38.487 0.004 0.000 0.892 360 N HN 0.808 nan 8.380 nan 0.000 0.546 361 G N -0.905 107.893 108.800 -0.003 0.000 2.196 361 G HA2 -0.283 3.730 3.960 0.089 0.000 0.268 361 G HA3 -0.283 3.730 3.960 0.089 0.000 0.268 361 G C 0.818 175.726 174.900 0.013 0.000 0.975 361 G CA 0.535 45.635 45.100 -0.001 0.000 0.648 361 G HN 1.051 nan 8.290 nan 0.000 0.538 362 G N -0.913 107.904 108.800 0.029 0.000 3.337 362 G HA2 0.395 4.408 3.960 0.089 0.000 0.246 362 G HA3 0.395 4.408 3.960 0.089 0.000 0.246 362 G C 0.314 175.240 174.900 0.043 0.000 1.131 362 G CA 0.067 45.182 45.100 0.025 0.000 0.773 362 G HN 0.565 nan 8.290 nan 0.000 0.544 363 Y N 0.889 121.139 120.300 -0.082 0.000 2.544 363 Y HA 0.272 4.876 4.550 0.090 0.000 0.330 363 Y C 0.707 176.533 175.900 -0.123 0.000 1.136 363 Y CA -1.459 56.574 58.100 -0.111 0.000 1.417 363 Y CB 0.427 38.805 38.460 -0.136 0.000 1.229 363 Y HN 0.021 nan 8.280 nan 0.000 0.532 364 C N 8.188 127.152 119.300 -0.560 0.000 2.663 364 C HA 0.433 4.947 4.460 0.089 0.000 0.398 364 C C -0.421 174.226 174.990 -0.572 0.000 1.356 364 C CA -0.598 58.172 59.018 -0.414 0.000 1.629 364 C CB -2.329 25.285 27.740 -0.209 0.000 2.402 364 C HN 0.595 nan 8.230 nan 0.000 0.598 365 V N 8.811 128.531 119.914 -0.324 0.000 2.409 365 V HA 0.478 4.652 4.120 0.089 0.000 0.291 365 V C 0.022 176.025 176.094 -0.151 0.000 1.020 365 V CA -0.293 61.823 62.300 -0.307 0.000 0.848 365 V CB 1.273 32.862 31.823 -0.389 0.000 0.990 365 V HN 0.713 nan 8.190 nan 0.000 0.430 366 L N 4.289 125.507 121.223 -0.007 0.000 2.354 366 L HA 0.670 5.063 4.340 0.089 0.000 0.269 366 L C -0.442 176.505 176.870 0.128 0.000 1.005 366 L CA -0.569 54.294 54.840 0.039 0.000 0.819 366 L CB 2.201 44.291 42.059 0.052 0.000 1.311 366 L HN 0.587 nan 8.230 nan 0.000 0.423 367 Q N 2.573 122.387 119.800 0.023 0.000 2.325 367 Q HA 0.550 4.944 4.340 0.089 0.000 0.270 367 Q C -1.229 174.620 176.000 -0.253 0.000 1.020 367 Q CA -0.792 54.993 55.803 -0.031 0.000 0.785 367 Q CB 2.236 31.000 28.738 0.043 0.000 1.259 367 Q HN 0.556 nan 8.270 nan 0.000 0.452 368 M N 3.186 122.494 119.600 -0.486 0.000 2.404 368 M HA 0.315 4.848 4.480 0.089 0.000 0.338 368 M C -1.149 174.804 176.300 -0.577 0.000 1.150 368 M CA -0.499 54.350 55.300 -0.752 0.000 1.016 368 M CB 1.522 33.184 32.600 -1.563 0.000 1.672 368 M HN 0.491 nan 8.290 nan 0.000 0.448 369 D N 5.788 125.961 120.400 -0.378 0.000 2.358 369 D HA 0.193 4.886 4.640 0.089 0.000 0.258 369 D C -1.799 174.493 176.300 -0.013 0.000 1.223 369 D CA -1.682 52.230 54.000 -0.146 0.000 0.886 369 D CB 1.254 42.020 40.800 -0.056 0.000 1.120 369 D HN 0.415 nan 8.370 nan 0.000 0.482 370 P HA -0.100 nan 4.420 nan 0.000 0.223 370 P C 0.199 177.646 177.300 0.244 0.000 1.151 370 P CA 0.865 64.161 63.100 0.327 0.000 0.787 370 P CB 0.272 32.115 31.700 0.239 0.000 0.788 371 N N -1.560 117.233 118.700 0.155 0.000 2.463 371 N HA -0.075 4.718 4.740 0.089 0.000 0.181 371 N C 0.599 176.188 175.510 0.132 0.000 1.078 371 N CA -0.120 52.999 53.050 0.115 0.000 0.902 371 N CB -0.899 37.631 38.487 0.072 0.000 0.970 371 N HN 0.197 nan 8.380 nan 0.000 0.451 372 Y N 2.401 122.730 120.300 0.049 0.000 2.620 372 Y HA 0.039 4.644 4.550 0.091 0.000 0.330 372 Y C -0.215 175.723 175.900 0.063 0.000 1.186 372 Y CA -0.012 58.107 58.100 0.032 0.000 1.467 372 Y CB 0.438 38.893 38.460 -0.008 0.000 1.262 372 Y HN -0.017 nan 8.280 nan 0.000 0.550 373 E N 8.344 128.088 120.200 -0.761 0.000 2.234 373 E HA 0.301 4.705 4.350 0.089 0.000 0.266 373 E C -2.625 173.406 176.600 -0.948 0.000 0.877 373 E CA -2.036 53.979 56.400 -0.642 0.000 0.758 373 E CB 1.765 31.301 29.700 -0.273 0.000 1.170 373 E HN 0.520 nan 8.360 nan 0.000 0.415 374 P HA 0.142 nan 4.420 nan 0.000 0.274 374 P C -0.322 176.891 177.300 -0.144 0.000 1.246 374 P CA -0.452 62.473 63.100 -0.292 0.000 0.795 374 P CB 0.899 32.588 31.700 -0.018 0.000 1.006 375 D N 0.796 121.167 120.400 -0.048 0.000 2.400 375 D HA -0.033 4.660 4.640 0.089 0.000 0.238 375 D C 1.177 177.471 176.300 -0.011 0.000 1.157 375 D CA 0.185 54.173 54.000 -0.021 0.000 0.889 375 D CB 0.279 41.086 40.800 0.012 0.000 1.199 375 D HN 0.308 nan 8.370 nan 0.000 0.436 376 D N 0.153 120.548 120.400 -0.010 0.000 2.144 376 D HA -0.083 4.611 4.640 0.089 0.000 0.199 376 D C 0.271 176.578 176.300 0.012 0.000 0.984 376 D CA 1.082 55.080 54.000 -0.002 0.000 0.834 376 D CB 0.182 40.979 40.800 -0.005 0.000 0.955 376 D HN 0.315 nan 8.370 nan 0.000 0.465 377 N N 1.095 119.805 118.700 0.017 0.000 2.466 377 N HA 0.252 5.046 4.740 0.089 0.000 0.294 377 N C -0.287 175.243 175.510 0.033 0.000 1.129 377 N CA -0.180 52.885 53.050 0.025 0.000 0.931 377 N CB 1.830 40.331 38.487 0.023 0.000 1.193 377 N HN 0.190 nan 8.380 nan 0.000 0.500 378 E N 0.303 120.526 120.200 0.039 0.000 2.356 378 E HA 0.591 4.994 4.350 0.089 0.000 0.275 378 E C -1.114 175.513 176.600 0.044 0.000 0.904 378 E CA -0.693 55.733 56.400 0.043 0.000 0.757 378 E CB 1.714 31.445 29.700 0.052 0.000 1.232 378 E HN 0.365 nan 8.360 nan 0.000 0.442 379 I N 1.604 122.200 120.570 0.043 0.000 2.569 379 I HA 0.502 4.725 4.170 0.089 0.000 0.296 379 I C -0.453 175.694 176.117 0.049 0.000 1.028 379 I CA -1.003 60.325 61.300 0.047 0.000 1.082 379 I CB 1.924 39.952 38.000 0.048 0.000 1.264 379 I HN 0.581 nan 8.210 nan 0.000 0.429 380 R N 2.305 122.838 120.500 0.056 0.000 2.744 380 R HA 0.706 5.099 4.340 0.089 0.000 0.279 380 R C -1.285 175.054 176.300 0.065 0.000 0.977 380 R CA -0.730 55.408 56.100 0.064 0.000 0.906 380 R CB 1.533 31.874 30.300 0.069 0.000 1.197 380 R HN 0.344 nan 8.270 nan 0.000 0.463 381 T N 3.240 117.836 114.554 0.071 0.000 2.767 381 T HA 0.367 4.771 4.350 0.089 0.000 0.288 381 T C -1.066 173.678 174.700 0.073 0.000 0.963 381 T CA -0.437 61.703 62.100 0.066 0.000 1.019 381 T CB 0.746 69.652 68.868 0.063 0.000 0.923 381 T HN 0.363 nan 8.240 nan 0.000 0.468 382 L N 5.065 126.335 121.223 0.079 0.000 2.356 382 L HA 0.462 4.855 4.340 0.089 0.000 0.277 382 L C -0.388 176.582 176.870 0.167 0.000 0.996 382 L CA -0.830 54.071 54.840 0.102 0.000 0.822 382 L CB 0.707 42.816 42.059 0.082 0.000 1.256 382 L HN 0.709 nan 8.230 nan 0.000 0.413 383 Y N 5.587 125.890 120.300 0.005 0.000 3.054 383 Y HA -0.192 4.412 4.550 0.089 0.000 0.210 383 Y C 1.373 177.277 175.900 0.007 0.000 1.212 383 Y CA 1.346 59.447 58.100 0.003 0.000 1.118 383 Y CB -1.061 37.399 38.460 -0.000 0.000 1.292 383 Y HN 1.087 nan 8.280 nan 0.000 0.533 384 G N -0.013 108.777 108.800 -0.015 0.000 2.180 384 G HA2 -0.306 3.707 3.960 0.089 0.000 0.263 384 G HA3 -0.306 3.707 3.960 0.089 0.000 0.263 384 G C 0.238 175.111 174.900 -0.045 0.000 0.989 384 G CA 0.512 45.569 45.100 -0.072 0.000 0.692 384 G HN 0.661 nan 8.290 nan 0.000 0.526 385 L N -1.303 119.921 121.223 0.003 0.000 2.313 385 L HA 0.726 5.119 4.340 0.089 0.000 0.268 385 L C 0.082 176.975 176.870 0.038 0.000 1.010 385 L CA -1.204 53.647 54.840 0.018 0.000 0.814 385 L CB 1.694 43.774 42.059 0.035 0.000 1.304 385 L HN -0.017 nan 8.230 nan 0.000 0.441 386 Q N 1.639 121.461 119.800 0.038 0.000 2.322 386 Q HA 0.601 4.994 4.340 0.089 0.000 0.265 386 Q C -1.232 174.795 176.000 0.045 0.000 0.985 386 Q CA 0.002 55.831 55.803 0.044 0.000 0.849 386 Q CB 2.121 30.884 28.738 0.043 0.000 1.274 386 Q HN 0.378 nan 8.270 nan 0.000 0.449 387 L N 2.981 124.233 121.223 0.049 0.000 2.305 387 L HA 0.611 5.004 4.340 0.089 0.000 0.284 387 L C -0.635 176.264 176.870 0.047 0.000 1.013 387 L CA -0.480 54.388 54.840 0.047 0.000 0.819 387 L CB 1.263 43.352 42.059 0.050 0.000 1.227 387 L HN 0.522 nan 8.230 nan 0.000 0.417 388 M N 4.777 124.402 119.600 0.043 0.000 2.383 388 M HA 0.515 5.048 4.480 0.089 0.000 0.325 388 M C -1.300 175.023 176.300 0.039 0.000 1.092 388 M CA -0.207 55.118 55.300 0.041 0.000 0.961 388 M CB 1.955 34.577 32.600 0.036 0.000 1.672 388 M HN 0.701 nan 8.290 nan 0.000 0.438 389 Q N 2.385 122.209 119.800 0.040 0.000 2.534 389 Q HA 0.418 4.811 4.340 0.089 0.000 0.290 389 Q C -1.635 174.385 176.000 0.034 0.000 0.991 389 Q CA -1.263 54.562 55.803 0.037 0.000 0.783 389 Q CB 1.519 30.284 28.738 0.045 0.000 1.470 389 Q HN 0.671 nan 8.270 nan 0.000 0.406 390 K N 1.823 122.238 120.400 0.026 0.000 2.447 390 K HA 0.073 4.446 4.320 0.089 0.000 0.281 390 K C 0.010 176.628 176.600 0.030 0.000 1.031 390 K CA -0.219 56.081 56.287 0.022 0.000 1.019 390 K CB 0.565 33.072 32.500 0.011 0.000 0.918 390 K HN 0.726 nan 8.250 nan 0.000 0.476 391 R N 2.611 123.132 120.500 0.035 0.000 2.863 391 R HA -0.020 4.373 4.340 0.089 0.000 0.273 391 R C -0.061 176.261 176.300 0.037 0.000 1.057 391 R CA -0.387 55.743 56.100 0.051 0.000 1.191 391 R CB 0.192 30.527 30.300 0.058 0.000 1.104 391 R HN 0.438 nan 8.270 nan 0.000 0.519 392 N N 1.392 120.119 118.700 0.045 0.000 2.663 392 N HA -0.027 4.767 4.740 0.089 0.000 0.250 392 N C -0.684 174.827 175.510 0.002 0.000 1.129 392 N CA -0.426 52.628 53.050 0.007 0.000 0.995 392 N CB 0.071 38.546 38.487 -0.020 0.000 1.324 392 N HN 0.706 nan 8.380 nan 0.000 0.512 393 N N 1.444 120.143 118.700 -0.001 0.000 2.276 393 N HA 0.043 4.836 4.740 0.089 0.000 0.212 393 N C -0.219 175.277 175.510 -0.023 0.000 1.127 393 N CA -0.438 52.612 53.050 0.000 0.000 0.834 393 N CB -0.114 38.372 38.487 -0.001 0.000 1.014 393 N HN 0.248 nan 8.380 nan 0.000 0.491 394 A N 0.736 123.530 122.820 -0.043 0.000 2.545 394 A HA 0.252 4.625 4.320 0.089 0.000 0.253 394 A C 0.250 177.795 177.584 -0.065 0.000 1.074 394 A CA -0.308 51.692 52.037 -0.063 0.000 0.760 394 A CB -0.032 18.918 19.000 -0.083 0.000 1.005 394 A HN 0.152 nan 8.150 nan 0.000 0.506 395 V N 4.815 124.689 119.914 -0.067 0.000 2.521 395 V HA 0.105 4.278 4.120 0.089 0.000 0.286 395 V C 0.376 176.407 176.094 -0.104 0.000 1.034 395 V CA 0.471 62.727 62.300 -0.072 0.000 1.045 395 V CB 0.516 32.295 31.823 -0.072 0.000 0.974 395 V HN 0.642 nan 8.190 nan 0.000 0.480 396 I N 6.240 126.753 120.570 -0.096 0.000 2.359 396 I HA 0.468 4.691 4.170 0.089 0.000 0.284 396 I C -0.369 175.675 176.117 -0.122 0.000 1.018 396 I CA -0.243 60.978 61.300 -0.130 0.000 1.173 396 I CB 1.127 39.078 38.000 -0.081 0.000 1.326 396 I HN 0.817 nan 8.210 nan 0.000 0.462 397 D N 4.300 124.581 120.400 -0.199 0.000 3.057 397 D HA 0.288 4.981 4.640 0.089 0.000 0.328 397 D C 0.674 176.819 176.300 -0.259 0.000 1.317 397 D CA -0.743 53.169 54.000 -0.146 0.000 0.973 397 D CB 0.665 41.409 40.800 -0.093 0.000 1.424 397 D HN 0.118 nan 8.370 nan 0.000 0.569 398 R N -0.284 120.149 120.500 -0.112 0.000 2.120 398 R HA -0.031 4.362 4.340 0.089 0.000 0.234 398 R C 1.930 178.122 176.300 -0.181 0.000 1.123 398 R CA 1.759 57.837 56.100 -0.038 0.000 0.975 398 R CB -0.410 29.922 30.300 0.052 0.000 0.866 398 R HN 0.568 nan 8.270 nan 0.000 0.446 399 S N 0.556 116.137 115.700 -0.198 0.000 2.547 399 S HA -0.062 4.461 4.470 0.089 0.000 0.235 399 S C 1.742 176.172 174.600 -0.283 0.000 0.980 399 S CA 0.479 58.576 58.200 -0.173 0.000 0.941 399 S CB -0.077 63.050 63.200 -0.122 0.000 0.763 399 S HN 0.150 nan 8.310 nan 0.000 0.532 400 L N 0.472 121.350 121.223 -0.574 0.000 2.362 400 L HA 0.303 4.696 4.340 0.089 0.000 0.219 400 L C 0.556 177.109 176.870 -0.528 0.000 1.134 400 L CA 1.094 55.544 54.840 -0.649 0.000 0.807 400 L CB -0.909 40.612 42.059 -0.896 0.000 0.927 400 L HN 0.346 nan 8.230 nan 0.000 0.447 401 F N -1.722 118.213 119.950 -0.026 0.000 2.647 401 F HA 0.259 4.839 4.527 0.089 0.000 0.300 401 F C 1.742 177.531 175.800 -0.017 0.000 1.106 401 F CA -0.401 57.586 58.000 -0.023 0.000 1.313 401 F CB -0.661 38.317 39.000 -0.036 0.000 1.007 401 F HN -0.044 nan 8.300 nan 0.000 0.536 402 K N 0.026 120.471 120.400 0.075 0.000 2.288 402 K HA -0.097 4.276 4.320 0.089 0.000 0.201 402 K C 0.626 177.257 176.600 0.052 0.000 1.048 402 K CA 0.684 57.001 56.287 0.051 0.000 0.956 402 K CB -0.087 32.418 32.500 0.007 0.000 0.746 402 K HN 0.002 nan 8.250 nan 0.000 0.461 403 N N 1.582 120.318 118.700 0.061 0.000 3.083 403 N HA 0.147 4.940 4.740 0.089 0.000 0.260 403 N C -1.145 174.407 175.510 0.069 0.000 1.163 403 N CA -0.156 52.930 53.050 0.060 0.000 1.060 403 N CB -0.041 38.483 38.487 0.060 0.000 1.345 403 N HN 0.005 nan 8.380 nan 0.000 0.515 404 I N 2.103 122.706 120.570 0.055 0.000 2.379 404 I HA -0.005 4.218 4.170 0.089 0.000 0.290 404 I C 1.485 177.607 176.117 0.009 0.000 1.063 404 I CA -0.401 60.919 61.300 0.032 0.000 1.351 404 I CB 1.006 39.027 38.000 0.034 0.000 1.410 404 I HN 0.248 nan 8.210 nan 0.000 0.505 405 V N 1.575 121.472 119.914 -0.028 0.000 3.590 405 V HA 0.053 4.226 4.120 0.089 0.000 0.265 405 V C 1.039 177.114 176.094 -0.032 0.000 1.239 405 V CA 0.160 62.444 62.300 -0.026 0.000 1.117 405 V CB -0.840 30.957 31.823 -0.044 0.000 0.818 405 V HN 0.767 nan 8.190 nan 0.000 0.451 406 T N -1.731 112.799 114.554 -0.040 0.000 2.849 406 T HA 0.350 4.753 4.350 0.089 0.000 0.284 406 T C 0.787 175.481 174.700 -0.010 0.000 1.004 406 T CA -0.343 61.741 62.100 -0.027 0.000 1.021 406 T CB 1.625 70.474 68.868 -0.032 0.000 1.013 406 T HN 0.290 nan 8.240 nan 0.000 0.527 407 K N 0.301 120.696 120.400 -0.008 0.000 2.062 407 K HA -0.021 4.352 4.320 0.089 0.000 0.205 407 K C 0.907 177.507 176.600 -0.000 0.000 1.051 407 K CA 0.488 56.773 56.287 -0.003 0.000 0.941 407 K CB -0.313 32.185 32.500 -0.004 0.000 0.719 407 K HN 0.509 nan 8.250 nan 0.000 0.440 408 N N 2.032 120.730 118.700 -0.003 0.000 2.417 408 N HA -0.066 4.727 4.740 0.089 0.000 0.272 408 N C -0.123 175.397 175.510 0.017 0.000 1.304 408 N CA 0.470 53.523 53.050 0.004 0.000 0.906 408 N CB 0.625 39.108 38.487 -0.006 0.000 1.135 408 N HN -0.135 nan 8.380 nan 0.000 0.483 409 K N 1.134 121.547 120.400 0.022 0.000 2.397 409 K HA 0.187 4.560 4.320 0.089 0.000 0.202 409 K C -0.379 176.243 176.600 0.037 0.000 1.022 409 K CA 0.012 56.315 56.287 0.026 0.000 1.141 409 K CB 0.042 32.553 32.500 0.018 0.000 0.857 409 K HN 0.445 nan 8.250 nan 0.000 0.514 410 T N 1.522 116.113 114.554 0.061 0.000 2.751 410 T HA 0.047 4.450 4.350 0.089 0.000 0.279 410 T C -0.535 174.237 174.700 0.120 0.000 0.941 410 T CA 0.258 62.416 62.100 0.097 0.000 1.192 410 T CB 0.048 69.000 68.868 0.140 0.000 0.883 410 T HN -0.101 nan 8.240 nan 0.000 0.534 411 L N 7.781 128.996 121.223 -0.012 0.000 2.489 411 L HA 0.380 4.773 4.340 0.089 0.000 0.257 411 L C -2.145 174.590 176.870 -0.225 0.000 1.215 411 L CA -2.184 52.542 54.840 -0.190 0.000 0.915 411 L CB 1.086 43.039 42.059 -0.176 0.000 1.146 411 L HN 0.373 nan 8.230 nan 0.000 0.494 412 P HA 0.132 nan 4.420 nan 0.000 0.272 412 P C 0.527 177.679 177.300 -0.246 0.000 1.230 412 P CA -0.181 62.802 63.100 -0.196 0.000 0.788 412 P CB 1.273 32.885 31.700 -0.146 0.000 0.949 413 E N 1.661 121.772 120.200 -0.149 0.000 2.114 413 E HA -0.233 4.170 4.350 0.089 0.000 0.199 413 E C 1.893 178.398 176.600 -0.157 0.000 1.008 413 E CA 2.441 58.766 56.400 -0.125 0.000 0.810 413 E CB -0.733 28.925 29.700 -0.070 0.000 0.739 413 E HN 0.525 nan 8.360 nan 0.000 0.456 414 S N -0.415 115.189 115.700 -0.160 0.000 2.399 414 S HA -0.091 4.432 4.470 0.089 0.000 0.231 414 S C 2.193 176.639 174.600 -0.256 0.000 1.022 414 S CA 1.121 59.230 58.200 -0.151 0.000 0.983 414 S CB -0.463 62.680 63.200 -0.095 0.000 0.803 414 S HN 0.371 nan 8.310 nan 0.000 0.480 415 A N 1.877 124.408 122.820 -0.481 0.000 1.872 415 A HA 0.122 4.495 4.320 0.089 0.000 0.214 415 A C 2.424 179.646 177.584 -0.603 0.000 1.187 415 A CA 1.421 52.978 52.037 -0.801 0.000 0.614 415 A CB -1.249 16.647 19.000 -1.840 0.000 0.826 415 A HN 0.415 nan 8.150 nan 0.000 0.442 416 V N 0.636 120.234 119.914 -0.527 0.000 2.233 416 V HA -0.368 3.805 4.120 0.089 0.000 0.252 416 V C 2.706 178.679 176.094 -0.202 0.000 1.063 416 V CA 2.644 64.700 62.300 -0.407 0.000 1.032 416 V CB -0.903 30.821 31.823 -0.165 0.000 0.645 416 V HN 0.690 nan 8.190 nan 0.000 0.446 417 R N -0.108 120.305 120.500 -0.145 0.000 2.080 417 R HA -0.214 4.179 4.340 0.089 0.000 0.236 417 R C 2.053 178.313 176.300 -0.067 0.000 1.137 417 R CA 2.363 58.422 56.100 -0.067 0.000 0.943 417 R CB -0.475 29.789 30.300 -0.060 0.000 0.846 417 R HN 0.559 nan 8.270 nan 0.000 0.431 418 D N 0.496 120.824 120.400 -0.120 0.000 2.183 418 D HA -0.103 4.590 4.640 0.089 0.000 0.203 418 D C 2.024 178.280 176.300 -0.073 0.000 0.969 418 D CA 0.778 54.727 54.000 -0.085 0.000 0.842 418 D CB -0.119 40.630 40.800 -0.083 0.000 0.957 418 D HN 0.276 nan 8.370 nan 0.000 0.484 419 L N 0.318 121.450 121.223 -0.151 0.000 2.131 419 L HA -0.096 4.297 4.340 0.089 0.000 0.210 419 L C 2.350 179.292 176.870 0.120 0.000 1.092 419 L CA 0.604 55.381 54.840 -0.105 0.000 0.759 419 L CB -0.133 41.642 42.059 -0.473 0.000 0.903 419 L HN 0.008 nan 8.230 nan 0.000 0.435 420 I N -1.362 119.309 120.570 0.167 0.000 2.286 420 I HA -0.216 4.007 4.170 0.089 0.000 0.245 420 I C 2.335 178.508 176.117 0.094 0.000 1.104 420 I CA 0.717 62.137 61.300 0.201 0.000 1.397 420 I CB -0.103 38.003 38.000 0.176 0.000 1.072 420 I HN -0.023 nan 8.210 nan 0.000 0.417 421 V N 1.066 121.012 119.914 0.053 0.000 2.295 421 V HA -0.301 3.872 4.120 0.089 0.000 0.246 421 V C 2.730 178.849 176.094 0.041 0.000 1.049 421 V CA 2.049 64.371 62.300 0.038 0.000 1.024 421 V CB -1.183 30.648 31.823 0.014 0.000 0.648 421 V HN 0.484 nan 8.190 nan 0.000 0.447 422 A N -0.248 122.589 122.820 0.028 0.000 1.902 422 A HA -0.219 4.155 4.320 0.089 0.000 0.217 422 A C 2.495 180.097 177.584 0.030 0.000 1.181 422 A CA 2.377 54.427 52.037 0.021 0.000 0.623 422 A CB -0.774 18.225 19.000 -0.001 0.000 0.818 422 A HN 0.506 nan 8.150 nan 0.000 0.443 423 S N -0.316 115.415 115.700 0.051 0.000 2.356 423 S HA -0.096 4.427 4.470 0.089 0.000 0.223 423 S C 1.830 176.438 174.600 0.012 0.000 1.032 423 S CA 1.459 59.679 58.200 0.035 0.000 1.005 423 S CB -0.460 62.782 63.200 0.071 0.000 0.867 423 S HN 0.524 nan 8.310 nan 0.000 0.449 424 I N 1.571 122.169 120.570 0.047 0.000 2.226 424 I HA -0.205 4.018 4.170 0.089 0.000 0.245 424 I C 2.656 178.861 176.117 0.146 0.000 1.100 424 I CA 1.070 62.423 61.300 0.089 0.000 1.374 424 I CB -0.429 37.639 38.000 0.112 0.000 1.057 424 I HN 0.264 nan 8.210 nan 0.000 0.413 425 A N 0.212 123.103 122.820 0.118 0.000 1.902 425 A HA -0.165 4.209 4.320 0.089 0.000 0.217 425 A C 2.432 180.060 177.584 0.073 0.000 1.181 425 A CA 1.697 53.813 52.037 0.130 0.000 0.623 425 A CB -0.979 18.072 19.000 0.084 0.000 0.818 425 A HN 0.243 nan 8.150 nan 0.000 0.443 426 V N 0.279 120.205 119.914 0.019 0.000 2.332 426 V HA -0.295 3.878 4.120 0.089 0.000 0.248 426 V C 2.534 178.565 176.094 -0.104 0.000 1.055 426 V CA 2.413 64.701 62.300 -0.020 0.000 1.038 426 V CB -0.625 31.185 31.823 -0.022 0.000 0.651 426 V HN 0.708 nan 8.190 nan 0.000 0.450 427 K N -0.941 119.337 120.400 -0.203 0.000 2.218 427 K HA -0.204 4.169 4.320 0.089 0.000 0.205 427 K C 1.170 177.228 176.600 -0.902 0.000 1.046 427 K CA 1.812 57.796 56.287 -0.505 0.000 0.933 427 K CB -0.082 32.047 32.500 -0.618 0.000 0.728 427 K HN 0.581 nan 8.250 nan 0.000 0.454 428 Y N -0.162 120.015 120.300 -0.206 0.000 2.696 428 Y HA 0.228 4.832 4.550 0.089 0.000 0.260 428 Y C -0.383 175.504 175.900 -0.022 0.000 1.165 428 Y CA -0.350 57.576 58.100 -0.289 0.000 1.189 428 Y CB 1.031 39.529 38.460 0.062 0.000 1.180 428 Y HN -0.199 nan 8.280 nan 0.000 0.538 429 T N 1.343 115.942 114.554 0.075 0.000 2.823 429 T HA 0.253 4.656 4.350 0.089 0.000 0.279 429 T C -0.210 174.619 174.700 0.216 0.000 0.998 429 T CA -0.877 61.303 62.100 0.134 0.000 0.994 429 T CB 1.283 70.178 68.868 0.045 0.000 0.960 429 T HN -0.116 nan 8.240 nan 0.000 0.448 430 Q N 1.983 121.897 119.800 0.190 0.000 2.286 430 Q HA 0.170 4.563 4.340 0.089 0.000 0.290 430 Q C 0.306 176.280 176.000 -0.042 0.000 1.049 430 Q CA 0.316 56.157 55.803 0.062 0.000 0.923 430 Q CB 0.353 29.142 28.738 0.086 0.000 1.183 430 Q HN 0.611 nan 8.270 nan 0.000 0.383 431 S N 2.148 117.673 115.700 -0.292 0.000 2.603 431 S HA 0.159 4.682 4.470 0.089 0.000 0.268 431 S C 0.629 175.198 174.600 -0.053 0.000 1.317 431 S CA -0.753 57.290 58.200 -0.261 0.000 1.012 431 S CB 0.458 63.309 63.200 -0.581 0.000 0.926 431 S HN 0.683 nan 8.310 nan 0.000 0.539 432 N N -0.222 118.429 118.700 -0.083 0.000 2.381 432 N HA 0.393 5.186 4.740 0.089 0.000 0.254 432 N C -0.916 174.600 175.510 0.009 0.000 1.264 432 N CA -0.553 52.441 53.050 -0.093 0.000 0.942 432 N CB 0.637 39.085 38.487 -0.065 0.000 1.190 432 N HN 0.567 nan 8.380 nan 0.000 0.495 433 S N -0.909 114.822 115.700 0.051 0.000 2.537 433 S HA 0.515 5.038 4.470 0.089 0.000 0.271 433 S C -1.142 173.506 174.600 0.080 0.000 1.148 433 S CA -0.856 57.384 58.200 0.067 0.000 0.868 433 S CB 1.460 64.688 63.200 0.046 0.000 1.115 433 S HN 0.434 nan 8.310 nan 0.000 0.461 434 V N 0.683 120.654 119.914 0.096 0.000 2.876 434 V HA 0.789 4.962 4.120 0.089 0.000 0.312 434 V C -0.676 175.456 176.094 0.064 0.000 1.085 434 V CA -0.675 61.672 62.300 0.078 0.000 0.945 434 V CB 1.765 33.672 31.823 0.139 0.000 1.017 434 V HN 1.273 nan 8.190 nan 0.000 0.428 435 C N 4.191 123.484 119.300 -0.012 0.000 2.535 435 C HA 0.757 5.270 4.460 0.089 0.000 0.319 435 C C -1.276 173.675 174.990 -0.065 0.000 1.171 435 C CA -0.616 58.420 59.018 0.030 0.000 1.394 435 C CB 0.694 28.452 27.740 0.031 0.000 1.990 435 C HN 0.795 nan 8.230 nan 0.000 0.466 436 Y N 3.555 123.858 120.300 0.005 0.000 2.342 436 Y HA 0.671 5.274 4.550 0.088 0.000 0.334 436 Y C 0.606 176.450 175.900 -0.093 0.000 1.067 436 Y CA 0.089 58.173 58.100 -0.027 0.000 1.128 436 Y CB 1.651 40.094 38.460 -0.028 0.000 1.200 436 Y HN 0.971 nan 8.280 nan 0.000 0.464 437 A N 3.136 125.972 122.820 0.026 0.000 2.515 437 A HA 0.894 5.268 4.320 0.089 0.000 0.298 437 A C -1.437 176.088 177.584 -0.099 0.000 1.059 437 A CA -0.817 51.174 52.037 -0.076 0.000 0.698 437 A CB 2.084 21.056 19.000 -0.046 0.000 1.289 437 A HN 0.537 nan 8.150 nan 0.000 0.404 438 K N 0.809 121.104 120.400 -0.174 0.000 2.587 438 K HA 0.511 4.884 4.320 0.089 0.000 0.276 438 K C -1.361 175.184 176.600 -0.092 0.000 0.956 438 K CA 0.005 56.216 56.287 -0.127 0.000 0.857 438 K CB 1.061 33.452 32.500 -0.181 0.000 1.431 438 K HN 0.621 nan 8.250 nan 0.000 0.420 439 D N 2.458 122.853 120.400 -0.008 0.000 2.708 439 D HA -0.162 4.531 4.640 0.089 0.000 0.236 439 D C 0.422 176.743 176.300 0.034 0.000 1.146 439 D CA 2.119 56.148 54.000 0.049 0.000 0.662 439 D CB -1.323 39.566 40.800 0.148 0.000 1.059 439 D HN 1.134 nan 8.370 nan 0.000 0.428 440 G N -0.140 108.660 108.800 -0.001 0.000 2.198 440 G HA2 -0.326 3.687 3.960 0.089 0.000 0.260 440 G HA3 -0.326 3.687 3.960 0.089 0.000 0.260 440 G C 0.013 174.914 174.900 0.001 0.000 1.025 440 G CA 0.814 45.916 45.100 0.003 0.000 0.769 440 G HN 0.688 nan 8.290 nan 0.000 0.507 441 Q N -0.913 118.864 119.800 -0.039 0.000 2.377 441 Q HA 0.509 4.902 4.340 0.089 0.000 0.279 441 Q C -0.287 175.634 176.000 -0.131 0.000 1.049 441 Q CA -0.855 54.911 55.803 -0.061 0.000 0.825 441 Q CB 2.363 31.065 28.738 -0.061 0.000 1.401 441 Q HN 0.250 nan 8.270 nan 0.000 0.404 442 V N 5.434 125.294 119.914 -0.091 0.000 2.529 442 V HA 0.017 4.190 4.120 0.089 0.000 0.292 442 V C 1.197 177.139 176.094 -0.253 0.000 1.028 442 V CA 0.821 63.059 62.300 -0.103 0.000 1.074 442 V CB 0.440 32.250 31.823 -0.021 0.000 0.958 442 V HN 0.754 nan 8.190 nan 0.000 0.481 443 I N 1.800 122.178 120.570 -0.320 0.000 4.187 443 I HA 0.640 4.863 4.170 0.089 0.000 0.326 443 I C 0.766 176.800 176.117 -0.138 0.000 1.302 443 I CA 0.292 61.250 61.300 -0.571 0.000 1.196 443 I CB 0.875 38.226 38.000 -1.081 0.000 1.095 443 I HN 0.626 nan 8.210 nan 0.000 0.411 444 G N 2.166 110.969 108.800 0.005 0.000 2.750 444 G HA2 0.626 4.640 3.960 0.089 0.000 0.298 444 G HA3 0.626 4.640 3.960 0.089 0.000 0.298 444 G C -1.902 173.116 174.900 0.196 0.000 1.412 444 G CA -0.346 44.813 45.100 0.098 0.000 1.078 444 G HN 0.171 nan 8.290 nan 0.000 0.573 445 I N 1.283 121.945 120.570 0.152 0.000 2.692 445 I HA 0.758 4.982 4.170 0.089 0.000 0.293 445 I C -0.039 176.153 176.117 0.126 0.000 1.200 445 I CA -0.729 60.655 61.300 0.140 0.000 1.036 445 I CB 2.235 40.282 38.000 0.078 0.000 1.258 445 I HN 0.751 nan 8.210 nan 0.000 0.421 446 G N 5.185 114.064 108.800 0.130 0.000 2.461 446 G HA2 0.830 4.843 3.960 0.089 0.000 0.323 446 G HA3 0.830 4.843 3.960 0.089 0.000 0.323 446 G C -1.544 173.408 174.900 0.086 0.000 1.229 446 G CA -0.433 44.736 45.100 0.115 0.000 0.941 446 G HN 0.846 nan 8.290 nan 0.000 0.477 447 A N 0.383 123.246 122.820 0.072 0.000 2.475 447 A HA 0.852 5.226 4.320 0.089 0.000 0.301 447 A C 0.785 178.402 177.584 0.056 0.000 1.059 447 A CA 0.188 52.260 52.037 0.058 0.000 0.710 447 A CB 1.401 20.433 19.000 0.052 0.000 1.288 447 A HN 2.505 nan 8.150 nan 0.000 0.408 448 G N 0.150 108.980 108.800 0.050 0.000 2.159 448 G HA2 -0.190 3.824 3.960 0.089 0.000 0.256 448 G HA3 -0.190 3.824 3.960 0.089 0.000 0.256 448 G C 0.184 175.107 174.900 0.038 0.000 0.977 448 G CA 0.553 45.685 45.100 0.054 0.000 0.652 448 G HN 0.815 nan 8.290 nan 0.000 0.531 449 Q N -0.587 119.235 119.800 0.036 0.000 2.237 449 Q HA 0.574 4.967 4.340 0.089 0.000 0.219 449 Q C 1.086 177.090 176.000 0.008 0.000 0.999 449 Q CA -0.160 55.663 55.803 0.033 0.000 0.959 449 Q CB 0.499 29.279 28.738 0.071 0.000 1.173 449 Q HN 0.581 nan 8.270 nan 0.000 0.527 450 Q N -0.490 119.310 119.800 0.001 0.000 2.139 450 Q HA 0.263 4.656 4.340 0.089 0.000 0.219 450 Q C -0.475 175.528 176.000 0.005 0.000 0.805 450 Q CA -0.080 55.709 55.803 -0.023 0.000 1.024 450 Q CB 1.318 30.027 28.738 -0.047 0.000 1.163 450 Q HN 0.424 nan 8.270 nan 0.000 0.485 451 S N -0.279 115.458 115.700 0.062 0.000 2.603 451 S HA 0.358 4.881 4.470 0.089 0.000 0.274 451 S C -0.146 174.581 174.600 0.211 0.000 1.168 451 S CA -0.562 57.725 58.200 0.145 0.000 0.963 451 S CB 1.604 64.898 63.200 0.157 0.000 1.078 451 S HN 0.183 nan 8.310 nan 0.000 0.477 452 R N 3.229 123.858 120.500 0.215 0.000 2.080 452 R HA 0.020 4.414 4.340 0.089 0.000 0.236 452 R C 1.883 178.328 176.300 0.241 0.000 1.137 452 R CA 2.340 58.583 56.100 0.238 0.000 0.943 452 R CB -0.953 29.511 30.300 0.274 0.000 0.846 452 R HN 0.737 nan 8.270 nan 0.000 0.431 453 I N 0.339 121.042 120.570 0.221 0.000 2.286 453 I HA -0.205 4.018 4.170 0.089 0.000 0.248 453 I C 1.396 177.521 176.117 0.012 0.000 1.115 453 I CA 1.752 63.104 61.300 0.086 0.000 1.392 453 I CB -0.451 37.559 38.000 0.016 0.000 1.065 453 I HN 0.291 nan 8.210 nan 0.000 0.418 454 H N -1.571 117.556 119.070 0.095 0.000 2.423 454 H HA -0.127 4.483 4.556 0.089 0.000 0.297 454 H C 2.424 177.807 175.328 0.093 0.000 1.075 454 H CA 1.684 57.779 56.048 0.080 0.000 1.342 454 H CB -0.713 29.088 29.762 0.064 0.000 1.395 454 H HN 0.438 nan 8.280 nan 0.000 0.530 455 C N 0.153 119.588 119.300 0.224 0.000 2.476 455 C HA -0.135 4.378 4.460 0.089 0.000 0.278 455 C C 2.719 177.829 174.990 0.200 0.000 1.274 455 C CA 1.580 60.709 59.018 0.186 0.000 1.713 455 C CB -0.896 26.945 27.740 0.168 0.000 2.039 455 C HN 0.596 nan 8.230 nan 0.000 0.484 456 T N 0.212 114.887 114.554 0.200 0.000 2.759 456 T HA -0.184 4.219 4.350 0.089 0.000 0.269 456 T C 1.958 176.798 174.700 0.232 0.000 1.042 456 T CA 1.500 63.736 62.100 0.226 0.000 1.140 456 T CB -0.279 68.653 68.868 0.107 0.000 0.864 456 T HN 0.587 nan 8.240 nan 0.000 0.455 457 R N 0.018 120.590 120.500 0.119 0.000 2.062 457 R HA 0.054 4.447 4.340 0.089 0.000 0.231 457 R C 2.446 178.793 176.300 0.080 0.000 1.136 457 R CA 1.008 57.148 56.100 0.066 0.000 0.948 457 R CB -0.587 29.710 30.300 -0.005 0.000 0.845 457 R HN 0.236 nan 8.270 nan 0.000 0.430 458 L N 0.681 121.970 121.223 0.109 0.000 2.012 458 L HA -0.151 4.242 4.340 0.089 0.000 0.210 458 L C 2.221 179.154 176.870 0.105 0.000 1.073 458 L CA 2.152 57.054 54.840 0.103 0.000 0.748 458 L CB -0.546 41.584 42.059 0.117 0.000 0.891 458 L HN 0.167 nan 8.230 nan 0.000 0.431 459 A N -0.593 122.328 122.820 0.170 0.000 1.933 459 A HA -0.056 4.317 4.320 0.089 0.000 0.218 459 A C 2.334 179.904 177.584 -0.023 0.000 1.175 459 A CA 1.462 53.628 52.037 0.214 0.000 0.628 459 A CB -1.598 17.658 19.000 0.427 0.000 0.814 459 A HN 0.553 nan 8.150 nan 0.000 0.444 460 G N -0.153 108.578 108.800 -0.115 0.000 2.418 460 G HA2 -0.240 3.773 3.960 0.089 0.000 0.217 460 G HA3 -0.240 3.773 3.960 0.089 0.000 0.217 460 G C 1.103 175.844 174.900 -0.265 0.000 1.158 460 G CA 1.235 46.004 45.100 -0.551 0.000 0.771 460 G HN 0.463 nan 8.290 nan 0.000 0.545 461 D N 0.542 120.895 120.400 -0.079 0.000 2.178 461 D HA -0.020 4.673 4.640 0.089 0.000 0.202 461 D C 2.458 178.777 176.300 0.032 0.000 0.974 461 D CA 0.718 54.714 54.000 -0.008 0.000 0.841 461 D CB -0.107 40.706 40.800 0.023 0.000 0.953 461 D HN 0.304 nan 8.370 nan 0.000 0.478 462 K N 0.546 120.966 120.400 0.034 0.000 2.148 462 K HA 0.023 4.396 4.320 0.089 0.000 0.204 462 K C 2.053 178.737 176.600 0.140 0.000 1.050 462 K CA 0.918 57.263 56.287 0.096 0.000 0.942 462 K CB 0.046 32.605 32.500 0.098 0.000 0.724 462 K HN 0.018 nan 8.250 nan 0.000 0.446 463 A N 1.823 124.654 122.820 0.018 0.000 1.929 463 A HA -0.164 4.209 4.320 0.089 0.000 0.216 463 A C 1.733 179.473 177.584 0.260 0.000 1.176 463 A CA 1.388 53.467 52.037 0.070 0.000 0.628 463 A CB -0.608 18.214 19.000 -0.297 0.000 0.816 463 A HN 0.334 nan 8.150 nan 0.000 0.444 464 N N 0.266 119.053 118.700 0.145 0.000 2.018 464 N HA -0.165 4.628 4.740 0.089 0.000 0.196 464 N C 1.961 177.657 175.510 0.311 0.000 1.043 464 N CA 1.754 54.943 53.050 0.232 0.000 0.856 464 N CB -0.181 38.383 38.487 0.129 0.000 1.042 464 N HN 0.471 nan 8.380 nan 0.000 0.423 465 S N 0.265 116.113 115.700 0.245 0.000 2.370 465 S HA -0.186 4.337 4.470 0.089 0.000 0.226 465 S C 1.438 176.234 174.600 0.328 0.000 1.033 465 S CA 1.018 59.361 58.200 0.239 0.000 1.011 465 S CB -0.582 62.735 63.200 0.194 0.000 0.852 465 S HN 0.525 nan 8.310 nan 0.000 0.457 466 W N 1.598 123.044 121.300 0.243 0.000 2.335 466 W HA -0.144 4.570 4.660 0.089 0.000 0.311 466 W C 2.196 179.034 176.519 0.532 0.000 1.213 466 W CA 1.312 58.851 57.345 0.323 0.000 1.274 466 W CB -0.550 29.071 29.460 0.269 0.000 1.148 466 W HN 0.411 nan 8.180 nan 0.000 0.498 467 W N 0.534 122.003 121.300 0.282 0.000 2.402 467 W HA -0.167 4.546 4.660 0.088 0.000 0.286 467 W C 1.689 178.433 176.519 0.375 0.000 1.221 467 W CA 1.123 58.506 57.345 0.063 0.000 1.257 467 W CB -0.342 29.238 29.460 0.200 0.000 1.120 467 W HN -0.108 nan 8.180 nan 0.000 0.551 468 L N 0.698 122.083 121.223 0.270 0.000 2.141 468 L HA -0.135 4.259 4.340 0.089 0.000 0.209 468 L C 2.511 179.365 176.870 -0.028 0.000 1.094 468 L CA 1.085 55.965 54.840 0.067 0.000 0.763 468 L CB -0.664 41.448 42.059 0.088 0.000 0.908 468 L HN -0.141 nan 8.230 nan 0.000 0.437 469 R N -0.964 119.555 120.500 0.031 0.000 2.341 469 R HA -0.128 4.265 4.340 0.089 0.000 0.213 469 R C 1.514 177.685 176.300 -0.215 0.000 1.082 469 R CA 0.674 56.736 56.100 -0.064 0.000 1.017 469 R CB -0.368 29.898 30.300 -0.057 0.000 0.860 469 R HN 0.462 nan 8.270 nan 0.000 0.473 470 H N -1.347 117.555 119.070 -0.281 0.000 2.551 470 H HA 0.057 4.666 4.556 0.089 0.000 0.266 470 H C 0.482 175.578 175.328 -0.386 0.000 0.964 470 H CA 0.108 55.993 56.048 -0.272 0.000 1.180 470 H CB -0.062 29.512 29.762 -0.314 0.000 1.408 470 H HN 0.102 nan 8.280 nan 0.000 0.563 471 H N 2.826 121.450 119.070 -0.743 0.000 3.001 471 H HA -0.043 4.566 4.556 0.089 0.000 0.334 471 H C -1.459 173.453 175.328 -0.692 0.000 1.034 471 H CA -1.387 53.852 56.048 -1.349 0.000 1.420 471 H CB 1.272 30.260 29.762 -1.290 0.000 1.405 471 H HN 0.171 nan 8.280 nan 0.000 0.593 472 P HA -0.152 nan 4.420 nan 0.000 0.221 472 P C 1.465 178.678 177.300 -0.145 0.000 1.145 472 P CA 1.176 64.072 63.100 -0.340 0.000 0.795 472 P CB 0.112 31.608 31.700 -0.340 0.000 0.775 473 R N -0.118 120.423 120.500 0.068 0.000 2.148 473 R HA -0.026 4.367 4.340 0.089 0.000 0.223 473 R C 1.941 178.135 176.300 -0.177 0.000 1.088 473 R CA 0.815 56.894 56.100 -0.035 0.000 0.985 473 R CB -0.296 29.984 30.300 -0.035 0.000 0.880 473 R HN 0.032 nan 8.270 nan 0.000 0.451 474 V N 0.728 120.545 119.914 -0.161 0.000 2.446 474 V HA -0.158 4.015 4.120 0.089 0.000 0.244 474 V C 2.196 178.211 176.094 -0.131 0.000 1.039 474 V CA 1.237 63.420 62.300 -0.194 0.000 1.045 474 V CB -0.288 31.462 31.823 -0.122 0.000 0.681 474 V HN 0.296 nan 8.190 nan 0.000 0.459 475 L N 1.123 122.260 121.223 -0.145 0.000 2.083 475 L HA -0.113 4.280 4.340 0.089 0.000 0.209 475 L C 2.268 179.071 176.870 -0.111 0.000 1.083 475 L CA 1.840 56.600 54.840 -0.134 0.000 0.752 475 L CB -0.619 41.344 42.059 -0.160 0.000 0.899 475 L HN 0.538 nan 8.230 nan 0.000 0.433 476 S N -1.660 113.970 115.700 -0.117 0.000 2.634 476 S HA 0.181 4.704 4.470 0.089 0.000 0.221 476 S C 0.710 175.249 174.600 -0.101 0.000 0.952 476 S CA -0.343 57.794 58.200 -0.104 0.000 0.930 476 S CB -0.327 62.809 63.200 -0.106 0.000 0.780 476 S HN 0.179 nan 8.310 nan 0.000 0.498 477 M N 2.419 121.963 119.600 -0.093 0.000 2.252 477 M HA 0.128 4.661 4.480 0.089 0.000 0.348 477 M C 0.022 176.301 176.300 -0.035 0.000 1.334 477 M CA 0.781 56.018 55.300 -0.105 0.000 1.071 477 M CB 0.338 32.917 32.600 -0.034 0.000 1.763 477 M HN 0.088 nan 8.290 nan 0.000 0.452 478 K N 4.298 124.652 120.400 -0.078 0.000 2.404 478 K HA 0.381 4.754 4.320 0.089 0.000 0.257 478 K C -1.311 175.216 176.600 -0.122 0.000 1.026 478 K CA -0.285 55.980 56.287 -0.035 0.000 0.951 478 K CB 0.863 33.340 32.500 -0.037 0.000 1.203 478 K HN 0.374 nan 8.250 nan 0.000 0.446 479 F N 2.682 122.562 119.950 -0.117 0.000 2.375 479 F HA 0.165 4.745 4.527 0.089 0.000 0.333 479 F C 1.108 176.799 175.800 -0.182 0.000 1.104 479 F CA -0.516 57.312 58.000 -0.286 0.000 1.149 479 F CB 0.788 39.583 39.000 -0.342 0.000 1.190 479 F HN 0.322 nan 8.300 nan 0.000 0.533 480 K N 1.640 122.023 120.400 -0.029 0.000 2.237 480 K HA 0.661 5.034 4.320 0.089 0.000 0.270 480 K C -0.559 176.032 176.600 -0.015 0.000 1.015 480 K CA -0.750 55.520 56.287 -0.029 0.000 0.949 480 K CB 0.984 33.453 32.500 -0.052 0.000 0.976 480 K HN 0.646 nan 8.250 nan 0.000 0.472 481 A N 1.956 124.767 122.820 -0.015 0.000 2.473 481 A HA 0.405 4.779 4.320 0.089 0.000 0.282 481 A C 1.056 178.627 177.584 -0.022 0.000 1.163 481 A CA 0.446 52.474 52.037 -0.016 0.000 0.827 481 A CB -1.163 17.830 19.000 -0.012 0.000 1.098 481 A HN 1.138 nan 8.150 nan 0.000 0.515 482 G N 1.317 110.100 108.800 -0.028 0.000 2.370 482 G HA2 -0.055 3.959 3.960 0.089 0.000 0.174 482 G HA3 -0.055 3.959 3.960 0.089 0.000 0.174 482 G C -0.104 174.772 174.900 -0.040 0.000 1.002 482 G CA -0.038 45.044 45.100 -0.029 0.000 0.730 482 G HN 1.122 nan 8.290 nan 0.000 0.497 483 V N 3.594 123.475 119.914 -0.055 0.000 2.348 483 V HA 0.393 4.566 4.120 0.089 0.000 0.270 483 V C 0.947 176.971 176.094 -0.116 0.000 1.037 483 V CA -0.425 61.823 62.300 -0.086 0.000 0.872 483 V CB 0.901 32.669 31.823 -0.093 0.000 1.002 483 V HN 0.542 nan 8.190 nan 0.000 0.464 484 K N 5.222 125.567 120.400 -0.090 0.000 2.132 484 K HA 0.371 4.744 4.320 0.089 0.000 0.240 484 K C 0.929 177.460 176.600 -0.115 0.000 1.036 484 K CA -0.697 55.545 56.287 -0.075 0.000 0.888 484 K CB 0.813 33.298 32.500 -0.024 0.000 1.071 484 K HN 0.289 nan 8.250 nan 0.000 0.502 485 R N 0.034 120.490 120.500 -0.072 0.000 2.081 485 R HA -0.174 4.219 4.340 0.089 0.000 0.235 485 R C 2.309 178.580 176.300 -0.048 0.000 1.131 485 R CA 1.813 57.867 56.100 -0.077 0.000 0.960 485 R CB -1.234 29.052 30.300 -0.023 0.000 0.856 485 R HN 0.830 nan 8.270 nan 0.000 0.436 486 A N 1.641 124.486 122.820 0.041 0.000 1.902 486 A HA -0.175 4.198 4.320 0.089 0.000 0.217 486 A C 2.092 179.664 177.584 -0.019 0.000 1.181 486 A CA 1.333 53.426 52.037 0.094 0.000 0.623 486 A CB -0.339 18.798 19.000 0.229 0.000 0.818 486 A HN 0.365 nan 8.150 nan 0.000 0.443 487 E N -0.300 119.863 120.200 -0.062 0.000 2.038 487 E HA -0.148 4.255 4.350 0.089 0.000 0.195 487 E C 2.029 178.530 176.600 -0.166 0.000 1.000 487 E CA 1.422 57.768 56.400 -0.091 0.000 0.803 487 E CB -0.377 29.265 29.700 -0.096 0.000 0.750 487 E HN 0.377 nan 8.360 nan 0.000 0.448 488 V N 1.332 121.024 119.914 -0.369 0.000 2.282 488 V HA -0.320 3.854 4.120 0.089 0.000 0.249 488 V C 2.331 178.268 176.094 -0.263 0.000 1.057 488 V CA 2.135 64.020 62.300 -0.692 0.000 1.032 488 V CB -0.637 30.630 31.823 -0.927 0.000 0.645 488 V HN 0.219 nan 8.190 nan 0.000 0.447 489 S N 0.223 115.846 115.700 -0.128 0.000 2.359 489 S HA -0.272 4.251 4.470 0.089 0.000 0.224 489 S C 1.904 176.543 174.600 0.064 0.000 1.035 489 S CA 2.026 60.225 58.200 -0.001 0.000 1.018 489 S CB -0.626 62.601 63.200 0.045 0.000 0.876 489 S HN 0.718 nan 8.310 nan 0.000 0.448 490 N N 1.689 120.421 118.700 0.053 0.000 2.084 490 N HA -0.050 4.743 4.740 0.089 0.000 0.190 490 N C 1.682 177.331 175.510 0.232 0.000 1.030 490 N CA 1.504 54.617 53.050 0.105 0.000 0.849 490 N CB -0.517 38.006 38.487 0.060 0.000 1.012 490 N HN 0.322 nan 8.380 nan 0.000 0.423 491 A N 0.482 123.471 122.820 0.281 0.000 1.908 491 A HA -0.087 4.286 4.320 0.089 0.000 0.218 491 A C 2.314 180.353 177.584 0.758 0.000 1.181 491 A CA 1.261 53.652 52.037 0.590 0.000 0.627 491 A CB -0.783 18.437 19.000 0.367 0.000 0.818 491 A HN 0.426 nan 8.150 nan 0.000 0.445 492 I N -0.721 120.137 120.570 0.480 0.000 2.439 492 I HA -0.191 4.032 4.170 0.089 0.000 0.251 492 I C 2.206 178.529 176.117 0.344 0.000 1.139 492 I CA 1.709 63.261 61.300 0.421 0.000 1.438 492 I CB -0.368 37.791 38.000 0.264 0.000 1.085 492 I HN 0.447 nan 8.210 nan 0.000 0.427 493 D N 0.600 121.155 120.400 0.259 0.000 2.097 493 D HA -0.224 4.469 4.640 0.089 0.000 0.195 493 D C 2.235 178.634 176.300 0.166 0.000 0.989 493 D CA 1.424 55.537 54.000 0.189 0.000 0.827 493 D CB 0.118 41.004 40.800 0.144 0.000 0.966 493 D HN 0.261 nan 8.370 nan 0.000 0.456 494 Q N -1.049 118.863 119.800 0.186 0.000 2.061 494 Q HA -0.235 4.159 4.340 0.089 0.000 0.204 494 Q C 2.010 177.998 176.000 -0.020 0.000 0.984 494 Q CA 1.595 57.440 55.803 0.070 0.000 0.846 494 Q CB -0.380 28.402 28.738 0.073 0.000 0.902 494 Q HN 0.493 nan 8.270 nan 0.000 0.421 495 Y N 1.081 121.358 120.300 -0.038 0.000 2.053 495 Y HA -0.284 4.319 4.550 0.088 0.000 0.277 495 Y C 2.196 178.044 175.900 -0.086 0.000 1.159 495 Y CA 1.940 59.969 58.100 -0.118 0.000 1.125 495 Y CB -0.342 38.231 38.460 0.188 0.000 0.969 495 Y HN 0.054 nan 8.280 nan 0.000 0.492 496 V N -2.325 117.665 119.914 0.126 0.000 2.871 496 V HA -0.079 4.094 4.120 0.089 0.000 0.256 496 V C 1.724 177.798 176.094 -0.033 0.000 1.082 496 V CA 1.924 64.238 62.300 0.023 0.000 1.105 496 V CB -1.357 30.553 31.823 0.146 0.000 0.713 496 V HN 0.615 nan 8.190 nan 0.000 0.473 497 T N -2.990 111.553 114.554 -0.017 0.000 3.069 497 T HA 0.402 4.805 4.350 0.089 0.000 0.252 497 T C 1.492 176.144 174.700 -0.080 0.000 1.053 497 T CA 0.510 62.596 62.100 -0.022 0.000 0.964 497 T CB -0.075 68.804 68.868 0.018 0.000 1.005 497 T HN 1.632 nan 8.240 nan 0.000 0.532 498 G N 2.299 111.005 108.800 -0.156 0.000 2.338 498 G HA2 -0.234 3.779 3.960 0.089 0.000 0.296 498 G HA3 -0.234 3.779 3.960 0.089 0.000 0.296 498 G C 0.342 175.146 174.900 -0.160 0.000 1.040 498 G CA 0.417 45.392 45.100 -0.207 0.000 1.004 498 G HN 1.123 nan 8.290 nan 0.000 0.509 499 T N -2.658 111.809 114.554 -0.145 0.000 3.415 499 T HA 0.519 4.922 4.350 0.089 0.000 0.282 499 T C 1.903 176.527 174.700 -0.127 0.000 1.007 499 T CA 0.204 62.242 62.100 -0.102 0.000 0.958 499 T CB 0.121 68.964 68.868 -0.042 0.000 1.171 499 T HN 0.273 nan 8.240 nan 0.000 0.500 500 I N 1.716 122.139 120.570 -0.246 0.000 2.202 500 I HA 0.247 4.470 4.170 0.089 0.000 0.242 500 I C 1.815 177.854 176.117 -0.129 0.000 1.091 500 I CA 1.444 62.554 61.300 -0.316 0.000 1.368 500 I CB -0.635 36.961 38.000 -0.673 0.000 1.058 500 I HN 0.749 nan 8.210 nan 0.000 0.410 501 G N 0.777 109.507 108.800 -0.116 0.000 2.549 501 G HA2 -0.151 3.863 3.960 0.089 0.000 0.404 501 G HA3 -0.151 3.863 3.960 0.089 0.000 0.404 501 G C 0.235 175.103 174.900 -0.053 0.000 1.292 501 G CA 0.089 45.156 45.100 -0.056 0.000 0.935 501 G HN 0.400 nan 8.290 nan 0.000 0.512 502 E N -1.581 118.606 120.200 -0.022 0.000 2.502 502 E HA 0.216 4.619 4.350 0.089 0.000 0.206 502 E C 0.525 177.128 176.600 0.005 0.000 0.821 502 E CA 0.573 56.962 56.400 -0.018 0.000 1.354 502 E CB 0.613 30.298 29.700 -0.025 0.000 1.336 502 E HN 0.355 nan 8.360 nan 0.000 0.675 503 D N 1.377 121.785 120.400 0.013 0.000 2.929 503 D HA 0.075 4.769 4.640 0.089 0.000 0.246 503 D C 1.578 177.900 176.300 0.037 0.000 1.237 503 D CA -0.065 53.948 54.000 0.021 0.000 1.171 503 D CB -0.134 40.674 40.800 0.014 0.000 0.933 503 D HN -0.075 nan 8.370 nan 0.000 0.216 504 E N 0.752 120.973 120.200 0.035 0.000 2.169 504 E HA -0.199 4.204 4.350 0.089 0.000 0.202 504 E C 1.297 177.936 176.600 0.065 0.000 1.016 504 E CA 1.229 57.655 56.400 0.044 0.000 0.817 504 E CB -0.183 29.537 29.700 0.035 0.000 0.736 504 E HN 0.330 nan 8.360 nan 0.000 0.462 505 D N 0.517 120.954 120.400 0.063 0.000 2.103 505 D HA -0.113 4.580 4.640 0.089 0.000 0.199 505 D C 2.077 178.461 176.300 0.140 0.000 0.978 505 D CA 0.415 54.467 54.000 0.087 0.000 0.829 505 D CB -0.429 40.402 40.800 0.052 0.000 0.981 505 D HN 0.094 nan 8.370 nan 0.000 0.464 506 L N 0.650 121.937 121.223 0.107 0.000 2.191 506 L HA -0.107 4.286 4.340 0.089 0.000 0.212 506 L C 2.022 179.030 176.870 0.229 0.000 1.103 506 L CA 1.091 56.023 54.840 0.152 0.000 0.769 506 L CB -0.181 41.919 42.059 0.069 0.000 0.908 506 L HN -0.149 nan 8.230 nan 0.000 0.438 507 V N -0.249 119.758 119.914 0.154 0.000 2.229 507 V HA -0.298 3.875 4.120 0.089 0.000 0.243 507 V C 2.568 178.751 176.094 0.149 0.000 1.042 507 V CA 2.159 64.538 62.300 0.132 0.000 1.000 507 V CB -0.560 31.311 31.823 0.081 0.000 0.637 507 V HN 0.429 nan 8.190 nan 0.000 0.446 508 K N -1.305 119.179 120.400 0.140 0.000 2.063 508 K HA -0.282 4.091 4.320 0.089 0.000 0.208 508 K C 1.931 178.631 176.600 0.168 0.000 1.048 508 K CA 2.214 58.575 56.287 0.124 0.000 0.928 508 K CB -0.357 32.207 32.500 0.105 0.000 0.713 508 K HN 0.626 nan 8.250 nan 0.000 0.442 509 W N 2.081 123.433 121.300 0.086 0.000 2.363 509 W HA -0.193 4.520 4.660 0.088 0.000 0.296 509 W C 1.593 178.251 176.519 0.231 0.000 1.212 509 W CA 1.384 58.815 57.345 0.144 0.000 1.260 509 W CB 0.115 29.670 29.460 0.158 0.000 1.131 509 W HN 0.092 nan 8.180 nan 0.000 0.530 510 Q N -0.538 119.444 119.800 0.304 0.000 2.432 510 Q HA 0.073 4.466 4.340 0.089 0.000 0.205 510 Q C 1.821 177.854 176.000 0.055 0.000 0.945 510 Q CA 0.744 56.647 55.803 0.168 0.000 0.924 510 Q CB -0.096 28.776 28.738 0.222 0.000 1.016 510 Q HN 0.266 nan 8.270 nan 0.000 0.503 511 A N 1.013 123.845 122.820 0.020 0.000 2.291 511 A HA 0.070 4.443 4.320 0.089 0.000 0.220 511 A C 1.288 178.816 177.584 -0.093 0.000 1.262 511 A CA 0.102 52.129 52.037 -0.018 0.000 0.867 511 A CB -0.426 18.579 19.000 0.009 0.000 0.888 511 A HN 0.438 nan 8.150 nan 0.000 0.487 512 M N -3.466 116.002 119.600 -0.220 0.000 2.511 512 M HA 0.543 5.076 4.480 0.089 0.000 0.387 512 M C -1.174 174.748 176.300 -0.629 0.000 1.112 512 M CA -0.204 54.893 55.300 -0.338 0.000 0.921 512 M CB 0.187 32.600 32.600 -0.312 0.000 1.501 512 M HN 0.006 nan 8.290 nan 0.000 0.538 513 F N 1.057 120.796 119.950 -0.351 0.000 2.482 513 F HA 0.449 5.030 4.527 0.089 0.000 0.331 513 F C 1.331 176.980 175.800 -0.252 0.000 1.115 513 F CA -0.631 57.110 58.000 -0.432 0.000 0.955 513 F CB 1.862 40.521 39.000 -0.569 0.000 1.136 513 F HN 0.009 nan 8.300 nan 0.000 0.452 514 E N 1.247 121.427 120.200 -0.033 0.000 2.106 514 E HA -0.137 4.266 4.350 0.089 0.000 0.192 514 E C -0.038 176.542 176.600 -0.033 0.000 0.984 514 E CA 1.139 57.520 56.400 -0.031 0.000 0.806 514 E CB 0.218 29.899 29.700 -0.033 0.000 0.750 514 E HN 0.602 nan 8.360 nan 0.000 0.458 515 E N -0.474 119.698 120.200 -0.046 0.000 2.244 515 E HA 0.271 4.674 4.350 0.089 0.000 0.260 515 E C -1.490 174.984 176.600 -0.211 0.000 0.884 515 E CA -0.586 55.755 56.400 -0.100 0.000 0.777 515 E CB 1.494 31.131 29.700 -0.105 0.000 1.197 515 E HN -0.154 nan 8.360 nan 0.000 0.416 516 V N 6.626 126.402 119.914 -0.230 0.000 2.508 516 V HA 0.225 4.398 4.120 0.089 0.000 0.281 516 V C -1.681 174.155 176.094 -0.429 0.000 1.041 516 V CA -1.053 60.986 62.300 -0.434 0.000 1.016 516 V CB 0.357 32.065 31.823 -0.193 0.000 0.984 516 V HN 0.675 nan 8.190 nan 0.000 0.478 517 P HA 0.429 nan 4.420 nan 0.000 0.282 517 P C -0.564 176.687 177.300 -0.082 0.000 1.249 517 P CA -0.395 62.491 63.100 -0.357 0.000 0.806 517 P CB 1.250 32.634 31.700 -0.527 0.000 0.984 518 A N 3.006 125.806 122.820 -0.033 0.000 2.440 518 A HA 0.147 4.521 4.320 0.089 0.000 0.251 518 A C 0.551 178.197 177.584 0.103 0.000 1.089 518 A CA -0.339 51.708 52.037 0.018 0.000 0.779 518 A CB -0.243 18.743 19.000 -0.025 0.000 1.022 518 A HN 0.581 nan 8.150 nan 0.000 0.492 519 Q N 0.497 120.312 119.800 0.025 0.000 2.432 519 Q HA 0.223 4.616 4.340 0.089 0.000 0.264 519 Q C -0.677 175.199 176.000 -0.208 0.000 1.035 519 Q CA 0.171 55.863 55.803 -0.185 0.000 0.908 519 Q CB 0.432 28.983 28.738 -0.313 0.000 1.280 519 Q HN 0.647 nan 8.270 nan 0.000 0.455 520 L N 1.406 122.416 121.223 -0.355 0.000 2.371 520 L HA 0.170 4.563 4.340 0.089 0.000 0.272 520 L C 0.445 177.187 176.870 -0.213 0.000 1.124 520 L CA -0.265 54.410 54.840 -0.275 0.000 0.816 520 L CB 0.823 42.663 42.059 -0.365 0.000 1.129 520 L HN 0.614 nan 8.230 nan 0.000 0.448 521 T N 0.435 114.907 114.554 -0.137 0.000 2.868 521 T HA 0.047 4.451 4.350 0.089 0.000 0.292 521 T C 1.152 175.800 174.700 -0.087 0.000 1.028 521 T CA -0.600 61.440 62.100 -0.100 0.000 1.059 521 T CB 0.858 69.688 68.868 -0.063 0.000 0.991 521 T HN 0.602 nan 8.240 nan 0.000 0.531 522 E N 0.755 120.913 120.200 -0.070 0.000 2.160 522 E HA -0.170 4.234 4.350 0.089 0.000 0.195 522 E C 2.330 178.920 176.600 -0.017 0.000 0.991 522 E CA 1.053 57.425 56.400 -0.048 0.000 0.810 522 E CB -0.200 29.474 29.700 -0.042 0.000 0.742 522 E HN 0.707 nan 8.360 nan 0.000 0.466 523 A N 1.292 124.105 122.820 -0.012 0.000 1.969 523 A HA -0.206 4.167 4.320 0.089 0.000 0.218 523 A C 1.872 179.477 177.584 0.035 0.000 1.169 523 A CA 1.218 53.262 52.037 0.012 0.000 0.635 523 A CB -0.214 18.791 19.000 0.008 0.000 0.810 523 A HN 0.158 nan 8.150 nan 0.000 0.445 524 E N -0.191 120.019 120.200 0.017 0.000 2.112 524 E HA -0.112 4.291 4.350 0.089 0.000 0.190 524 E C 1.834 178.486 176.600 0.086 0.000 0.979 524 E CA 0.757 57.184 56.400 0.045 0.000 0.814 524 E CB -0.052 29.634 29.700 -0.023 0.000 0.762 524 E HN 0.408 nan 8.360 nan 0.000 0.460 525 K N 1.488 121.905 120.400 0.029 0.000 2.002 525 K HA -0.180 4.194 4.320 0.089 0.000 0.209 525 K C 2.206 178.903 176.600 0.162 0.000 1.048 525 K CA 1.511 57.840 56.287 0.070 0.000 0.930 525 K CB -0.337 32.161 32.500 -0.003 0.000 0.714 525 K HN 0.150 nan 8.250 nan 0.000 0.438 526 K N 1.292 121.757 120.400 0.108 0.000 2.063 526 K HA -0.245 4.129 4.320 0.089 0.000 0.208 526 K C 2.302 178.990 176.600 0.147 0.000 1.048 526 K CA 1.677 58.031 56.287 0.112 0.000 0.928 526 K CB -0.274 32.264 32.500 0.064 0.000 0.713 526 K HN -0.043 nan 8.250 nan 0.000 0.442 527 Q N 0.658 120.552 119.800 0.157 0.000 2.061 527 Q HA -0.187 4.207 4.340 0.089 0.000 0.204 527 Q C 1.887 178.036 176.000 0.248 0.000 0.984 527 Q CA 2.006 57.911 55.803 0.171 0.000 0.846 527 Q CB -0.444 28.393 28.738 0.166 0.000 0.902 527 Q HN 0.627 nan 8.270 nan 0.000 0.421 528 W N 0.439 121.814 121.300 0.124 0.000 2.355 528 W HA -0.185 4.528 4.660 0.088 0.000 0.309 528 W C 1.703 178.433 176.519 0.351 0.000 1.206 528 W CA 1.431 58.867 57.345 0.150 0.000 1.284 528 W CB -0.274 29.242 29.460 0.093 0.000 1.145 528 W HN 0.254 nan 8.180 nan 0.000 0.502 529 I N 1.466 122.278 120.570 0.403 0.000 2.264 529 I HA -0.311 3.912 4.170 0.089 0.000 0.248 529 I C 2.566 178.798 176.117 0.191 0.000 1.111 529 I CA 1.638 63.185 61.300 0.411 0.000 1.382 529 I CB -0.731 37.445 38.000 0.292 0.000 1.060 529 I HN -0.041 nan 8.210 nan 0.000 0.418 530 A N 0.013 122.906 122.820 0.122 0.000 2.168 530 A HA -0.120 4.253 4.320 0.089 0.000 0.215 530 A C 2.179 179.751 177.584 -0.020 0.000 1.152 530 A CA 0.961 53.018 52.037 0.032 0.000 0.716 530 A CB -0.300 18.722 19.000 0.037 0.000 0.794 530 A HN 0.268 nan 8.150 nan 0.000 0.465 531 K N -0.906 119.491 120.400 -0.003 0.000 2.155 531 K HA 0.018 4.392 4.320 0.089 0.000 0.203 531 K C 0.240 176.702 176.600 -0.229 0.000 1.052 531 K CA 0.089 56.330 56.287 -0.078 0.000 0.948 531 K CB -0.399 32.014 32.500 -0.146 0.000 0.728 531 K HN 0.427 nan 8.250 nan 0.000 0.448 532 L N 2.560 123.507 121.223 -0.460 0.000 2.455 532 L HA 0.014 4.407 4.340 0.089 0.000 0.272 532 L C 0.186 176.794 176.870 -0.437 0.000 1.174 532 L CA 0.762 55.075 54.840 -0.879 0.000 0.869 532 L CB 0.491 41.757 42.059 -1.320 0.000 1.130 532 L HN 0.210 nan 8.230 nan 0.000 0.474 533 T N 1.717 116.053 114.554 -0.364 0.000 2.901 533 T HA 0.718 5.121 4.350 0.089 0.000 0.293 533 T C 0.225 174.828 174.700 -0.163 0.000 1.084 533 T CA -0.424 61.544 62.100 -0.220 0.000 1.008 533 T CB 1.566 70.339 68.868 -0.158 0.000 1.170 533 T HN 1.589 nan 8.240 nan 0.000 0.509 534 A N 0.186 122.921 122.820 -0.142 0.000 2.846 534 A HA -0.006 4.368 4.320 0.089 0.000 0.287 534 A C 0.317 177.960 177.584 0.100 0.000 1.469 534 A CA 0.497 52.522 52.037 -0.020 0.000 0.757 534 A CB -2.636 16.448 19.000 0.141 0.000 1.033 534 A HN 1.252 nan 8.150 nan 0.000 0.516 535 V N 0.534 120.441 119.914 -0.011 0.000 2.785 535 V HA 0.575 4.749 4.120 0.089 0.000 0.300 535 V C 0.951 177.125 176.094 0.132 0.000 1.062 535 V CA 0.262 62.587 62.300 0.042 0.000 1.029 535 V CB 1.850 33.681 31.823 0.013 0.000 1.024 535 V HN 0.676 nan 8.190 nan 0.000 0.477 536 S N 3.351 119.129 115.700 0.130 0.000 2.578 536 S HA 0.819 5.342 4.470 0.089 0.000 0.301 536 S C -0.844 173.761 174.600 0.008 0.000 1.091 536 S CA -0.476 57.799 58.200 0.125 0.000 1.032 536 S CB 1.677 64.915 63.200 0.063 0.000 1.064 536 S HN 0.553 nan 8.310 nan 0.000 0.508 537 L N 1.581 122.784 121.223 -0.033 0.000 2.455 537 L HA 0.765 5.158 4.340 0.089 0.000 0.264 537 L C -0.776 176.057 176.870 -0.062 0.000 0.968 537 L CA -0.014 54.731 54.840 -0.158 0.000 0.827 537 L CB 2.136 44.022 42.059 -0.289 0.000 1.317 537 L HN 0.618 nan 8.230 nan 0.000 0.407 538 S N 2.418 118.074 115.700 -0.072 0.000 2.500 538 S HA 0.811 5.334 4.470 0.089 0.000 0.301 538 S C -1.115 173.447 174.600 -0.064 0.000 1.092 538 S CA -0.364 57.813 58.200 -0.039 0.000 1.030 538 S CB 1.395 64.592 63.200 -0.006 0.000 1.031 538 S HN 0.836 nan 8.310 nan 0.000 0.483 539 S N 1.642 117.260 115.700 -0.136 0.000 2.503 539 S HA 0.365 4.889 4.470 0.089 0.000 0.301 539 S C 0.472 174.985 174.600 -0.145 0.000 1.087 539 S CA -0.648 57.452 58.200 -0.166 0.000 1.042 539 S CB 1.119 64.012 63.200 -0.512 0.000 1.043 539 S HN 0.859 nan 8.310 nan 0.000 0.489 540 D N 2.594 122.963 120.400 -0.051 0.000 2.348 540 D HA 0.240 4.933 4.640 0.089 0.000 0.216 540 D C 0.437 176.664 176.300 -0.122 0.000 0.970 540 D CA 0.513 54.498 54.000 -0.025 0.000 0.889 540 D CB -0.019 40.848 40.800 0.112 0.000 0.912 540 D HN 0.525 nan 8.370 nan 0.000 0.524 541 A N -0.509 122.210 122.820 -0.169 0.000 2.569 541 A HA 0.570 4.944 4.320 0.089 0.000 0.290 541 A C -0.713 176.651 177.584 -0.367 0.000 1.136 541 A CA -1.094 50.737 52.037 -0.343 0.000 0.710 541 A CB 0.524 19.328 19.000 -0.326 0.000 1.303 541 A HN 0.141 nan 8.150 nan 0.000 0.413 542 F N -0.667 119.154 119.950 -0.215 0.000 2.545 542 F HA 0.580 5.160 4.527 0.089 0.000 0.348 542 F C -0.662 175.064 175.800 -0.124 0.000 1.163 542 F CA -1.026 56.838 58.000 -0.225 0.000 1.331 542 F CB -0.419 38.468 39.000 -0.188 0.000 1.138 542 F HN 0.230 nan 8.300 nan 0.000 0.602 543 F N 4.059 124.207 119.950 0.331 0.000 2.438 543 F HA 0.296 4.876 4.527 0.089 0.000 0.360 543 F C -1.377 174.546 175.800 0.205 0.000 1.118 543 F CA -2.597 55.540 58.000 0.228 0.000 1.164 543 F CB 0.229 39.322 39.000 0.154 0.000 1.131 543 F HN 0.341 nan 8.300 nan 0.000 0.527 544 P HA -0.047 nan 4.420 nan 0.000 0.222 544 P C -0.361 176.504 177.300 -0.726 0.000 1.153 544 P CA 1.232 64.201 63.100 -0.219 0.000 0.798 544 P CB 0.345 31.874 31.700 -0.286 0.000 0.796 545 F N -1.248 118.821 119.950 0.197 0.000 2.626 545 F HA 0.384 4.964 4.527 0.089 0.000 0.311 545 F C 1.660 177.492 175.800 0.052 0.000 1.088 545 F CA -1.139 56.922 58.000 0.102 0.000 0.949 545 F CB 0.916 39.960 39.000 0.073 0.000 1.322 545 F HN -0.374 nan 8.300 nan 0.000 0.461 546 R N -0.069 120.568 120.500 0.228 0.000 2.280 546 R HA -0.033 4.361 4.340 0.089 0.000 0.207 546 R C 0.475 176.776 176.300 0.002 0.000 1.043 546 R CA 1.540 57.686 56.100 0.077 0.000 1.006 546 R CB -0.601 29.740 30.300 0.067 0.000 0.885 546 R HN 0.652 nan 8.270 nan 0.000 0.467 547 D N 1.139 121.560 120.400 0.035 0.000 2.221 547 D HA -0.198 4.495 4.640 0.089 0.000 0.204 547 D C 0.863 177.103 176.300 -0.100 0.000 0.982 547 D CA 0.796 54.782 54.000 -0.024 0.000 0.857 547 D CB -0.316 40.481 40.800 -0.006 0.000 0.934 547 D HN 0.384 nan 8.370 nan 0.000 0.475 548 N N 0.817 119.396 118.700 -0.201 0.000 2.142 548 N HA -0.083 4.710 4.740 0.089 0.000 0.186 548 N C 2.201 177.435 175.510 -0.460 0.000 1.023 548 N CA 0.664 53.440 53.050 -0.456 0.000 0.852 548 N CB 0.060 37.904 38.487 -1.072 0.000 0.998 548 N HN 0.143 nan 8.380 nan 0.000 0.424 549 V N 2.019 121.712 119.914 -0.369 0.000 2.379 549 V HA -0.161 4.012 4.120 0.089 0.000 0.245 549 V C 1.753 177.777 176.094 -0.116 0.000 1.044 549 V CA 1.504 63.674 62.300 -0.217 0.000 1.036 549 V CB -0.456 31.301 31.823 -0.110 0.000 0.664 549 V HN 0.140 nan 8.190 nan 0.000 0.453 550 D N 0.147 120.493 120.400 -0.091 0.000 2.097 550 D HA -0.194 4.499 4.640 0.089 0.000 0.195 550 D C 2.300 178.576 176.300 -0.041 0.000 0.989 550 D CA 1.523 55.490 54.000 -0.054 0.000 0.827 550 D CB -0.260 40.515 40.800 -0.042 0.000 0.966 550 D HN 0.243 nan 8.370 nan 0.000 0.456 551 R N 1.285 121.758 120.500 -0.046 0.000 2.083 551 R HA -0.067 4.326 4.340 0.089 0.000 0.237 551 R C 2.033 178.365 176.300 0.053 0.000 1.137 551 R CA 1.879 57.976 56.100 -0.005 0.000 0.951 551 R CB -0.847 29.452 30.300 -0.002 0.000 0.851 551 R HN 0.090 nan 8.270 nan 0.000 0.434 552 A N 0.698 123.555 122.820 0.062 0.000 1.883 552 A HA -0.230 4.143 4.320 0.089 0.000 0.217 552 A C 2.119 179.763 177.584 0.101 0.000 1.186 552 A CA 2.083 54.226 52.037 0.177 0.000 0.624 552 A CB -0.689 18.325 19.000 0.024 0.000 0.822 552 A HN 0.386 nan 8.150 nan 0.000 0.444 553 K N 0.032 120.436 120.400 0.007 0.000 2.113 553 K HA -0.141 4.232 4.320 0.089 0.000 0.208 553 K C 2.033 178.622 176.600 -0.019 0.000 1.047 553 K CA 1.713 57.984 56.287 -0.027 0.000 0.928 553 K CB -0.284 32.189 32.500 -0.045 0.000 0.716 553 K HN 0.465 nan 8.250 nan 0.000 0.446 554 R N -0.524 119.974 120.500 -0.003 0.000 2.241 554 R HA -0.067 4.326 4.340 0.089 0.000 0.224 554 R C 1.094 177.391 176.300 -0.005 0.000 1.101 554 R CA 1.076 57.174 56.100 -0.004 0.000 0.995 554 R CB -0.152 30.148 30.300 0.001 0.000 0.870 554 R HN 0.233 nan 8.270 nan 0.000 0.463 555 I N -0.674 119.893 120.570 -0.006 0.000 3.877 555 I HA 0.240 4.463 4.170 0.089 0.000 0.332 555 I C 0.499 176.572 176.117 -0.073 0.000 1.525 555 I CA 0.269 61.546 61.300 -0.039 0.000 1.146 555 I CB 0.737 38.673 38.000 -0.107 0.000 1.137 555 I HN 0.248 nan 8.210 nan 0.000 0.424 556 G N 0.477 109.233 108.800 -0.073 0.000 2.141 556 G HA2 -0.187 3.826 3.960 0.089 0.000 0.231 556 G HA3 -0.187 3.826 3.960 0.089 0.000 0.231 556 G C 0.226 175.058 174.900 -0.114 0.000 0.984 556 G CA 0.060 45.083 45.100 -0.128 0.000 0.660 556 G HN 0.243 nan 8.290 nan 0.000 0.525 557 V N 0.763 120.650 119.914 -0.045 0.000 2.529 557 V HA 0.286 4.459 4.120 0.089 0.000 0.292 557 V C 1.337 177.304 176.094 -0.212 0.000 1.028 557 V CA 1.646 63.909 62.300 -0.062 0.000 1.074 557 V CB 1.595 33.432 31.823 0.023 0.000 0.958 557 V HN 0.549 nan 8.190 nan 0.000 0.481 558 Q N 3.269 122.816 119.800 -0.423 0.000 2.280 558 Q HA 0.295 4.688 4.340 0.089 0.000 0.244 558 Q C -0.787 174.634 176.000 -0.965 0.000 0.847 558 Q CA 0.142 55.455 55.803 -0.816 0.000 0.945 558 Q CB 0.700 28.684 28.738 -1.257 0.000 1.115 558 Q HN 0.696 nan 8.270 nan 0.000 0.513 559 F N 0.812 120.719 119.950 -0.072 0.000 2.536 559 F HA 0.530 5.110 4.527 0.089 0.000 0.322 559 F C -0.604 175.149 175.800 -0.079 0.000 1.144 559 F CA -0.812 57.130 58.000 -0.097 0.000 0.924 559 F CB 1.354 40.267 39.000 -0.144 0.000 1.181 559 F HN -0.163 nan 8.300 nan 0.000 0.438 560 I N 3.499 124.127 120.570 0.096 0.000 2.498 560 I HA 0.568 4.791 4.170 0.089 0.000 0.290 560 I C -1.273 174.884 176.117 0.067 0.000 1.032 560 I CA -1.186 60.164 61.300 0.082 0.000 1.073 560 I CB 2.405 40.491 38.000 0.143 0.000 1.251 560 I HN 0.361 nan 8.210 nan 0.000 0.426 561 V N 5.809 125.760 119.914 0.063 0.000 2.487 561 V HA 0.937 5.110 4.120 0.089 0.000 0.298 561 V C -0.655 175.440 176.094 0.002 0.000 1.028 561 V CA 0.003 62.355 62.300 0.087 0.000 0.860 561 V CB 1.486 33.432 31.823 0.204 0.000 0.991 561 V HN 0.906 nan 8.190 nan 0.000 0.427 562 A N 7.224 130.049 122.820 0.008 0.000 2.606 562 A HA 0.967 5.340 4.320 0.089 0.000 0.293 562 A C -3.202 174.395 177.584 0.023 0.000 1.082 562 A CA -1.628 50.344 52.037 -0.109 0.000 0.685 562 A CB 2.173 20.936 19.000 -0.395 0.000 1.284 562 A HN 0.619 nan 8.150 nan 0.000 0.408 563 P HA 0.149 nan 4.420 nan 0.000 0.267 563 P C 0.419 177.628 177.300 -0.152 0.000 1.200 563 P CA 0.295 63.350 63.100 -0.076 0.000 0.772 563 P CB 0.724 32.356 31.700 -0.114 0.000 0.855 564 S N 1.489 116.980 115.700 -0.349 0.000 2.633 564 S HA 0.490 5.013 4.470 0.089 0.000 0.257 564 S C 1.250 175.688 174.600 -0.270 0.000 1.265 564 S CA 0.778 58.578 58.200 -0.667 0.000 0.980 564 S CB -0.392 62.516 63.200 -0.487 0.000 1.017 564 S HN 0.787 nan 8.310 nan 0.000 0.577 565 G N 0.095 108.675 108.800 -0.367 0.000 2.705 565 G HA2 -0.114 3.899 3.960 0.089 0.000 0.193 565 G HA3 -0.114 3.899 3.960 0.089 0.000 0.193 565 G C 0.243 174.696 174.900 -0.745 0.000 1.015 565 G CA 0.375 45.279 45.100 -0.326 0.000 0.743 565 G HN 1.611 nan 8.290 nan 0.000 0.476 566 S N 0.684 115.628 115.700 -1.259 0.000 2.614 566 S HA 0.697 5.220 4.470 0.089 0.000 0.265 566 S C 1.658 175.942 174.600 -0.526 0.000 1.303 566 S CA 0.758 58.247 58.200 -1.184 0.000 1.000 566 S CB 1.766 64.215 63.200 -1.251 0.000 0.935 566 S HN 1.638 nan 8.310 nan 0.000 0.551 567 A N 1.406 124.004 122.820 -0.369 0.000 2.119 567 A HA 0.429 4.803 4.320 0.089 0.000 0.216 567 A C 1.732 179.227 177.584 -0.149 0.000 1.152 567 A CA 0.858 52.776 52.037 -0.198 0.000 0.708 567 A CB -0.911 18.016 19.000 -0.122 0.000 0.805 567 A HN 1.401 nan 8.150 nan 0.000 0.460 568 A N -0.501 122.202 122.820 -0.195 0.000 2.833 568 A HA 0.350 4.724 4.320 0.089 0.000 0.293 568 A C 0.730 178.264 177.584 -0.084 0.000 1.338 568 A CA 0.031 52.008 52.037 -0.100 0.000 0.959 568 A CB -0.270 18.687 19.000 -0.072 0.000 1.094 568 A HN 0.255 nan 8.150 nan 0.000 0.569 569 D N 0.376 120.711 120.400 -0.108 0.000 2.117 569 D HA -0.118 4.575 4.640 0.089 0.000 0.198 569 D C 1.521 177.860 176.300 0.066 0.000 0.982 569 D CA 1.036 55.026 54.000 -0.017 0.000 0.828 569 D CB 0.176 40.927 40.800 -0.082 0.000 0.967 569 D HN 0.373 nan 8.370 nan 0.000 0.464 570 E N 0.386 120.601 120.200 0.026 0.000 2.204 570 E HA -0.084 4.319 4.350 0.089 0.000 0.195 570 E C 2.310 178.934 176.600 0.039 0.000 0.990 570 E CA 0.167 56.587 56.400 0.034 0.000 0.821 570 E CB -0.147 29.563 29.700 0.016 0.000 0.750 570 E HN 0.166 nan 8.360 nan 0.000 0.477 571 V N 0.431 120.371 119.914 0.043 0.000 2.379 571 V HA -0.166 4.007 4.120 0.089 0.000 0.245 571 V C 2.440 178.573 176.094 0.065 0.000 1.044 571 V CA 1.037 63.370 62.300 0.055 0.000 1.036 571 V CB -0.268 31.600 31.823 0.076 0.000 0.664 571 V HN 0.068 nan 8.190 nan 0.000 0.453 572 V N -0.085 119.880 119.914 0.086 0.000 2.427 572 V HA -0.216 3.957 4.120 0.089 0.000 0.248 572 V C 2.152 178.287 176.094 0.068 0.000 1.051 572 V CA 1.900 64.262 62.300 0.104 0.000 1.048 572 V CB -0.426 31.508 31.823 0.184 0.000 0.666 572 V HN 0.436 nan 8.190 nan 0.000 0.456 573 I N -0.092 120.513 120.570 0.057 0.000 2.142 573 I HA -0.263 3.960 4.170 0.089 0.000 0.240 573 I C 2.548 178.668 176.117 0.004 0.000 1.078 573 I CA 1.782 63.086 61.300 0.006 0.000 1.343 573 I CB -0.421 37.588 38.000 0.016 0.000 1.046 573 I HN 0.341 nan 8.210 nan 0.000 0.405 574 E N 0.841 121.051 120.200 0.017 0.000 2.085 574 E HA -0.241 4.162 4.350 0.089 0.000 0.194 574 E C 2.350 178.954 176.600 0.006 0.000 0.994 574 E CA 1.302 57.709 56.400 0.010 0.000 0.801 574 E CB -0.222 29.487 29.700 0.016 0.000 0.743 574 E HN 0.525 nan 8.360 nan 0.000 0.453 575 A N 0.644 123.472 122.820 0.014 0.000 1.917 575 A HA -0.243 4.130 4.320 0.089 0.000 0.219 575 A C 2.402 179.980 177.584 -0.010 0.000 1.182 575 A CA 1.509 53.549 52.037 0.006 0.000 0.633 575 A CB -0.882 18.128 19.000 0.017 0.000 0.819 575 A HN 0.390 nan 8.150 nan 0.000 0.448 576 C N -0.711 118.582 119.300 -0.011 0.000 2.457 576 C HA -0.030 4.483 4.460 0.089 0.000 0.278 576 C C 2.654 177.623 174.990 -0.035 0.000 1.309 576 C CA 0.831 59.832 59.018 -0.029 0.000 1.735 576 C CB -1.441 26.281 27.740 -0.030 0.000 1.992 576 C HN 0.634 nan 8.230 nan 0.000 0.493 577 N N 0.997 119.682 118.700 -0.026 0.000 2.069 577 N HA -0.163 4.631 4.740 0.089 0.000 0.191 577 N C 1.816 177.311 175.510 -0.026 0.000 1.031 577 N CA 1.423 54.459 53.050 -0.024 0.000 0.852 577 N CB -0.655 37.823 38.487 -0.015 0.000 1.018 577 N HN 0.684 nan 8.380 nan 0.000 0.423 578 E N 0.857 121.045 120.200 -0.021 0.000 2.058 578 E HA -0.147 4.257 4.350 0.089 0.000 0.194 578 E C 1.397 177.978 176.600 -0.031 0.000 0.997 578 E CA 0.891 57.278 56.400 -0.021 0.000 0.801 578 E CB -0.141 29.550 29.700 -0.015 0.000 0.746 578 E HN 0.319 nan 8.360 nan 0.000 0.450 579 L N 0.127 121.326 121.223 -0.039 0.000 2.612 579 L HA 0.167 4.560 4.340 0.089 0.000 0.230 579 L C 1.203 178.030 176.870 -0.072 0.000 1.140 579 L CA 0.351 55.160 54.840 -0.052 0.000 0.896 579 L CB 0.028 42.054 42.059 -0.054 0.000 1.065 579 L HN 0.443 nan 8.230 nan 0.000 0.447 580 G N 1.259 110.017 108.800 -0.069 0.000 2.221 580 G HA2 -0.297 3.716 3.960 0.089 0.000 0.265 580 G HA3 -0.297 3.716 3.960 0.089 0.000 0.265 580 G C 0.056 174.875 174.900 -0.135 0.000 1.041 580 G CA 0.022 45.069 45.100 -0.088 0.000 0.807 580 G HN 0.343 nan 8.290 nan 0.000 0.502 581 I N 0.978 121.476 120.570 -0.120 0.000 2.359 581 I HA 0.297 4.520 4.170 0.089 0.000 0.294 581 I C 0.636 176.698 176.117 -0.091 0.000 0.987 581 I CA -0.588 60.621 61.300 -0.151 0.000 1.225 581 I CB 1.659 39.591 38.000 -0.114 0.000 1.366 581 I HN 0.016 nan 8.210 nan 0.000 0.466 582 T N 7.418 121.930 114.554 -0.071 0.000 2.761 582 T HA 0.343 4.746 4.350 0.089 0.000 0.296 582 T C -0.405 174.309 174.700 0.023 0.000 0.934 582 T CA -0.171 61.945 62.100 0.027 0.000 1.091 582 T CB 0.490 69.456 68.868 0.164 0.000 0.896 582 T HN 0.226 nan 8.240 nan 0.000 0.515 583 L N 5.593 126.803 121.223 -0.021 0.000 2.319 583 L HA 0.625 5.018 4.340 0.089 0.000 0.281 583 L C -1.174 175.646 176.870 -0.083 0.000 1.005 583 L CA -0.637 54.166 54.840 -0.063 0.000 0.828 583 L CB 0.709 42.686 42.059 -0.137 0.000 1.227 583 L HN 0.475 nan 8.230 nan 0.000 0.415 584 I N 4.889 125.450 120.570 -0.015 0.000 2.331 584 I HA 0.328 4.551 4.170 0.089 0.000 0.292 584 I C -0.083 176.069 176.117 0.058 0.000 0.998 584 I CA 0.097 61.430 61.300 0.056 0.000 1.267 584 I CB 0.896 39.016 38.000 0.201 0.000 1.386 584 I HN 0.568 nan 8.210 nan 0.000 0.476 585 H N 3.453 122.551 119.070 0.046 0.000 2.458 585 H HA 0.561 5.170 4.556 0.089 0.000 0.330 585 H C 0.080 175.408 175.328 0.000 0.000 1.111 585 H CA -0.641 55.416 56.048 0.014 0.000 1.245 585 H CB 1.359 31.123 29.762 0.003 0.000 1.456 585 H HN 0.684 nan 8.280 nan 0.000 0.488 586 T N -0.036 114.587 114.554 0.114 0.000 2.927 586 T HA 0.229 4.632 4.350 0.089 0.000 0.286 586 T C 0.507 175.185 174.700 -0.036 0.000 1.040 586 T CA -1.061 61.046 62.100 0.013 0.000 1.010 586 T CB 1.313 70.168 68.868 -0.022 0.000 1.177 586 T HN 0.488 nan 8.240 nan 0.000 0.546 587 N N 0.457 119.123 118.700 -0.056 0.000 2.389 587 N HA 0.249 5.042 4.740 0.089 0.000 0.260 587 N C -1.032 174.426 175.510 -0.088 0.000 1.191 587 N CA -0.186 52.822 53.050 -0.071 0.000 0.885 587 N CB 0.251 38.703 38.487 -0.060 0.000 1.162 587 N HN 0.500 nan 8.380 nan 0.000 0.512 588 L N 0.911 122.075 121.223 -0.099 0.000 2.384 588 L HA 0.386 4.779 4.340 0.089 0.000 0.261 588 L C 0.023 176.799 176.870 -0.156 0.000 1.024 588 L CA -0.548 54.221 54.840 -0.118 0.000 0.899 588 L CB 0.576 42.570 42.059 -0.109 0.000 1.243 588 L HN -0.098 nan 8.230 nan 0.000 0.449 589 R N 3.359 123.737 120.500 -0.204 0.000 2.543 589 R HA 0.400 4.793 4.340 0.089 0.000 0.277 589 R C -0.336 175.818 176.300 -0.245 0.000 1.074 589 R CA -0.125 55.787 56.100 -0.313 0.000 1.076 589 R CB 0.594 30.608 30.300 -0.477 0.000 0.993 589 R HN 0.768 nan 8.270 nan 0.000 0.459 590 L N 5.224 126.321 121.223 -0.210 0.000 3.255 590 L HA 0.288 4.681 4.340 0.089 0.000 0.293 590 L C -0.657 176.241 176.870 0.048 0.000 1.302 590 L CA -0.585 54.193 54.840 -0.104 0.000 0.977 590 L CB 0.133 42.122 42.059 -0.117 0.000 1.390 590 L HN 0.485 nan 8.230 nan 0.000 0.588 591 F N 0.352 120.243 119.950 -0.098 0.000 2.553 591 F HA 0.170 4.750 4.527 0.088 0.000 0.356 591 F C 0.682 176.436 175.800 -0.078 0.000 1.142 591 F CA -0.063 57.877 58.000 -0.101 0.000 1.322 591 F CB 0.098 39.071 39.000 -0.045 0.000 1.126 591 F HN 0.141 nan 8.300 nan 0.000 0.599 592 H N 2.690 121.640 119.070 -0.201 0.000 2.966 592 H HA 0.453 5.062 4.556 0.088 0.000 0.347 592 H C -1.155 173.874 175.328 -0.499 0.000 1.048 592 H CA -0.382 55.537 56.048 -0.214 0.000 1.295 592 H CB 0.753 30.432 29.762 -0.137 0.000 1.744 592 H HN 0.562 nan 8.280 nan 0.000 0.513 593 H N 0.000 118.918 119.070 -0.254 0.000 2.539 593 H HA 0.000 4.609 4.556 0.088 0.000 0.296 593 H CA 0.000 55.912 56.048 -0.227 0.000 1.023 593 H CB 0.000 29.703 29.762 -0.098 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496