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 3cmw_1_C DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEXX XXXXXXXXGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKXXXXXXNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LL 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 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.096 176.094 0.004 0.000 1.182 37 V CA 0.000 62.303 62.300 0.006 0.000 1.235 37 V CB 0.000 31.826 31.823 0.005 0.000 1.184 38 E N 2.638 122.840 120.200 0.003 0.000 2.212 38 E HA 0.804 5.175 4.350 0.034 0.000 0.268 38 E C -0.631 175.968 176.600 -0.001 0.000 0.902 38 E CA -0.284 56.117 56.400 0.001 0.000 0.779 38 E CB 2.373 32.073 29.700 -0.000 0.000 1.172 38 E HN 0.872 nan 8.360 nan 0.000 0.409 39 T N 1.001 115.554 114.554 -0.003 0.000 2.924 39 T HA 0.612 4.982 4.350 0.034 0.000 0.291 39 T C -0.353 174.341 174.700 -0.010 0.000 1.045 39 T CA -0.864 61.234 62.100 -0.005 0.000 1.015 39 T CB 1.110 69.976 68.868 -0.002 0.000 1.103 39 T HN 0.257 nan 8.240 nan 0.000 0.496 40 I N 1.778 122.340 120.570 -0.013 0.000 2.569 40 I HA 0.453 4.644 4.170 0.034 0.000 0.296 40 I C 0.747 176.850 176.117 -0.024 0.000 1.028 40 I CA -0.739 60.548 61.300 -0.021 0.000 1.082 40 I CB 1.869 39.855 38.000 -0.023 0.000 1.264 40 I HN 0.965 nan 8.210 nan 0.000 0.429 41 S N 2.680 118.359 115.700 -0.035 0.000 2.573 41 S HA 0.088 4.579 4.470 0.034 0.000 0.277 41 S C 1.295 175.868 174.600 -0.046 0.000 1.346 41 S CA 0.377 58.554 58.200 -0.039 0.000 1.034 41 S CB 0.450 63.611 63.200 -0.064 0.000 0.879 41 S HN 0.793 nan 8.310 nan 0.000 0.528 42 T N 0.929 115.458 114.554 -0.041 0.000 3.081 42 T HA 0.374 4.745 4.350 0.034 0.000 0.250 42 T C 1.475 176.123 174.700 -0.086 0.000 1.100 42 T CA 0.650 62.720 62.100 -0.050 0.000 1.038 42 T CB -0.267 68.578 68.868 -0.038 0.000 0.962 42 T HN 1.603 nan 8.240 nan 0.000 0.516 43 G N 0.861 109.601 108.800 -0.101 0.000 2.241 43 G HA2 -0.244 3.736 3.960 0.034 0.000 0.244 43 G HA3 -0.244 3.736 3.960 0.034 0.000 0.244 43 G C 0.225 175.069 174.900 -0.093 0.000 0.998 43 G CA 0.208 45.224 45.100 -0.140 0.000 0.621 43 G HN 1.086 nan 8.290 nan 0.000 0.519 44 S N -0.092 115.523 115.700 -0.141 0.000 2.449 44 S HA 0.631 5.122 4.470 0.034 0.000 0.310 44 S C 1.174 175.754 174.600 -0.034 0.000 1.096 44 S CA 0.086 58.159 58.200 -0.213 0.000 1.095 44 S CB 1.549 64.358 63.200 -0.653 0.000 1.007 44 S HN 1.045 nan 8.310 nan 0.000 0.474 45 L N 5.746 126.943 121.223 -0.044 0.000 2.072 45 L HA 0.053 4.414 4.340 0.034 0.000 0.205 45 L C 2.495 179.333 176.870 -0.054 0.000 1.079 45 L CA 2.635 57.433 54.840 -0.070 0.000 0.752 45 L CB -0.952 40.872 42.059 -0.392 0.000 0.906 45 L HN 0.892 nan 8.230 nan 0.000 0.436 46 S N -1.211 114.461 115.700 -0.047 0.000 2.428 46 S HA -0.157 4.334 4.470 0.034 0.000 0.230 46 S C 2.084 176.720 174.600 0.060 0.000 1.014 46 S CA 1.143 59.356 58.200 0.023 0.000 0.957 46 S CB -0.892 62.352 63.200 0.073 0.000 0.784 46 S HN 0.498 nan 8.310 nan 0.000 0.499 47 L N 1.429 122.692 121.223 0.065 0.000 2.027 47 L HA -0.104 4.257 4.340 0.034 0.000 0.206 47 L C 1.975 178.865 176.870 0.034 0.000 1.074 47 L CA 1.969 56.852 54.840 0.073 0.000 0.745 47 L CB -0.659 41.440 42.059 0.066 0.000 0.898 47 L HN 0.237 nan 8.230 nan 0.000 0.433 48 D N 0.149 120.559 120.400 0.017 0.000 2.158 48 D HA -0.219 4.442 4.640 0.034 0.000 0.197 48 D C 2.121 178.432 176.300 0.017 0.000 0.995 48 D CA 1.404 55.413 54.000 0.016 0.000 0.846 48 D CB -0.102 40.713 40.800 0.024 0.000 0.941 48 D HN 0.379 nan 8.370 nan 0.000 0.456 49 I N 0.746 121.327 120.570 0.018 0.000 2.286 49 I HA -0.191 4.000 4.170 0.034 0.000 0.245 49 I C 2.432 178.562 176.117 0.021 0.000 1.104 49 I CA 0.873 62.183 61.300 0.018 0.000 1.397 49 I CB -0.163 37.846 38.000 0.014 0.000 1.072 49 I HN -0.081 nan 8.210 nan 0.000 0.417 50 A N 0.747 123.584 122.820 0.029 0.000 1.940 50 A HA -0.166 4.175 4.320 0.034 0.000 0.219 50 A C 2.219 179.812 177.584 0.016 0.000 1.176 50 A CA 1.439 53.494 52.037 0.030 0.000 0.631 50 A CB -0.906 18.120 19.000 0.045 0.000 0.814 50 A HN 0.417 nan 8.150 nan 0.000 0.446 51 L N -1.388 119.842 121.223 0.013 0.000 2.551 51 L HA 0.046 4.406 4.340 0.034 0.000 0.228 51 L C 2.140 179.009 176.870 -0.002 0.000 1.153 51 L CA 0.631 55.472 54.840 0.000 0.000 0.851 51 L CB -0.374 41.686 42.059 0.003 0.000 0.959 51 L HN 0.638 nan 8.230 nan 0.000 0.451 52 G N -0.188 108.615 108.800 0.005 0.000 2.609 52 G HA2 -0.440 3.541 3.960 0.034 0.000 0.235 52 G HA3 -0.440 3.541 3.960 0.034 0.000 0.235 52 G C 1.075 175.978 174.900 0.006 0.000 1.177 52 G CA 0.535 45.638 45.100 0.005 0.000 0.707 52 G HN 0.469 nan 8.290 nan 0.000 0.513 53 A N 0.237 123.059 122.820 0.003 0.000 2.275 53 A HA 0.580 4.921 4.320 0.034 0.000 0.212 53 A C 2.497 180.085 177.584 0.006 0.000 1.201 53 A CA 1.870 53.909 52.037 0.004 0.000 0.843 53 A CB -0.375 18.626 19.000 0.002 0.000 0.873 53 A HN 2.591 nan 8.150 nan 0.000 0.492 54 G N -2.914 105.890 108.800 0.008 0.000 2.176 54 G HA2 0.305 4.286 3.960 0.034 0.000 0.232 54 G HA3 0.305 4.286 3.960 0.034 0.000 0.232 54 G C 0.885 175.789 174.900 0.007 0.000 0.986 54 G CA 0.314 45.420 45.100 0.010 0.000 0.643 54 G HN 2.133 nan 8.290 nan 0.000 0.522 55 G N -1.386 107.416 108.800 0.003 0.000 2.333 55 G HA2 0.506 4.486 3.960 0.034 0.000 0.288 55 G HA3 0.506 4.486 3.960 0.034 0.000 0.288 55 G C -0.886 174.013 174.900 -0.002 0.000 1.286 55 G CA -0.459 44.640 45.100 -0.001 0.000 0.865 55 G HN 0.872 nan 8.290 nan 0.000 0.506 56 L N 2.075 123.296 121.223 -0.004 0.000 2.371 56 L HA 0.433 4.794 4.340 0.034 0.000 0.272 56 L C -1.812 175.057 176.870 -0.001 0.000 1.124 56 L CA -1.666 53.173 54.840 -0.001 0.000 0.816 56 L CB 1.507 43.565 42.059 -0.002 0.000 1.129 56 L HN 0.309 nan 8.230 nan 0.000 0.448 57 P HA 0.157 nan 4.420 nan 0.000 0.286 57 P C -0.717 176.586 177.300 0.004 0.000 1.269 57 P CA -0.546 62.557 63.100 0.004 0.000 0.787 57 P CB 0.951 32.657 31.700 0.009 0.000 0.920 58 M N 2.018 121.618 119.600 0.001 0.000 2.245 58 M HA 0.199 4.700 4.480 0.034 0.000 0.344 58 M C 1.599 177.902 176.300 0.006 0.000 1.170 58 M CA 0.883 56.183 55.300 -0.001 0.000 1.135 58 M CB -0.820 31.779 32.600 -0.003 0.000 1.574 58 M HN 0.835 nan 8.290 nan 0.000 0.452 59 G N 2.434 111.237 108.800 0.005 0.000 2.143 59 G HA2 -0.207 3.773 3.960 0.034 0.000 0.248 59 G HA3 -0.207 3.773 3.960 0.034 0.000 0.248 59 G C 0.162 175.078 174.900 0.027 0.000 0.991 59 G CA -0.019 45.088 45.100 0.013 0.000 0.689 59 G HN 0.554 nan 8.290 nan 0.000 0.522 60 R N -0.962 119.554 120.500 0.028 0.000 2.930 60 R HA 0.763 5.123 4.340 0.034 0.000 0.257 60 R C 0.081 176.415 176.300 0.056 0.000 1.107 60 R CA -1.126 55.004 56.100 0.049 0.000 0.999 60 R CB 0.857 31.183 30.300 0.044 0.000 1.209 60 R HN 0.200 nan 8.270 nan 0.000 0.486 61 I N 0.749 121.378 120.570 0.099 0.000 2.392 61 I HA 0.387 4.578 4.170 0.034 0.000 0.295 61 I C -0.273 175.921 176.117 0.129 0.000 0.985 61 I CA -0.886 60.496 61.300 0.136 0.000 1.221 61 I CB 1.836 39.976 38.000 0.234 0.000 1.366 61 I HN -0.036 nan 8.210 nan 0.000 0.467 62 V N 5.327 125.315 119.914 0.122 0.000 2.735 62 V HA 0.385 4.526 4.120 0.034 0.000 0.310 62 V C -0.454 175.738 176.094 0.164 0.000 1.061 62 V CA -0.647 61.718 62.300 0.107 0.000 0.913 62 V CB 2.140 33.994 31.823 0.052 0.000 1.005 62 V HN 0.729 nan 8.190 nan 0.000 0.428 63 E N 3.653 123.948 120.200 0.159 0.000 2.199 63 E HA 0.673 5.043 4.350 0.034 0.000 0.269 63 E C -1.620 175.073 176.600 0.156 0.000 0.899 63 E CA -0.627 55.890 56.400 0.194 0.000 0.772 63 E CB 1.816 31.636 29.700 0.200 0.000 1.155 63 E HN 0.622 nan 8.360 nan 0.000 0.408 64 I N 5.106 125.767 120.570 0.152 0.000 2.436 64 I HA 0.357 4.548 4.170 0.034 0.000 0.289 64 I C -1.011 175.199 176.117 0.156 0.000 1.010 64 I CA -0.971 60.381 61.300 0.087 0.000 1.098 64 I CB 0.997 39.036 38.000 0.066 0.000 1.266 64 I HN 0.491 nan 8.210 nan 0.000 0.434 65 Y N 3.898 124.235 120.300 0.061 0.000 2.581 65 Y HA 0.998 5.569 4.550 0.034 0.000 0.345 65 Y C -0.256 175.695 175.900 0.086 0.000 1.036 65 Y CA -1.131 57.003 58.100 0.057 0.000 1.042 65 Y CB 1.987 40.464 38.460 0.028 0.000 1.289 65 Y HN 0.702 nan 8.280 nan 0.000 0.471 66 G N 0.744 109.733 108.800 0.314 0.000 2.316 66 G HA2 0.444 4.425 3.960 0.034 0.000 0.296 66 G HA3 0.444 4.425 3.960 0.034 0.000 0.296 66 G C -3.549 171.565 174.900 0.356 0.000 1.399 66 G CA -1.308 43.941 45.100 0.248 0.000 0.833 66 G HN 0.504 nan 8.290 nan 0.000 0.565 67 P HA 0.284 nan 4.420 nan 0.000 0.272 67 P C -0.251 177.082 177.300 0.055 0.000 1.254 67 P CA -0.250 62.965 63.100 0.191 0.000 0.795 67 P CB 0.237 31.977 31.700 0.066 0.000 1.022 68 E N -0.577 119.356 120.200 -0.445 0.000 2.413 68 E HA 0.184 4.555 4.350 0.034 0.000 0.263 68 E C 0.116 176.651 176.600 -0.108 0.000 1.015 68 E CA -0.071 56.077 56.400 -0.420 0.000 0.916 68 E CB -0.629 28.677 29.700 -0.657 0.000 0.947 68 E HN 0.273 nan 8.360 nan 0.000 0.440 69 S N 0.648 116.336 115.700 -0.021 0.000 3.587 69 S HA -0.224 4.267 4.470 0.034 0.000 0.337 69 S C 0.965 175.609 174.600 0.074 0.000 1.119 69 S CA 0.981 59.190 58.200 0.015 0.000 0.976 69 S CB -1.792 61.388 63.200 -0.033 0.000 0.922 69 S HN 0.734 nan 8.310 nan 0.000 0.503 70 S N -0.213 115.542 115.700 0.092 0.000 2.528 70 S HA 0.434 4.925 4.470 0.034 0.000 0.219 70 S C 1.510 176.184 174.600 0.123 0.000 0.985 70 S CA 0.781 59.041 58.200 0.100 0.000 0.914 70 S CB 0.502 63.758 63.200 0.093 0.000 0.776 70 S HN 1.985 nan 8.310 nan 0.000 0.526 71 G N 1.246 110.132 108.800 0.144 0.000 2.145 71 G HA2 -0.174 3.806 3.960 0.034 0.000 0.145 71 G HA3 -0.174 3.806 3.960 0.034 0.000 0.145 71 G C 0.576 175.580 174.900 0.174 0.000 1.017 71 G CA 0.095 45.302 45.100 0.178 0.000 0.682 71 G HN 0.436 nan 8.290 nan 0.000 0.504 72 K N -0.199 120.293 120.400 0.155 0.000 2.002 72 K HA -0.043 4.297 4.320 0.034 0.000 0.209 72 K C 2.560 179.255 176.600 0.159 0.000 1.048 72 K CA 1.888 58.262 56.287 0.146 0.000 0.930 72 K CB -0.346 32.239 32.500 0.141 0.000 0.714 72 K HN 0.272 nan 8.250 nan 0.000 0.438 73 T N 0.954 115.614 114.554 0.176 0.000 2.674 73 T HA -0.142 4.229 4.350 0.034 0.000 0.265 73 T C 1.996 176.817 174.700 0.201 0.000 1.039 73 T CA 1.874 64.105 62.100 0.218 0.000 1.150 73 T CB -0.486 68.511 68.868 0.216 0.000 0.864 73 T HN 0.274 nan 8.240 nan 0.000 0.427 74 T N 2.692 117.366 114.554 0.200 0.000 2.597 74 T HA -0.120 4.250 4.350 0.034 0.000 0.267 74 T C 1.868 176.650 174.700 0.138 0.000 1.053 74 T CA 1.160 63.378 62.100 0.197 0.000 1.165 74 T CB -0.643 68.375 68.868 0.250 0.000 0.863 74 T HN 0.196 nan 8.240 nan 0.000 0.427 75 L N 0.355 121.665 121.223 0.145 0.000 1.989 75 L HA -0.207 4.154 4.340 0.034 0.000 0.211 75 L C 2.712 179.626 176.870 0.074 0.000 1.071 75 L CA 1.858 56.759 54.840 0.101 0.000 0.749 75 L CB -0.933 41.204 42.059 0.129 0.000 0.890 75 L HN 0.333 nan 8.230 nan 0.000 0.431 76 T N 0.502 115.120 114.554 0.107 0.000 2.653 76 T HA -0.257 4.114 4.350 0.034 0.000 0.268 76 T C 1.890 176.663 174.700 0.121 0.000 1.035 76 T CA 1.843 64.013 62.100 0.118 0.000 1.154 76 T CB -0.288 68.684 68.868 0.173 0.000 0.862 76 T HN 0.284 nan 8.240 nan 0.000 0.441 77 L N 0.709 122.005 121.223 0.120 0.000 2.141 77 L HA -0.099 4.262 4.340 0.034 0.000 0.209 77 L C 2.976 179.844 176.870 -0.003 0.000 1.094 77 L CA 0.994 55.865 54.840 0.051 0.000 0.763 77 L CB -0.512 41.547 42.059 -0.001 0.000 0.908 77 L HN 0.245 nan 8.230 nan 0.000 0.437 78 Q N -0.411 119.384 119.800 -0.009 0.000 2.119 78 Q HA -0.172 4.189 4.340 0.034 0.000 0.201 78 Q C 2.445 178.412 176.000 -0.056 0.000 0.972 78 Q CA 1.812 57.584 55.803 -0.051 0.000 0.847 78 Q CB -0.556 28.144 28.738 -0.063 0.000 0.903 78 Q HN 0.548 nan 8.270 nan 0.000 0.433 79 V N -0.139 119.759 119.914 -0.027 0.000 2.358 79 V HA -0.202 3.938 4.120 0.034 0.000 0.246 79 V C 2.092 178.170 176.094 -0.026 0.000 1.047 79 V CA 1.172 63.454 62.300 -0.031 0.000 1.035 79 V CB -0.472 31.341 31.823 -0.017 0.000 0.658 79 V HN 0.223 nan 8.190 nan 0.000 0.452 80 I N 1.091 121.660 120.570 -0.001 0.000 2.163 80 I HA -0.225 3.966 4.170 0.034 0.000 0.243 80 I C 2.953 179.052 176.117 -0.029 0.000 1.085 80 I CA 1.912 63.213 61.300 0.001 0.000 1.347 80 I CB -0.794 37.230 38.000 0.039 0.000 1.044 80 I HN 0.442 nan 8.210 nan 0.000 0.408 81 A N 0.668 123.460 122.820 -0.047 0.000 1.883 81 A HA -0.237 4.103 4.320 0.034 0.000 0.217 81 A C 2.534 180.070 177.584 -0.080 0.000 1.186 81 A CA 2.144 54.140 52.037 -0.069 0.000 0.624 81 A CB -0.991 17.957 19.000 -0.087 0.000 0.822 81 A HN 0.463 nan 8.150 nan 0.000 0.444 82 A N -0.330 122.435 122.820 -0.092 0.000 1.902 82 A HA 0.152 4.493 4.320 0.034 0.000 0.217 82 A C 2.506 180.043 177.584 -0.079 0.000 1.181 82 A CA 2.177 54.149 52.037 -0.108 0.000 0.623 82 A CB -0.995 17.931 19.000 -0.123 0.000 0.818 82 A HN 1.087 nan 8.150 nan 0.000 0.443 83 A N -0.735 122.050 122.820 -0.059 0.000 1.873 83 A HA -0.202 4.139 4.320 0.034 0.000 0.215 83 A C 2.128 179.687 177.584 -0.041 0.000 1.186 83 A CA 1.611 53.622 52.037 -0.044 0.000 0.616 83 A CB -0.580 18.401 19.000 -0.032 0.000 0.823 83 A HN 0.643 nan 8.150 nan 0.000 0.442 84 Q N -1.199 118.576 119.800 -0.041 0.000 2.124 84 Q HA -0.171 4.189 4.340 0.034 0.000 0.202 84 Q C 2.279 178.253 176.000 -0.043 0.000 0.977 84 Q CA 1.480 57.260 55.803 -0.037 0.000 0.850 84 Q CB -0.154 28.562 28.738 -0.037 0.000 0.901 84 Q HN 0.565 nan 8.270 nan 0.000 0.429 85 R N 1.126 121.593 120.500 -0.055 0.000 2.200 85 R HA -0.129 4.232 4.340 0.034 0.000 0.234 85 R C 0.812 177.081 176.300 -0.052 0.000 1.127 85 R CA 1.129 57.193 56.100 -0.060 0.000 0.989 85 R CB 0.191 30.442 30.300 -0.082 0.000 0.869 85 R HN 0.267 nan 8.270 nan 0.000 0.459 86 E N -1.594 118.577 120.200 -0.048 0.000 2.451 86 E HA 0.169 4.539 4.350 0.034 0.000 0.194 86 E C 0.417 176.999 176.600 -0.030 0.000 1.027 86 E CA 0.339 56.715 56.400 -0.039 0.000 0.914 86 E CB 0.922 30.599 29.700 -0.040 0.000 1.054 86 E HN 0.481 nan 8.360 nan 0.000 0.461 87 G N 2.202 110.984 108.800 -0.029 0.000 2.143 87 G HA2 -0.311 3.669 3.960 0.034 0.000 0.249 87 G HA3 -0.311 3.669 3.960 0.034 0.000 0.249 87 G C 0.200 175.088 174.900 -0.020 0.000 0.981 87 G CA 0.169 45.255 45.100 -0.023 0.000 0.665 87 G HN 0.166 nan 8.290 nan 0.000 0.528 88 K N 0.306 120.692 120.400 -0.022 0.000 2.126 88 K HA 0.519 4.859 4.320 0.034 0.000 0.257 88 K C 0.050 176.640 176.600 -0.017 0.000 1.007 88 K CA 0.019 56.294 56.287 -0.019 0.000 0.928 88 K CB 0.699 33.186 32.500 -0.021 0.000 1.013 88 K HN 0.095 nan 8.250 nan 0.000 0.473 89 T N 1.323 115.869 114.554 -0.013 0.000 2.794 89 T HA 0.329 4.699 4.350 0.034 0.000 0.280 89 T C -0.509 174.186 174.700 -0.008 0.000 0.987 89 T CA -0.546 61.548 62.100 -0.010 0.000 0.993 89 T CB 0.425 69.288 68.868 -0.008 0.000 0.939 89 T HN 0.533 nan 8.240 nan 0.000 0.449 90 C N 2.395 121.695 119.300 -0.001 0.000 2.614 90 C HA 0.978 5.459 4.460 0.034 0.000 0.320 90 C C 0.287 175.290 174.990 0.021 0.000 1.200 90 C CA -0.901 58.121 59.018 0.007 0.000 1.700 90 C CB 0.969 28.720 27.740 0.018 0.000 2.275 90 C HN 1.037 nan 8.230 nan 0.000 0.492 91 A N 1.207 124.039 122.820 0.021 0.000 2.435 91 A HA 0.874 5.215 4.320 0.034 0.000 0.304 91 A C -1.487 176.137 177.584 0.067 0.000 1.064 91 A CA -0.268 51.791 52.037 0.036 0.000 0.727 91 A CB 1.058 20.054 19.000 -0.007 0.000 1.284 91 A HN 0.826 nan 8.150 nan 0.000 0.415 92 F N 3.105 123.021 119.950 -0.057 0.000 2.499 92 F HA 0.563 5.110 4.527 0.035 0.000 0.333 92 F C -0.804 174.954 175.800 -0.070 0.000 1.138 92 F CA -0.815 57.148 58.000 -0.061 0.000 0.945 92 F CB 1.350 40.323 39.000 -0.045 0.000 1.181 92 F HN 0.369 nan 8.300 nan 0.000 0.435 93 I N 4.876 125.247 120.570 -0.331 0.000 2.310 93 I HA 0.121 4.311 4.170 0.034 0.000 0.287 93 I C -0.124 175.870 176.117 -0.206 0.000 1.073 93 I CA -0.371 60.812 61.300 -0.195 0.000 1.216 93 I CB 0.506 38.382 38.000 -0.207 0.000 1.415 93 I HN 0.508 nan 8.210 nan 0.000 0.480 94 D N 5.349 125.769 120.400 0.033 0.000 2.619 94 D HA 0.321 4.982 4.640 0.034 0.000 0.224 94 D C 1.257 177.496 176.300 -0.102 0.000 1.133 94 D CA -0.035 54.027 54.000 0.104 0.000 1.017 94 D CB 0.775 41.693 40.800 0.197 0.000 1.077 94 D HN 0.590 nan 8.370 nan 0.000 0.503 95 A N 2.399 125.188 122.820 -0.051 0.000 2.014 95 A HA -0.101 4.239 4.320 0.034 0.000 0.218 95 A C 1.919 179.630 177.584 0.212 0.000 1.163 95 A CA 0.742 52.797 52.037 0.030 0.000 0.652 95 A CB -0.204 18.826 19.000 0.049 0.000 0.808 95 A HN 0.515 nan 8.150 nan 0.000 0.449 96 E N -1.039 119.247 120.200 0.144 0.000 2.427 96 E HA -0.072 4.298 4.350 0.034 0.000 0.196 96 E C -0.550 176.232 176.600 0.303 0.000 1.028 96 E CA 0.011 56.520 56.400 0.182 0.000 0.864 96 E CB -0.151 29.575 29.700 0.044 0.000 0.813 96 E HN 0.692 nan 8.360 nan 0.000 0.514 97 H N -1.913 117.225 119.070 0.113 0.000 2.677 97 H HA -0.205 4.372 4.556 0.034 0.000 0.321 97 H C -0.120 175.263 175.328 0.091 0.000 1.171 97 H CA 0.531 56.640 56.048 0.102 0.000 1.139 97 H CB -1.306 28.516 29.762 0.100 0.000 1.515 97 H HN 0.236 nan 8.280 nan 0.000 0.423 98 A N 0.669 123.577 122.820 0.148 0.000 2.538 98 A HA 0.251 4.591 4.320 0.034 0.000 0.276 98 A C 0.190 177.807 177.584 0.055 0.000 0.908 98 A CA -0.458 51.639 52.037 0.101 0.000 1.042 98 A CB 0.665 19.722 19.000 0.095 0.000 1.218 98 A HN 0.145 nan 8.150 nan 0.000 0.517 99 L N 1.208 122.452 121.223 0.036 0.000 2.360 99 L HA 0.473 4.833 4.340 0.034 0.000 0.276 99 L C -0.540 176.306 176.870 -0.041 0.000 1.121 99 L CA 0.085 54.895 54.840 -0.049 0.000 0.845 99 L CB 0.721 42.677 42.059 -0.172 0.000 1.143 99 L HN 0.223 nan 8.230 nan 0.000 0.452 100 D N 7.353 127.738 120.400 -0.025 0.000 2.428 100 D HA 0.296 4.957 4.640 0.034 0.000 0.221 100 D C -1.786 174.520 176.300 0.011 0.000 1.123 100 D CA -2.221 51.784 54.000 0.008 0.000 0.869 100 D CB 1.463 42.282 40.800 0.031 0.000 1.032 100 D HN 0.353 nan 8.370 nan 0.000 0.506 101 P HA -0.160 nan 4.420 nan 0.000 0.215 101 P C 1.700 178.991 177.300 -0.015 0.000 1.153 101 P CA 0.608 63.683 63.100 -0.040 0.000 0.853 101 P CB 0.536 32.215 31.700 -0.035 0.000 0.788 102 I N -1.554 119.025 120.570 0.016 0.000 2.208 102 I HA -0.254 3.937 4.170 0.034 0.000 0.245 102 I C 2.679 178.830 176.117 0.056 0.000 1.097 102 I CA 1.484 62.801 61.300 0.029 0.000 1.363 102 I CB -1.171 36.853 38.000 0.040 0.000 1.051 102 I HN -0.140 nan 8.210 nan 0.000 0.413 103 Y N 1.068 121.344 120.300 -0.040 0.000 2.200 103 Y HA -0.226 4.345 4.550 0.034 0.000 0.290 103 Y C 2.469 178.343 175.900 -0.043 0.000 1.137 103 Y CA 1.283 59.363 58.100 -0.033 0.000 1.163 103 Y CB -0.617 37.824 38.460 -0.033 0.000 0.988 103 Y HN 0.143 nan 8.280 nan 0.000 0.518 104 A N 0.572 123.354 122.820 -0.062 0.000 1.917 104 A HA -0.253 4.087 4.320 0.034 0.000 0.219 104 A C 2.433 179.914 177.584 -0.171 0.000 1.182 104 A CA 1.933 53.878 52.037 -0.153 0.000 0.633 104 A CB -0.794 18.117 19.000 -0.148 0.000 0.819 104 A HN 0.478 nan 8.150 nan 0.000 0.448 105 R N -0.170 120.256 120.500 -0.122 0.000 2.081 105 R HA -0.132 4.228 4.340 0.034 0.000 0.235 105 R C 2.085 178.307 176.300 -0.130 0.000 1.131 105 R CA 1.815 57.853 56.100 -0.103 0.000 0.960 105 R CB -0.278 29.984 30.300 -0.063 0.000 0.856 105 R HN 0.568 nan 8.270 nan 0.000 0.436 106 K N 0.286 120.583 120.400 -0.170 0.000 2.152 106 K HA -0.097 4.244 4.320 0.034 0.000 0.206 106 K C 1.797 178.258 176.600 -0.231 0.000 1.048 106 K CA 1.025 57.201 56.287 -0.186 0.000 0.933 106 K CB -0.075 32.304 32.500 -0.200 0.000 0.721 106 K HN 0.239 nan 8.250 nan 0.000 0.447 107 L N 0.015 121.044 121.223 -0.323 0.000 2.650 107 L HA 0.074 4.434 4.340 0.034 0.000 0.235 107 L C 1.001 177.777 176.870 -0.157 0.000 1.149 107 L CA 0.339 55.028 54.840 -0.252 0.000 0.887 107 L CB -0.311 41.575 42.059 -0.288 0.000 1.021 107 L HN 0.423 nan 8.230 nan 0.000 0.441 108 G N -0.090 108.629 108.800 -0.134 0.000 2.141 108 G HA2 -0.243 3.738 3.960 0.034 0.000 0.242 108 G HA3 -0.243 3.738 3.960 0.034 0.000 0.242 108 G C 0.211 175.055 174.900 -0.092 0.000 0.982 108 G CA -0.034 45.005 45.100 -0.101 0.000 0.662 108 G HN 0.119 nan 8.290 nan 0.000 0.527 109 V N 1.118 120.972 119.914 -0.100 0.000 2.614 109 V HA 0.324 4.465 4.120 0.034 0.000 0.291 109 V C 0.781 176.834 176.094 -0.069 0.000 1.049 109 V CA 0.037 62.287 62.300 -0.083 0.000 1.038 109 V CB 1.640 33.406 31.823 -0.094 0.000 0.980 109 V HN 0.352 nan 8.190 nan 0.000 0.481 110 D N 4.522 124.889 120.400 -0.055 0.000 2.455 110 D HA 0.073 4.734 4.640 0.034 0.000 0.234 110 D C 1.113 177.388 176.300 -0.042 0.000 1.224 110 D CA -0.251 53.722 54.000 -0.045 0.000 0.999 110 D CB 0.314 41.092 40.800 -0.037 0.000 1.072 110 D HN 0.292 nan 8.370 nan 0.000 0.514 111 I N 2.404 122.946 120.570 -0.047 0.000 2.194 111 I HA -0.259 3.932 4.170 0.034 0.000 0.246 111 I C 1.557 177.655 176.117 -0.032 0.000 1.093 111 I CA 1.176 62.448 61.300 -0.047 0.000 1.355 111 I CB -0.559 37.413 38.000 -0.046 0.000 1.046 111 I HN 0.384 nan 8.210 nan 0.000 0.413 112 D N 0.278 120.663 120.400 -0.026 0.000 2.312 112 D HA -0.094 4.566 4.640 0.034 0.000 0.211 112 D C 1.409 177.701 176.300 -0.014 0.000 0.964 112 D CA 0.720 54.709 54.000 -0.018 0.000 0.877 112 D CB -0.115 40.676 40.800 -0.016 0.000 0.924 112 D HN 0.402 nan 8.370 nan 0.000 0.515 113 N N -0.022 118.669 118.700 -0.016 0.000 2.171 113 N HA 0.045 4.806 4.740 0.034 0.000 0.212 113 N C 0.089 175.595 175.510 -0.007 0.000 1.184 113 N CA -0.176 52.867 53.050 -0.011 0.000 0.888 113 N CB 1.499 39.978 38.487 -0.013 0.000 1.038 113 N HN 0.168 nan 8.380 nan 0.000 0.517 114 L N 2.631 123.848 121.223 -0.009 0.000 2.325 114 L HA 0.310 4.670 4.340 0.034 0.000 0.284 114 L C -0.259 176.620 176.870 0.014 0.000 1.089 114 L CA -0.177 54.665 54.840 0.002 0.000 0.836 114 L CB 0.312 42.363 42.059 -0.014 0.000 1.184 114 L HN -0.063 nan 8.230 nan 0.000 0.444 115 L N 5.239 126.477 121.223 0.025 0.000 2.453 115 L HA 0.118 4.479 4.340 0.034 0.000 0.272 115 L C 0.059 176.962 176.870 0.056 0.000 1.182 115 L CA 0.151 55.009 54.840 0.030 0.000 0.858 115 L CB 0.942 43.015 42.059 0.022 0.000 1.120 115 L HN 0.665 nan 8.230 nan 0.000 0.474 116 C N 2.881 122.209 119.300 0.047 0.000 2.686 116 C HA 0.698 5.179 4.460 0.034 0.000 0.318 116 C C -0.296 174.719 174.990 0.041 0.000 1.160 116 C CA -0.354 58.706 59.018 0.071 0.000 1.396 116 C CB 1.732 29.499 27.740 0.045 0.000 1.924 116 C HN 0.826 nan 8.230 nan 0.000 0.471 117 S N 3.625 119.349 115.700 0.039 0.000 2.575 117 S HA 0.554 5.045 4.470 0.034 0.000 0.278 117 S C -1.380 173.190 174.600 -0.051 0.000 1.139 117 S CA -0.298 57.897 58.200 -0.010 0.000 0.954 117 S CB 1.424 64.605 63.200 -0.032 0.000 1.054 117 S HN 0.841 nan 8.310 nan 0.000 0.483 118 Q N 4.455 124.203 119.800 -0.086 0.000 2.560 118 Q HA 0.343 4.704 4.340 0.034 0.000 0.238 118 Q C -2.358 173.586 176.000 -0.093 0.000 1.079 118 Q CA -1.896 53.773 55.803 -0.225 0.000 0.866 118 Q CB 1.388 29.936 28.738 -0.317 0.000 1.153 118 Q HN 0.515 nan 8.270 nan 0.000 0.530 119 P HA 0.080 nan 4.420 nan 0.000 0.274 119 P C -0.287 177.049 177.300 0.060 0.000 1.237 119 P CA -0.199 62.875 63.100 -0.043 0.000 0.793 119 P CB 1.387 33.021 31.700 -0.109 0.000 0.977 120 D N -0.704 119.710 120.400 0.023 0.000 2.162 120 D HA -0.012 4.648 4.640 0.034 0.000 0.205 120 D C 0.989 177.313 176.300 0.039 0.000 0.964 120 D CA 1.510 55.545 54.000 0.057 0.000 0.847 120 D CB -0.048 40.779 40.800 0.045 0.000 0.988 120 D HN 0.533 nan 8.370 nan 0.000 0.480 121 T N -3.716 110.837 114.554 -0.002 0.000 2.916 121 T HA 0.549 4.919 4.350 0.034 0.000 0.292 121 T C 1.340 176.028 174.700 -0.020 0.000 1.064 121 T CA -0.389 61.709 62.100 -0.004 0.000 1.011 121 T CB 1.899 70.764 68.868 -0.006 0.000 1.152 121 T HN -0.065 nan 8.240 nan 0.000 0.510 122 G N 0.350 109.146 108.800 -0.006 0.000 2.418 122 G HA2 -0.131 3.850 3.960 0.034 0.000 0.217 122 G HA3 -0.131 3.850 3.960 0.034 0.000 0.217 122 G C 1.076 175.961 174.900 -0.026 0.000 1.158 122 G CA 0.833 45.928 45.100 -0.007 0.000 0.771 122 G HN 0.817 nan 8.290 nan 0.000 0.545 123 E N -0.057 120.128 120.200 -0.026 0.000 2.077 123 E HA -0.129 4.241 4.350 0.034 0.000 0.193 123 E C 2.417 178.979 176.600 -0.064 0.000 0.989 123 E CA 1.257 57.645 56.400 -0.021 0.000 0.800 123 E CB -0.236 29.467 29.700 0.005 0.000 0.746 123 E HN 0.631 nan 8.360 nan 0.000 0.452 124 Q N 0.268 119.986 119.800 -0.137 0.000 2.061 124 Q HA -0.217 4.144 4.340 0.034 0.000 0.204 124 Q C 2.171 177.958 176.000 -0.355 0.000 0.984 124 Q CA 1.652 57.216 55.803 -0.398 0.000 0.846 124 Q CB -0.221 28.245 28.738 -0.452 0.000 0.902 124 Q HN 0.305 nan 8.270 nan 0.000 0.421 125 A N 0.779 123.483 122.820 -0.194 0.000 1.892 125 A HA -0.204 4.136 4.320 0.034 0.000 0.218 125 A C 2.042 179.570 177.584 -0.094 0.000 1.188 125 A CA 1.653 53.611 52.037 -0.132 0.000 0.631 125 A CB -0.781 18.183 19.000 -0.060 0.000 0.822 125 A HN 0.473 nan 8.150 nan 0.000 0.447 126 L N -1.181 120.012 121.223 -0.050 0.000 2.179 126 L HA -0.070 4.291 4.340 0.034 0.000 0.208 126 L C 2.554 179.418 176.870 -0.010 0.000 1.096 126 L CA 0.803 55.642 54.840 -0.002 0.000 0.779 126 L CB -0.408 41.666 42.059 0.026 0.000 0.922 126 L HN 0.274 nan 8.230 nan 0.000 0.443 127 E N 0.481 120.666 120.200 -0.025 0.000 2.106 127 E HA -0.149 4.222 4.350 0.034 0.000 0.192 127 E C 2.276 178.903 176.600 0.045 0.000 0.984 127 E CA 1.142 57.569 56.400 0.045 0.000 0.806 127 E CB -0.028 29.767 29.700 0.158 0.000 0.750 127 E HN 0.500 nan 8.360 nan 0.000 0.458 128 I N 0.081 120.618 120.570 -0.056 0.000 2.252 128 I HA -0.311 3.880 4.170 0.034 0.000 0.245 128 I C 2.501 178.606 176.117 -0.019 0.000 1.102 128 I CA 0.604 61.886 61.300 -0.030 0.000 1.385 128 I CB -0.248 37.686 38.000 -0.110 0.000 1.064 128 I HN 0.124 nan 8.210 nan 0.000 0.414 129 C N 0.487 119.760 119.300 -0.045 0.000 2.398 129 C HA -0.240 4.241 4.460 0.034 0.000 0.276 129 C C 2.578 177.555 174.990 -0.021 0.000 1.222 129 C CA 1.402 60.389 59.018 -0.052 0.000 1.746 129 C CB -1.000 26.700 27.740 -0.066 0.000 2.039 129 C HN 0.541 nan 8.230 nan 0.000 0.470 130 D N 0.327 120.729 120.400 0.003 0.000 2.097 130 D HA -0.085 4.575 4.640 0.034 0.000 0.195 130 D C 2.210 178.523 176.300 0.022 0.000 0.989 130 D CA 1.706 55.715 54.000 0.015 0.000 0.827 130 D CB -0.254 40.563 40.800 0.028 0.000 0.966 130 D HN 0.408 nan 8.370 nan 0.000 0.456 131 A N 0.012 122.856 122.820 0.039 0.000 1.902 131 A HA -0.120 4.221 4.320 0.034 0.000 0.217 131 A C 2.426 180.026 177.584 0.026 0.000 1.181 131 A CA 1.115 53.179 52.037 0.046 0.000 0.623 131 A CB -0.785 18.265 19.000 0.084 0.000 0.818 131 A HN 0.344 nan 8.150 nan 0.000 0.443 132 L N -1.000 120.231 121.223 0.014 0.000 2.056 132 L HA -0.145 4.215 4.340 0.034 0.000 0.207 132 L C 3.124 179.991 176.870 -0.005 0.000 1.078 132 L CA 0.909 55.749 54.840 0.001 0.000 0.749 132 L CB -0.620 41.430 42.059 -0.014 0.000 0.901 132 L HN 0.438 nan 8.230 nan 0.000 0.433 133 A N 0.318 123.133 122.820 -0.009 0.000 1.865 133 A HA -0.233 4.107 4.320 0.034 0.000 0.217 133 A C 2.380 179.964 177.584 0.000 0.000 1.191 133 A CA 1.658 53.690 52.037 -0.009 0.000 0.623 133 A CB -0.579 18.416 19.000 -0.009 0.000 0.826 133 A HN 0.300 nan 8.150 nan 0.000 0.444 134 R N 0.097 120.601 120.500 0.006 0.000 2.152 134 R HA -0.121 4.240 4.340 0.034 0.000 0.232 134 R C 2.546 178.850 176.300 0.008 0.000 1.117 134 R CA 1.494 57.600 56.100 0.009 0.000 0.981 134 R CB -0.378 29.929 30.300 0.013 0.000 0.870 134 R HN 0.767 nan 8.270 nan 0.000 0.451 135 S N -0.657 115.047 115.700 0.007 0.000 2.402 135 S HA -0.052 4.439 4.470 0.034 0.000 0.229 135 S C 1.640 176.242 174.600 0.003 0.000 1.021 135 S CA 0.991 59.194 58.200 0.006 0.000 0.974 135 S CB -0.077 63.127 63.200 0.008 0.000 0.800 135 S HN 0.504 nan 8.310 nan 0.000 0.484 136 G N 0.583 109.383 108.800 0.001 0.000 2.155 136 G HA2 -0.174 3.807 3.960 0.034 0.000 0.257 136 G HA3 -0.174 3.807 3.960 0.034 0.000 0.257 136 G C 0.659 175.558 174.900 -0.002 0.000 0.983 136 G CA 0.235 45.335 45.100 -0.000 0.000 0.676 136 G HN 1.452 nan 8.290 nan 0.000 0.528 137 A N -1.154 121.665 122.820 -0.002 0.000 2.343 137 A HA 0.702 5.043 4.320 0.034 0.000 0.223 137 A C 0.791 178.372 177.584 -0.005 0.000 1.214 137 A CA 1.041 53.076 52.037 -0.003 0.000 0.900 137 A CB 0.750 19.750 19.000 -0.000 0.000 0.942 137 A HN 0.968 nan 8.150 nan 0.000 0.507 138 V N 0.724 120.633 119.914 -0.008 0.000 2.513 138 V HA 0.260 4.401 4.120 0.034 0.000 0.299 138 V C 0.073 176.157 176.094 -0.017 0.000 1.035 138 V CA -0.533 61.759 62.300 -0.012 0.000 0.889 138 V CB 1.713 33.527 31.823 -0.016 0.000 0.988 138 V HN 0.381 nan 8.190 nan 0.000 0.440 139 D N 1.742 122.132 120.400 -0.018 0.000 2.338 139 D HA 0.087 4.748 4.640 0.034 0.000 0.224 139 D C 0.333 176.617 176.300 -0.027 0.000 0.967 139 D CA 1.206 55.195 54.000 -0.019 0.000 0.896 139 D CB 1.568 42.358 40.800 -0.017 0.000 1.028 139 D HN 0.402 nan 8.370 nan 0.000 0.493 140 V N 0.824 120.720 119.914 -0.030 0.000 2.709 140 V HA 0.510 4.651 4.120 0.034 0.000 0.308 140 V C -1.531 174.529 176.094 -0.056 0.000 1.062 140 V CA -0.715 61.559 62.300 -0.043 0.000 0.901 140 V CB 2.152 33.954 31.823 -0.034 0.000 1.003 140 V HN -0.095 nan 8.190 nan 0.000 0.425 141 I N 6.571 127.081 120.570 -0.099 0.000 2.465 141 I HA 0.633 4.824 4.170 0.034 0.000 0.291 141 I C -0.555 175.425 176.117 -0.228 0.000 1.014 141 I CA -1.042 60.171 61.300 -0.146 0.000 1.093 141 I CB 2.021 39.919 38.000 -0.169 0.000 1.267 141 I HN 0.631 nan 8.210 nan 0.000 0.431 142 V N 7.142 126.888 119.914 -0.280 0.000 2.495 142 V HA 0.575 4.716 4.120 0.034 0.000 0.298 142 V C -0.805 174.927 176.094 -0.604 0.000 1.031 142 V CA -0.357 61.693 62.300 -0.416 0.000 0.871 142 V CB 2.008 33.638 31.823 -0.322 0.000 0.988 142 V HN 0.443 nan 8.190 nan 0.000 0.432 143 V N 5.923 125.518 119.914 -0.531 0.000 2.333 143 V HA 0.393 4.534 4.120 0.034 0.000 0.274 143 V C -0.031 175.881 176.094 -0.303 0.000 1.028 143 V CA -0.349 61.703 62.300 -0.413 0.000 0.851 143 V CB 1.207 32.845 31.823 -0.309 0.000 1.000 143 V HN 0.957 nan 8.190 nan 0.000 0.456 144 D N 3.673 123.853 120.400 -0.366 0.000 2.393 144 D HA 0.301 4.962 4.640 0.034 0.000 0.232 144 D C 0.006 176.278 176.300 -0.047 0.000 1.192 144 D CA 0.644 54.538 54.000 -0.177 0.000 0.882 144 D CB 0.751 41.504 40.800 -0.079 0.000 1.038 144 D HN 0.634 nan 8.370 nan 0.000 0.499 145 S N 1.261 116.953 115.700 -0.014 0.000 3.080 145 S HA -0.161 4.330 4.470 0.034 0.000 0.790 145 S C 1.081 175.696 174.600 0.024 0.000 0.736 145 S CA 0.304 58.493 58.200 -0.017 0.000 1.493 145 S CB -0.845 62.308 63.200 -0.078 0.000 1.047 145 S HN 0.495 nan 8.310 nan 0.000 0.709 146 V N 2.803 122.740 119.914 0.037 0.000 2.626 146 V HA 0.063 4.204 4.120 0.034 0.000 0.252 146 V C 2.227 178.313 176.094 -0.013 0.000 1.067 146 V CA 2.354 64.661 62.300 0.012 0.000 1.081 146 V CB -0.881 30.890 31.823 -0.087 0.000 0.686 146 V HN 1.438 nan 8.190 nan 0.000 0.468 147 A N 0.520 123.318 122.820 -0.038 0.000 2.024 147 A HA 0.136 4.477 4.320 0.034 0.000 0.220 147 A C 2.332 179.974 177.584 0.096 0.000 1.164 147 A CA 1.981 54.009 52.037 -0.016 0.000 0.643 147 A CB -0.807 18.130 19.000 -0.105 0.000 0.806 147 A HN 1.149 nan 8.150 nan 0.000 0.451 148 A N -1.428 121.451 122.820 0.098 0.000 2.275 148 A HA 0.441 4.782 4.320 0.034 0.000 0.212 148 A C 0.421 178.083 177.584 0.129 0.000 1.201 148 A CA -0.107 52.044 52.037 0.190 0.000 0.843 148 A CB -0.127 18.985 19.000 0.187 0.000 0.873 148 A HN 0.269 nan 8.150 nan 0.000 0.492 149 L N 2.452 123.721 121.223 0.075 0.000 2.462 149 L HA 0.186 4.546 4.340 0.034 0.000 0.283 149 L C -0.053 176.839 176.870 0.036 0.000 1.166 149 L CA 0.730 55.599 54.840 0.049 0.000 0.964 149 L CB -0.614 41.462 42.059 0.029 0.000 1.294 149 L HN 0.091 nan 8.230 nan 0.000 0.449 150 T N 4.899 119.478 114.554 0.041 0.000 2.743 150 T HA 0.343 4.713 4.350 0.034 0.000 0.293 150 T C -2.271 172.429 174.700 0.001 0.000 0.945 150 T CA -1.394 60.720 62.100 0.024 0.000 1.030 150 T CB 0.938 69.823 68.868 0.029 0.000 0.912 150 T HN 0.207 nan 8.240 nan 0.000 0.483 151 P HA 0.045 nan 4.420 nan 0.000 0.266 151 P C 1.048 178.318 177.300 -0.051 0.000 1.193 151 P CA -0.326 62.752 63.100 -0.037 0.000 0.770 151 P CB 0.715 32.382 31.700 -0.055 0.000 0.836 152 K N 2.963 123.338 120.400 -0.042 0.000 2.074 152 K HA -0.235 4.106 4.320 0.034 0.000 0.209 152 K C 1.715 178.274 176.600 -0.068 0.000 1.048 152 K CA 2.002 58.268 56.287 -0.035 0.000 0.926 152 K CB -0.592 31.899 32.500 -0.014 0.000 0.713 152 K HN 0.483 nan 8.250 nan 0.000 0.444 153 A N 1.101 123.852 122.820 -0.114 0.000 1.933 153 A HA -0.212 4.128 4.320 0.034 0.000 0.218 153 A C 1.974 179.374 177.584 -0.307 0.000 1.175 153 A CA 1.853 53.777 52.037 -0.188 0.000 0.628 153 A CB -0.462 18.405 19.000 -0.222 0.000 0.814 153 A HN 0.594 nan 8.150 nan 0.000 0.444 154 E N -0.279 119.730 120.200 -0.318 0.000 2.072 154 E HA -0.133 4.238 4.350 0.034 0.000 0.191 154 E C 1.839 178.409 176.600 -0.049 0.000 0.985 154 E CA 1.057 57.315 56.400 -0.238 0.000 0.801 154 E CB -0.133 29.515 29.700 -0.088 0.000 0.750 154 E HN 0.509 nan 8.360 nan 0.000 0.452 155 I N 1.342 121.889 120.570 -0.039 0.000 2.208 155 I HA -0.250 3.940 4.170 0.034 0.000 0.245 155 I C 2.065 178.184 176.117 0.002 0.000 1.097 155 I CA 1.593 62.889 61.300 -0.007 0.000 1.363 155 I CB -0.829 37.169 38.000 -0.005 0.000 1.051 155 I HN 0.273 nan 8.210 nan 0.000 0.413 156 E N 0.329 120.524 120.200 -0.009 0.000 2.112 156 E HA -0.002 4.369 4.350 0.034 0.000 0.190 156 E C 1.368 177.982 176.600 0.022 0.000 0.979 156 E CA 0.492 56.894 56.400 0.004 0.000 0.814 156 E CB -0.154 29.544 29.700 -0.004 0.000 0.762 156 E HN 0.469 nan 8.360 nan 0.000 0.460 157 G N 0.927 109.748 108.800 0.035 0.000 2.580 157 G HA2 0.106 4.087 3.960 0.034 0.000 0.278 157 G HA3 0.106 4.087 3.960 0.034 0.000 0.278 157 G C -0.358 174.605 174.900 0.105 0.000 1.212 157 G CA -0.576 44.576 45.100 0.087 0.000 0.939 157 G HN -0.002 nan 8.290 nan 0.000 0.513 158 E N -0.935 119.328 120.200 0.106 0.000 2.374 158 E HA 0.181 4.552 4.350 0.034 0.000 0.260 158 E C -0.014 176.638 176.600 0.086 0.000 1.101 158 E CA -0.151 56.303 56.400 0.089 0.000 0.907 158 E CB 1.395 31.143 29.700 0.081 0.000 1.014 158 E HN 0.262 nan 8.360 nan 0.000 0.427 159 I N 0.820 121.431 120.570 0.068 0.000 2.529 159 I HA 0.169 4.359 4.170 0.034 0.000 0.284 159 I C 1.117 177.247 176.117 0.021 0.000 1.082 159 I CA 0.448 61.773 61.300 0.041 0.000 1.406 159 I CB 0.393 38.411 38.000 0.030 0.000 1.405 159 I HN 0.829 nan 8.210 nan 0.000 0.548 160 G N 3.468 112.262 108.800 -0.010 0.000 2.203 160 G HA2 -0.166 3.815 3.960 0.034 0.000 0.231 160 G HA3 -0.166 3.815 3.960 0.034 0.000 0.231 160 G C -0.530 174.330 174.900 -0.067 0.000 1.058 160 G CA -0.634 44.446 45.100 -0.032 0.000 0.781 160 G HN 0.633 nan 8.290 nan 0.000 0.496 161 D N 0.188 120.508 120.400 -0.134 0.000 2.342 161 D HA 0.585 5.246 4.640 0.034 0.000 0.243 161 D C 0.462 176.482 176.300 -0.466 0.000 1.019 161 D CA 0.106 53.934 54.000 -0.288 0.000 0.864 161 D CB 1.613 42.217 40.800 -0.327 0.000 1.315 161 D HN 0.303 nan 8.370 nan 0.000 0.468 162 S N 1.172 116.633 115.700 -0.398 0.000 2.642 162 S HA 0.192 4.683 4.470 0.034 0.000 0.309 162 S C -0.097 174.334 174.600 -0.282 0.000 1.125 162 S CA -0.735 57.304 58.200 -0.269 0.000 1.055 162 S CB -0.110 63.019 63.200 -0.119 0.000 1.157 162 S HN 0.302 nan 8.310 nan 0.000 0.513 163 H N 3.147 122.219 119.070 0.003 0.000 2.483 163 H HA 0.258 4.835 4.556 0.034 0.000 0.224 163 H C -0.013 175.316 175.328 0.001 0.000 1.690 163 H CA -0.780 55.270 56.048 0.002 0.000 1.217 163 H CB -0.096 29.667 29.762 0.002 0.000 1.619 163 H HN 0.477 nan 8.280 nan 0.000 0.528 164 M N 0.845 120.487 119.600 0.069 0.000 2.427 164 M HA 0.064 4.565 4.480 0.034 0.000 0.345 164 M C 1.201 177.527 176.300 0.043 0.000 1.653 164 M CA 0.507 55.831 55.300 0.040 0.000 1.138 164 M CB -0.413 32.198 32.600 0.020 0.000 1.995 164 M HN 0.838 nan 8.290 nan 0.000 0.459 165 G N 3.672 112.493 108.800 0.035 0.000 2.198 165 G HA2 -0.268 3.712 3.960 0.034 0.000 0.260 165 G HA3 -0.268 3.712 3.960 0.034 0.000 0.260 165 G C 0.658 175.571 174.900 0.022 0.000 1.025 165 G CA 0.414 45.527 45.100 0.023 0.000 0.769 165 G HN 0.669 nan 8.290 nan 0.000 0.507 166 L N 0.010 121.253 121.223 0.034 0.000 2.109 166 L HA 0.417 4.778 4.340 0.034 0.000 0.207 166 L C 2.956 179.826 176.870 -0.001 0.000 1.086 166 L CA 2.893 57.745 54.840 0.018 0.000 0.760 166 L CB -0.491 41.581 42.059 0.021 0.000 0.910 166 L HN 0.492 nan 8.230 nan 0.000 0.437 167 A N -0.762 122.059 122.820 0.001 0.000 1.930 167 A HA -0.083 4.258 4.320 0.034 0.000 0.217 167 A C 2.421 179.989 177.584 -0.028 0.000 1.175 167 A CA 1.521 53.550 52.037 -0.014 0.000 0.627 167 A CB -0.953 18.041 19.000 -0.010 0.000 0.815 167 A HN 0.485 nan 8.150 nan 0.000 0.443 168 A N 0.832 123.641 122.820 -0.019 0.000 1.877 168 A HA -0.185 4.155 4.320 0.034 0.000 0.216 168 A C 2.255 179.825 177.584 -0.023 0.000 1.186 168 A CA 1.838 53.861 52.037 -0.023 0.000 0.620 168 A CB -0.536 18.459 19.000 -0.007 0.000 0.822 168 A HN 0.699 nan 8.150 nan 0.000 0.443 169 R N -0.644 119.847 120.500 -0.014 0.000 2.148 169 R HA 0.010 4.370 4.340 0.034 0.000 0.227 169 R C 2.095 178.379 176.300 -0.026 0.000 1.103 169 R CA 1.565 57.656 56.100 -0.015 0.000 0.983 169 R CB -0.485 29.812 30.300 -0.006 0.000 0.874 169 R HN 0.538 nan 8.270 nan 0.000 0.451 170 M N 0.308 119.891 119.600 -0.030 0.000 2.099 170 M HA -0.109 4.392 4.480 0.034 0.000 0.262 170 M C 1.861 178.126 176.300 -0.058 0.000 1.067 170 M CA 1.546 56.824 55.300 -0.036 0.000 1.124 170 M CB 0.035 32.616 32.600 -0.031 0.000 1.353 170 M HN 0.225 nan 8.290 nan 0.000 0.410 171 M N -0.513 119.041 119.600 -0.078 0.000 2.117 171 M HA -0.174 4.327 4.480 0.034 0.000 0.262 171 M C 2.430 178.651 176.300 -0.133 0.000 1.065 171 M CA 1.528 56.750 55.300 -0.129 0.000 1.114 171 M CB -1.403 31.105 32.600 -0.154 0.000 1.361 171 M HN 0.381 nan 8.290 nan 0.000 0.408 172 S N -0.140 115.510 115.700 -0.083 0.000 2.368 172 S HA -0.201 4.289 4.470 0.034 0.000 0.225 172 S C 1.897 176.441 174.600 -0.093 0.000 1.030 172 S CA 1.469 59.630 58.200 -0.066 0.000 0.999 172 S CB -0.139 63.050 63.200 -0.018 0.000 0.844 172 S HN 0.536 nan 8.310 nan 0.000 0.459 173 Q N 0.032 119.790 119.800 -0.070 0.000 2.119 173 Q HA -0.054 4.307 4.340 0.034 0.000 0.201 173 Q C 2.195 178.143 176.000 -0.086 0.000 0.972 173 Q CA 1.276 57.043 55.803 -0.061 0.000 0.847 173 Q CB -0.370 28.347 28.738 -0.035 0.000 0.903 173 Q HN 0.625 nan 8.270 nan 0.000 0.433 174 A N 0.834 123.597 122.820 -0.096 0.000 1.883 174 A HA -0.212 4.129 4.320 0.034 0.000 0.217 174 A C 2.045 179.536 177.584 -0.154 0.000 1.186 174 A CA 1.654 53.639 52.037 -0.086 0.000 0.624 174 A CB -0.490 18.478 19.000 -0.053 0.000 0.822 174 A HN 0.389 nan 8.150 nan 0.000 0.444 175 M N -1.071 118.343 119.600 -0.309 0.000 2.086 175 M HA -0.122 4.379 4.480 0.034 0.000 0.261 175 M C 2.157 178.101 176.300 -0.594 0.000 1.067 175 M CA 1.728 56.655 55.300 -0.623 0.000 1.116 175 M CB -1.368 30.482 32.600 -1.250 0.000 1.348 175 M HN 0.455 nan 8.290 nan 0.000 0.407 176 R N 0.538 120.787 120.500 -0.420 0.000 2.133 176 R HA -0.213 4.148 4.340 0.034 0.000 0.245 176 R C 2.198 178.462 176.300 -0.059 0.000 1.137 176 R CA 2.192 58.217 56.100 -0.125 0.000 0.947 176 R CB -0.067 30.202 30.300 -0.052 0.000 0.865 176 R HN 0.396 nan 8.270 nan 0.000 0.437 177 K N -0.431 119.929 120.400 -0.067 0.000 2.098 177 K HA -0.011 4.330 4.320 0.034 0.000 0.203 177 K C 2.112 178.703 176.600 -0.015 0.000 1.051 177 K CA 0.938 57.211 56.287 -0.024 0.000 0.957 177 K CB -0.012 32.479 32.500 -0.016 0.000 0.738 177 K HN 0.140 nan 8.250 nan 0.000 0.447 178 L N 0.846 122.050 121.223 -0.032 0.000 2.056 178 L HA -0.138 4.223 4.340 0.034 0.000 0.207 178 L C 2.611 179.492 176.870 0.019 0.000 1.078 178 L CA 0.967 55.806 54.840 -0.002 0.000 0.749 178 L CB -0.603 41.466 42.059 0.016 0.000 0.901 178 L HN 0.204 nan 8.230 nan 0.000 0.433 179 A N 0.520 123.355 122.820 0.026 0.000 1.884 179 A HA -0.232 4.109 4.320 0.034 0.000 0.219 179 A C 2.378 180.009 177.584 0.078 0.000 1.197 179 A CA 2.185 54.281 52.037 0.098 0.000 0.637 179 A CB -1.437 17.693 19.000 0.216 0.000 0.827 179 A HN 0.463 nan 8.150 nan 0.000 0.450 180 G N -0.720 108.118 108.800 0.063 0.000 2.421 180 G HA2 -0.267 3.714 3.960 0.034 0.000 0.216 180 G HA3 -0.267 3.714 3.960 0.034 0.000 0.216 180 G C 1.451 176.371 174.900 0.033 0.000 1.171 180 G CA 1.083 46.212 45.100 0.048 0.000 0.775 180 G HN 0.718 nan 8.290 nan 0.000 0.543 181 N N -0.019 118.697 118.700 0.026 0.000 2.188 181 N HA -0.003 4.757 4.740 0.034 0.000 0.184 181 N C 2.215 177.735 175.510 0.016 0.000 1.018 181 N CA 0.514 53.575 53.050 0.018 0.000 0.858 181 N CB -0.144 38.351 38.487 0.014 0.000 0.989 181 N HN 0.232 nan 8.380 nan 0.000 0.426 182 L N 0.823 122.057 121.223 0.019 0.000 2.046 182 L HA -0.160 4.201 4.340 0.034 0.000 0.208 182 L C 2.436 179.317 176.870 0.018 0.000 1.077 182 L CA 1.003 55.852 54.840 0.015 0.000 0.747 182 L CB -0.292 41.779 42.059 0.020 0.000 0.896 182 L HN 0.108 nan 8.230 nan 0.000 0.432 183 K N 0.645 121.062 120.400 0.028 0.000 2.026 183 K HA -0.202 4.138 4.320 0.034 0.000 0.208 183 K C 2.032 178.643 176.600 0.018 0.000 1.048 183 K CA 1.622 57.925 56.287 0.026 0.000 0.929 183 K CB -0.214 32.307 32.500 0.034 0.000 0.713 183 K HN 0.209 nan 8.250 nan 0.000 0.439 184 Q N -0.475 119.336 119.800 0.018 0.000 2.488 184 Q HA 0.058 4.419 4.340 0.034 0.000 0.211 184 Q C 0.738 176.744 176.000 0.009 0.000 0.967 184 Q CA 1.126 56.937 55.803 0.013 0.000 0.926 184 Q CB 0.349 29.096 28.738 0.014 0.000 0.992 184 Q HN 0.271 nan 8.270 nan 0.000 0.506 185 S N -0.110 115.594 115.700 0.007 0.000 2.559 185 S HA 0.069 4.559 4.470 0.034 0.000 0.226 185 S C 0.229 174.830 174.600 0.001 0.000 1.000 185 S CA -0.228 57.974 58.200 0.003 0.000 0.948 185 S CB 0.352 63.552 63.200 0.001 0.000 0.870 185 S HN 0.395 nan 8.310 nan 0.000 0.497 186 N N 2.235 120.937 118.700 0.003 0.000 2.727 186 N HA -0.139 4.621 4.740 0.034 0.000 0.249 186 N C -1.217 174.291 175.510 -0.004 0.000 1.048 186 N CA 0.840 53.891 53.050 0.002 0.000 0.714 186 N CB -1.602 36.885 38.487 0.001 0.000 0.959 186 N HN 0.341 nan 8.380 nan 0.000 0.544 187 T N 0.793 115.344 114.554 -0.006 0.000 2.767 187 T HA 0.453 4.824 4.350 0.034 0.000 0.284 187 T C 0.219 174.907 174.700 -0.021 0.000 0.973 187 T CA -0.685 61.405 62.100 -0.017 0.000 0.996 187 T CB 1.575 70.430 68.868 -0.022 0.000 0.927 187 T HN 0.279 nan 8.240 nan 0.000 0.456 188 L N 4.611 125.817 121.223 -0.029 0.000 2.290 188 L HA 0.547 4.907 4.340 0.034 0.000 0.284 188 L C -0.859 175.967 176.870 -0.073 0.000 1.078 188 L CA -0.295 54.524 54.840 -0.035 0.000 0.815 188 L CB 0.327 42.369 42.059 -0.029 0.000 1.162 188 L HN 0.613 nan 8.230 nan 0.000 0.435 189 L N 6.966 128.135 121.223 -0.089 0.000 2.319 189 L HA 0.529 4.890 4.340 0.034 0.000 0.281 189 L C -0.975 175.766 176.870 -0.214 0.000 1.005 189 L CA -0.490 54.230 54.840 -0.199 0.000 0.828 189 L CB 1.264 43.184 42.059 -0.232 0.000 1.227 189 L HN 0.669 nan 8.230 nan 0.000 0.415 190 I N 4.550 124.964 120.570 -0.260 0.000 2.321 190 I HA 0.273 4.463 4.170 0.034 0.000 0.291 190 I C -0.822 175.115 176.117 -0.300 0.000 0.998 190 I CA -0.313 60.880 61.300 -0.178 0.000 1.227 190 I CB 1.278 39.221 38.000 -0.095 0.000 1.368 190 I HN 0.388 nan 8.210 nan 0.000 0.466 191 F N 6.593 126.521 119.950 -0.036 0.000 2.404 191 F HA 0.471 5.018 4.527 0.034 0.000 0.354 191 F C 0.400 176.187 175.800 -0.021 0.000 1.122 191 F CA -0.431 57.542 58.000 -0.044 0.000 1.080 191 F CB 0.999 39.984 39.000 -0.025 0.000 1.131 191 F HN 0.218 nan 8.300 nan 0.000 0.471 192 I N 3.510 124.163 120.570 0.137 0.000 2.428 192 I HA 0.205 4.396 4.170 0.034 0.000 0.289 192 I C -0.118 176.058 176.117 0.099 0.000 1.019 192 I CA -0.083 61.280 61.300 0.104 0.000 1.351 192 I CB 1.079 39.112 38.000 0.055 0.000 1.412 192 I HN 0.642 nan 8.210 nan 0.000 0.513 193 N N 3.963 122.721 118.700 0.096 0.000 2.312 193 N HA 0.399 5.160 4.740 0.034 0.000 0.296 193 N C -1.260 174.223 175.510 -0.046 0.000 1.193 193 N CA -0.696 52.364 53.050 0.017 0.000 0.773 193 N CB 1.766 40.267 38.487 0.023 0.000 1.435 193 N HN 0.542 nan 8.380 nan 0.000 0.484 194 Q N 0.738 120.388 119.800 -0.250 0.000 2.194 194 Q HA 0.517 4.878 4.340 0.034 0.000 0.245 194 Q C -0.701 175.097 176.000 -0.336 0.000 0.993 194 Q CA -0.686 54.763 55.803 -0.590 0.000 0.930 194 Q CB 2.056 30.033 28.738 -1.269 0.000 1.238 194 Q HN 0.469 nan 8.270 nan 0.000 0.486 195 I N 1.176 121.600 120.570 -0.243 0.000 2.412 195 I HA 0.398 4.588 4.170 0.034 0.000 0.296 195 I C -0.190 175.946 176.117 0.031 0.000 0.987 195 I CA -0.702 60.606 61.300 0.014 0.000 1.180 195 I CB 0.969 39.103 38.000 0.222 0.000 1.340 195 I HN 0.342 nan 8.210 nan 0.000 0.455 196 R N 4.752 125.255 120.500 0.004 0.000 2.888 196 R HA 0.610 4.970 4.340 0.034 0.000 0.266 196 R C -0.903 175.416 176.300 0.031 0.000 1.020 196 R CA -1.253 54.865 56.100 0.031 0.000 0.963 196 R CB 1.646 31.945 30.300 -0.003 0.000 1.197 196 R HN 0.364 nan 8.270 nan 0.000 0.481 197 M N 1.655 121.278 119.600 0.037 0.000 2.288 197 M HA 0.296 4.796 4.480 0.034 0.000 0.334 197 M C 0.155 176.465 176.300 0.017 0.000 1.150 197 M CA -0.426 54.891 55.300 0.028 0.000 1.118 197 M CB 0.633 33.250 32.600 0.028 0.000 1.501 197 M HN 0.306 nan 8.290 nan 0.000 0.462 198 K N 2.255 122.665 120.400 0.017 0.000 2.221 198 K HA 0.653 4.994 4.320 0.034 0.000 0.258 198 K C -1.085 175.530 176.600 0.024 0.000 0.944 198 K CA -0.520 55.779 56.287 0.020 0.000 0.823 198 K CB 1.190 33.704 32.500 0.024 0.000 1.113 198 K HN 0.595 nan 8.250 nan 0.000 0.431 199 I N 1.207 121.792 120.570 0.026 0.000 2.519 199 I HA 0.240 4.430 4.170 0.034 0.000 0.287 199 I C 0.989 177.132 176.117 0.043 0.000 1.047 199 I CA 0.276 61.590 61.300 0.024 0.000 1.381 199 I CB 1.102 39.114 38.000 0.020 0.000 1.417 199 I HN 1.052 nan 8.210 nan 0.000 0.540 200 G N 4.107 112.929 108.800 0.037 0.000 2.140 200 G HA2 -0.154 3.827 3.960 0.034 0.000 0.211 200 G HA3 -0.154 3.827 3.960 0.034 0.000 0.211 200 G C -0.310 174.681 174.900 0.151 0.000 1.013 200 G CA -0.325 44.825 45.100 0.083 0.000 0.705 200 G HN 0.484 nan 8.290 nan 0.000 0.508 201 V N 0.567 120.480 119.914 -0.000 0.000 2.327 201 V HA 0.555 4.696 4.120 0.034 0.000 0.272 201 V C 0.514 176.328 176.094 -0.467 0.000 1.019 201 V CA 0.049 62.318 62.300 -0.052 0.000 0.814 201 V CB 0.951 32.822 31.823 0.079 0.000 1.040 201 V HN 0.507 nan 8.190 nan 0.000 0.440 202 M N 2.849 121.641 119.600 -1.347 0.000 2.756 202 M HA 0.631 5.132 4.480 0.034 0.000 0.320 202 M C -0.699 175.097 176.300 -0.839 0.000 1.245 202 M CA 0.135 54.865 55.300 -0.951 0.000 0.972 202 M CB -0.099 32.092 32.600 -0.682 0.000 1.327 202 M HN 0.341 nan 8.290 nan 0.000 0.505 203 F N -1.391 118.566 119.950 0.011 0.000 3.055 203 F HA 0.796 5.344 4.527 0.035 0.000 0.358 203 F C 0.062 175.864 175.800 0.003 0.000 1.262 203 F CA -1.499 56.504 58.000 0.006 0.000 1.172 203 F CB -0.016 38.986 39.000 0.005 0.000 1.503 203 F HN 0.438 nan 8.300 nan 0.000 0.621 204 G N 1.823 110.731 108.800 0.179 0.000 2.746 204 G HA2 -0.199 3.781 3.960 0.034 0.000 0.685 204 G HA3 -0.199 3.781 3.960 0.034 0.000 0.685 204 G C -0.946 174.001 174.900 0.079 0.000 1.350 204 G CA -0.726 44.444 45.100 0.116 0.000 0.837 204 G HN 1.142 nan 8.290 nan 0.000 0.564 205 N N 1.398 120.131 118.700 0.056 0.000 2.434 205 N HA 0.254 5.015 4.740 0.034 0.000 0.268 205 N C -0.635 174.900 175.510 0.041 0.000 1.256 205 N CA -0.743 52.332 53.050 0.041 0.000 0.914 205 N CB 0.787 39.297 38.487 0.039 0.000 1.088 205 N HN 0.350 nan 8.380 nan 0.000 0.478 206 P HA 0.033 nan 4.420 nan 0.000 0.249 206 P C -0.598 176.716 177.300 0.023 0.000 1.229 206 P CA 0.571 63.687 63.100 0.026 0.000 0.788 206 P CB 0.312 32.018 31.700 0.011 0.000 1.072 207 E N 0.289 120.504 120.200 0.025 0.000 2.331 207 E HA 0.303 4.674 4.350 0.034 0.000 0.272 207 E C 0.047 176.632 176.600 -0.025 0.000 1.036 207 E CA 0.206 56.617 56.400 0.018 0.000 0.864 207 E CB 0.809 30.537 29.700 0.046 0.000 1.035 207 E HN 0.111 nan 8.360 nan 0.000 0.408 208 T N 0.265 114.788 114.554 -0.052 0.000 2.669 208 T HA 0.458 4.829 4.350 0.034 0.000 0.283 208 T C -0.355 174.243 174.700 -0.170 0.000 1.019 208 T CA -0.745 61.287 62.100 -0.112 0.000 1.039 208 T CB 1.763 70.586 68.868 -0.074 0.000 1.374 208 T HN 0.304 nan 8.240 nan 0.000 0.523 209 T N 0.920 115.355 114.554 -0.197 0.000 2.906 209 T HA 0.625 4.996 4.350 0.034 0.000 0.295 209 T C -0.577 174.034 174.700 -0.148 0.000 1.075 209 T CA -0.406 61.557 62.100 -0.228 0.000 1.005 209 T CB 1.638 70.295 68.868 -0.352 0.000 1.136 209 T HN 0.659 nan 8.240 nan 0.000 0.498 210 T N 1.038 115.509 114.554 -0.138 0.000 2.882 210 T HA 0.516 4.887 4.350 0.034 0.000 0.287 210 T C 1.230 175.871 174.700 -0.099 0.000 1.014 210 T CA 0.668 62.706 62.100 -0.103 0.000 1.049 210 T CB 0.827 69.635 68.868 -0.099 0.000 1.001 210 T HN 1.099 nan 8.240 nan 0.000 0.525 211 G N 0.261 109.016 108.800 -0.075 0.000 2.141 211 G HA2 0.209 4.190 3.960 0.034 0.000 0.242 211 G HA3 0.209 4.190 3.960 0.034 0.000 0.242 211 G C 0.674 175.531 174.900 -0.071 0.000 0.982 211 G CA 0.112 45.164 45.100 -0.080 0.000 0.662 211 G HN 1.725 nan 8.290 nan 0.000 0.527 212 G N -0.488 108.282 108.800 -0.051 0.000 2.615 212 G HA2 -0.083 3.898 3.960 0.034 0.000 0.218 212 G HA3 -0.083 3.898 3.960 0.034 0.000 0.218 212 G C 0.409 175.306 174.900 -0.005 0.000 1.339 212 G CA 0.510 45.597 45.100 -0.021 0.000 0.884 212 G HN 0.873 nan 8.290 nan 0.000 0.559 213 N N 0.289 119.021 118.700 0.053 0.000 2.388 213 N HA 0.221 4.982 4.740 0.034 0.000 0.176 213 N C 2.488 178.150 175.510 0.253 0.000 1.062 213 N CA 1.432 54.562 53.050 0.133 0.000 0.895 213 N CB -0.122 38.489 38.487 0.206 0.000 1.018 213 N HN 0.914 nan 8.380 nan 0.000 0.456 214 A N 1.590 124.529 122.820 0.199 0.000 1.873 214 A HA -0.161 4.180 4.320 0.034 0.000 0.218 214 A C 2.159 179.946 177.584 0.339 0.000 1.193 214 A CA 1.224 53.438 52.037 0.293 0.000 0.629 214 A CB -0.831 18.238 19.000 0.115 0.000 0.826 214 A HN 0.219 nan 8.150 nan 0.000 0.447 215 L N -0.094 121.189 121.223 0.100 0.000 2.079 215 L HA -0.181 4.179 4.340 0.034 0.000 0.210 215 L C 2.224 179.150 176.870 0.094 0.000 1.081 215 L CA 2.280 57.145 54.840 0.040 0.000 0.752 215 L CB -0.625 41.341 42.059 -0.155 0.000 0.896 215 L HN 0.393 nan 8.230 nan 0.000 0.433 216 K N -1.161 119.255 120.400 0.027 0.000 2.059 216 K HA -0.244 4.097 4.320 0.034 0.000 0.212 216 K C 2.040 178.563 176.600 -0.128 0.000 1.050 216 K CA 2.246 58.469 56.287 -0.106 0.000 0.927 216 K CB -0.472 31.854 32.500 -0.290 0.000 0.714 216 K HN 0.289 nan 8.250 nan 0.000 0.447 217 F N -0.869 119.104 119.950 0.038 0.000 2.163 217 F HA -0.122 4.426 4.527 0.035 0.000 0.297 217 F C 2.019 177.764 175.800 -0.091 0.000 1.094 217 F CA 1.064 59.034 58.000 -0.051 0.000 1.290 217 F CB -0.293 38.632 39.000 -0.124 0.000 1.017 217 F HN 0.020 nan 8.300 nan 0.000 0.483 218 Y N 0.007 120.419 120.300 0.187 0.000 2.475 218 Y HA 0.252 4.823 4.550 0.034 0.000 0.289 218 Y C 1.541 177.495 175.900 0.090 0.000 1.121 218 Y CA -0.108 58.065 58.100 0.120 0.000 1.257 218 Y CB -0.637 37.882 38.460 0.097 0.000 1.026 218 Y HN -0.122 nan 8.280 nan 0.000 0.555 219 A N -0.145 122.798 122.820 0.205 0.000 2.488 219 A HA 0.156 4.496 4.320 0.034 0.000 0.249 219 A C 1.271 178.906 177.584 0.085 0.000 1.083 219 A CA 0.326 52.449 52.037 0.143 0.000 0.768 219 A CB 0.210 19.279 19.000 0.116 0.000 1.017 219 A HN 0.321 nan 8.150 nan 0.000 0.496 220 S N 0.684 116.430 115.700 0.076 0.000 2.446 220 S HA 0.132 4.623 4.470 0.034 0.000 0.225 220 S C 0.447 175.056 174.600 0.015 0.000 1.016 220 S CA 0.638 58.861 58.200 0.038 0.000 0.943 220 S CB 0.035 63.258 63.200 0.039 0.000 0.786 220 S HN 0.570 nan 8.310 nan 0.000 0.508 221 V N 2.197 122.127 119.914 0.026 0.000 2.760 221 V HA 0.480 4.621 4.120 0.034 0.000 0.309 221 V C -0.763 175.349 176.094 0.031 0.000 1.077 221 V CA -0.884 61.421 62.300 0.008 0.000 0.910 221 V CB 2.103 33.930 31.823 0.007 0.000 1.008 221 V HN 0.131 nan 8.190 nan 0.000 0.424 222 R N 3.963 124.473 120.500 0.017 0.000 2.561 222 R HA 0.690 5.051 4.340 0.034 0.000 0.297 222 R C -1.892 174.408 176.300 0.001 0.000 0.969 222 R CA -0.902 55.234 56.100 0.061 0.000 0.879 222 R CB 2.292 32.669 30.300 0.128 0.000 1.178 222 R HN 0.348 nan 8.270 nan 0.000 0.445 223 L N 2.344 123.538 121.223 -0.049 0.000 2.333 223 L HA 0.292 4.652 4.340 0.034 0.000 0.280 223 L C -0.339 176.270 176.870 -0.435 0.000 1.004 223 L CA -0.561 54.193 54.840 -0.143 0.000 0.820 223 L CB 1.523 43.547 42.059 -0.060 0.000 1.247 223 L HN 0.494 nan 8.230 nan 0.000 0.416 224 D N 4.331 124.457 120.400 -0.457 0.000 2.412 224 D HA 0.266 4.927 4.640 0.034 0.000 0.224 224 D C -0.696 175.449 176.300 -0.259 0.000 1.093 224 D CA -0.187 53.435 54.000 -0.630 0.000 0.850 224 D CB 0.934 41.488 40.800 -0.410 0.000 1.046 224 D HN 0.460 nan 8.370 nan 0.000 0.507 225 I N 3.425 123.880 120.570 -0.192 0.000 2.412 225 I HA 0.484 4.675 4.170 0.034 0.000 0.296 225 I C -0.717 175.383 176.117 -0.028 0.000 0.987 225 I CA -0.673 60.588 61.300 -0.064 0.000 1.180 225 I CB 0.683 38.689 38.000 0.009 0.000 1.340 225 I HN 0.255 nan 8.210 nan 0.000 0.455 226 R N 5.618 126.095 120.500 -0.038 0.000 2.604 226 R HA 0.385 4.746 4.340 0.034 0.000 0.281 226 R C -1.091 175.189 176.300 -0.032 0.000 1.020 226 R CA -0.909 55.182 56.100 -0.015 0.000 0.899 226 R CB 2.063 32.355 30.300 -0.013 0.000 1.205 226 R HN 0.566 nan 8.270 nan 0.000 0.450 227 R N 4.115 124.619 120.500 0.006 0.000 2.267 227 R HA 0.181 4.542 4.340 0.034 0.000 0.319 227 R C 0.708 177.003 176.300 -0.008 0.000 1.067 227 R CA 0.057 56.163 56.100 0.010 0.000 0.936 227 R CB 0.391 30.734 30.300 0.072 0.000 1.006 227 R HN 0.764 nan 8.270 nan 0.000 0.452 228 I N 0.730 121.278 120.570 -0.037 0.000 4.082 228 I HA 0.495 4.686 4.170 0.034 0.000 0.337 228 I C 0.402 176.495 176.117 -0.040 0.000 1.352 228 I CA -0.199 61.077 61.300 -0.040 0.000 1.097 228 I CB 0.929 38.895 38.000 -0.058 0.000 1.048 228 I HN 0.665 nan 8.210 nan 0.000 0.393 229 G N 1.041 109.817 108.800 -0.039 0.000 2.320 229 G HA2 0.609 4.590 3.960 0.034 0.000 0.296 229 G HA3 0.609 4.590 3.960 0.034 0.000 0.296 229 G C -1.978 172.887 174.900 -0.057 0.000 1.306 229 G CA -0.237 44.832 45.100 -0.053 0.000 0.836 229 G HN 0.322 nan 8.290 nan 0.000 0.517 230 A N -0.704 122.067 122.820 -0.081 0.000 2.324 230 A HA 0.773 5.113 4.320 0.034 0.000 0.330 230 A C -0.268 177.277 177.584 -0.065 0.000 1.165 230 A CA -0.540 51.445 52.037 -0.087 0.000 0.813 230 A CB 1.568 20.476 19.000 -0.153 0.000 1.197 230 A HN 1.466 nan 8.150 nan 0.000 0.484 231 V N 3.076 122.949 119.914 -0.067 0.000 2.383 231 V HA 0.332 4.473 4.120 0.034 0.000 0.275 231 V C 0.113 176.177 176.094 -0.050 0.000 1.036 231 V CA -0.248 62.012 62.300 -0.067 0.000 0.889 231 V CB 0.832 32.598 31.823 -0.096 0.000 0.985 231 V HN 0.833 nan 8.190 nan 0.000 0.459 232 K N 3.450 123.830 120.400 -0.033 0.000 2.345 232 K HA 0.451 4.791 4.320 0.034 0.000 0.255 232 K C -0.642 175.953 176.600 -0.008 0.000 0.934 232 K CA -0.718 55.560 56.287 -0.016 0.000 0.801 232 K CB 2.396 34.885 32.500 -0.019 0.000 1.137 232 K HN 0.519 nan 8.250 nan 0.000 0.424 233 E N 2.279 122.482 120.200 0.005 0.000 2.069 233 E HA 0.110 4.481 4.350 0.034 0.000 0.254 233 E C 0.817 177.422 176.600 0.010 0.000 1.088 233 E CA -0.030 56.375 56.400 0.008 0.000 1.017 233 E CB 0.693 30.404 29.700 0.018 0.000 1.226 233 E HN 0.986 nan 8.360 nan 0.000 0.458 234 G N 3.694 112.496 108.800 0.002 0.000 3.434 234 G HA2 -0.449 3.532 3.960 0.034 0.000 0.343 234 G HA3 -0.449 3.532 3.960 0.034 0.000 0.343 234 G C 1.123 176.026 174.900 0.005 0.000 1.240 234 G CA 0.708 45.809 45.100 0.002 0.000 0.996 234 G HN 0.488 nan 8.290 nan 0.000 0.650 235 E N 1.940 122.148 120.200 0.012 0.000 2.033 235 E HA -0.020 4.351 4.350 0.034 0.000 0.189 235 E C 1.098 177.716 176.600 0.029 0.000 0.979 235 E CA 1.043 57.454 56.400 0.017 0.000 0.802 235 E CB -0.375 29.338 29.700 0.021 0.000 0.763 235 E HN 0.760 nan 8.360 nan 0.000 0.449 236 N N 1.270 119.994 118.700 0.041 0.000 2.514 236 N HA 0.168 4.928 4.740 0.034 0.000 0.277 236 N C -0.745 174.811 175.510 0.077 0.000 1.126 236 N CA -0.247 52.844 53.050 0.068 0.000 0.978 236 N CB 1.682 40.215 38.487 0.076 0.000 1.106 236 N HN -0.194 nan 8.380 nan 0.000 0.461 237 V N 2.414 122.403 119.914 0.125 0.000 2.405 237 V HA 0.027 4.168 4.120 0.034 0.000 0.264 237 V C 0.741 176.976 176.094 0.236 0.000 1.048 237 V CA -0.103 62.291 62.300 0.158 0.000 0.966 237 V CB 1.017 32.969 31.823 0.215 0.000 1.015 237 V HN 0.627 nan 8.190 nan 0.000 0.477 238 V N 4.368 124.328 119.914 0.077 0.000 3.605 238 V HA 0.624 4.764 4.120 0.034 0.000 0.284 238 V C 0.832 176.679 176.094 -0.412 0.000 1.386 238 V CA 1.192 63.497 62.300 0.009 0.000 1.053 238 V CB 0.394 32.224 31.823 0.010 0.000 0.857 238 V HN 0.921 nan 8.190 nan 0.000 0.436 239 G N -1.050 107.389 108.800 -0.602 0.000 2.600 239 G HA2 0.499 4.480 3.960 0.034 0.000 0.293 239 G HA3 0.499 4.480 3.960 0.034 0.000 0.293 239 G C -1.480 173.146 174.900 -0.457 0.000 1.408 239 G CA -0.270 44.229 45.100 -1.002 0.000 0.782 239 G HN 0.011 nan 8.290 nan 0.000 0.482 240 S N -0.144 115.419 115.700 -0.229 0.000 2.449 240 S HA 0.506 4.997 4.470 0.034 0.000 0.310 240 S C -0.475 174.119 174.600 -0.011 0.000 1.096 240 S CA -0.432 57.795 58.200 0.044 0.000 1.095 240 S CB 1.740 65.076 63.200 0.228 0.000 1.007 240 S HN 0.573 nan 8.310 nan 0.000 0.474 241 E N 2.100 122.281 120.200 -0.032 0.000 2.290 241 E HA 0.344 4.715 4.350 0.034 0.000 0.277 241 E C -0.675 175.854 176.600 -0.118 0.000 1.035 241 E CA 0.271 56.629 56.400 -0.071 0.000 0.873 241 E CB 0.568 30.229 29.700 -0.064 0.000 1.029 241 E HN 0.457 nan 8.360 nan 0.000 0.419 242 T N 4.885 119.288 114.554 -0.253 0.000 2.876 242 T HA 0.487 4.858 4.350 0.034 0.000 0.289 242 T C -0.655 173.733 174.700 -0.520 0.000 1.014 242 T CA -0.741 61.120 62.100 -0.399 0.000 0.986 242 T CB 1.244 69.769 68.868 -0.571 0.000 1.021 242 T HN 0.314 nan 8.240 nan 0.000 0.458 243 R N 1.998 122.297 120.500 -0.336 0.000 2.534 243 R HA 0.712 5.073 4.340 0.034 0.000 0.301 243 R C -1.698 174.496 176.300 -0.178 0.000 0.961 243 R CA -0.558 55.392 56.100 -0.251 0.000 0.871 243 R CB 1.344 31.565 30.300 -0.132 0.000 1.170 243 R HN 0.442 nan 8.270 nan 0.000 0.446 244 V N 4.508 124.355 119.914 -0.112 0.000 2.448 244 V HA 0.388 4.528 4.120 0.034 0.000 0.295 244 V C -0.397 175.694 176.094 -0.005 0.000 1.025 244 V CA -0.853 61.432 62.300 -0.024 0.000 0.859 244 V CB 1.811 33.688 31.823 0.091 0.000 0.988 244 V HN 0.686 nan 8.190 nan 0.000 0.431 245 K N 2.972 123.360 120.400 -0.021 0.000 2.159 245 K HA 0.601 4.942 4.320 0.034 0.000 0.266 245 K C -0.873 175.727 176.600 -0.000 0.000 0.975 245 K CA -0.702 55.594 56.287 0.015 0.000 0.865 245 K CB 2.238 34.763 32.500 0.042 0.000 1.087 245 K HN 0.462 nan 8.250 nan 0.000 0.446 246 V N 4.424 124.345 119.914 0.011 0.000 2.356 246 V HA -0.004 4.137 4.120 0.034 0.000 0.258 246 V C 0.997 177.033 176.094 -0.098 0.000 1.065 246 V CA -0.023 62.251 62.300 -0.043 0.000 0.935 246 V CB 0.825 32.615 31.823 -0.054 0.000 1.061 246 V HN 0.683 nan 8.190 nan 0.000 0.484 247 V N 4.188 124.061 119.914 -0.068 0.000 2.878 247 V HA 0.133 4.274 4.120 0.034 0.000 0.250 247 V C 0.894 176.873 176.094 -0.193 0.000 1.075 247 V CA 1.226 63.516 62.300 -0.015 0.000 1.096 247 V CB 0.097 31.996 31.823 0.126 0.000 0.724 247 V HN 0.804 nan 8.190 nan 0.000 0.467 248 K N 0.811 121.106 120.400 -0.176 0.000 2.501 248 K HA 0.394 4.735 4.320 0.034 0.000 0.252 248 K C -1.595 174.904 176.600 -0.167 0.000 0.934 248 K CA -0.567 55.602 56.287 -0.196 0.000 0.797 248 K CB 1.774 34.222 32.500 -0.087 0.000 1.270 248 K HN 0.115 nan 8.250 nan 0.000 0.431 249 N N 3.016 121.607 118.700 -0.182 0.000 2.503 249 N HA 0.228 4.989 4.740 0.034 0.000 0.287 249 N C -0.925 174.535 175.510 -0.083 0.000 1.096 249 N CA -0.386 52.593 53.050 -0.118 0.000 0.936 249 N CB 1.844 40.252 38.487 -0.132 0.000 1.570 249 N HN 0.680 nan 8.380 nan 0.000 0.504 250 K N 2.276 122.649 120.400 -0.046 0.000 2.353 250 K HA 0.287 4.628 4.320 0.034 0.000 0.195 250 K C 1.346 177.936 176.600 -0.017 0.000 1.031 250 K CA 0.312 56.583 56.287 -0.027 0.000 1.079 250 K CB 0.362 32.855 32.500 -0.011 0.000 0.857 250 K HN 0.683 nan 8.250 nan 0.000 0.535 251 I N -4.045 116.514 120.570 -0.019 0.000 4.181 251 I HA 0.395 4.586 4.170 0.034 0.000 0.331 251 I C 0.257 176.367 176.117 -0.012 0.000 1.312 251 I CA -0.436 60.857 61.300 -0.010 0.000 1.146 251 I CB 0.859 38.856 38.000 -0.005 0.000 1.074 251 I HN -0.170 nan 8.210 nan 0.000 0.402 252 A N 1.146 123.954 122.820 -0.021 0.000 2.564 252 A HA 0.794 5.135 4.320 0.034 0.000 0.291 252 A C -0.679 176.885 177.584 -0.033 0.000 1.102 252 A CA -0.255 51.772 52.037 -0.018 0.000 0.660 252 A CB 0.228 19.221 19.000 -0.012 0.000 1.283 252 A HN 0.336 nan 8.150 nan 0.000 0.430 253 A N 1.263 124.071 122.820 -0.020 0.000 2.561 253 A HA 0.535 4.876 4.320 0.034 0.000 0.234 253 A C -1.951 175.589 177.584 -0.075 0.000 1.055 253 A CA -0.052 51.970 52.037 -0.025 0.000 0.756 253 A CB -0.773 18.235 19.000 0.013 0.000 0.986 253 A HN 0.568 nan 8.150 nan 0.000 0.505 254 P HA 0.567 nan 4.420 nan 0.000 0.284 254 P C -0.188 176.972 177.300 -0.233 0.000 1.292 254 P CA -0.310 62.558 63.100 -0.388 0.000 0.800 254 P CB 0.251 31.440 31.700 -0.852 0.000 1.188 255 F N -4.505 115.451 119.950 0.010 0.000 2.699 255 F HA -0.190 4.357 4.527 0.034 0.000 0.343 255 F C 0.679 176.483 175.800 0.007 0.000 0.633 255 F CA 0.580 58.584 58.000 0.008 0.000 1.365 255 F CB -2.422 36.582 39.000 0.007 0.000 1.795 255 F HN 0.232 nan 8.300 nan 0.000 0.304 256 K N 1.291 121.762 120.400 0.118 0.000 2.138 256 K HA 0.506 4.847 4.320 0.034 0.000 0.251 256 K C 0.478 177.120 176.600 0.070 0.000 1.015 256 K CA -0.250 56.086 56.287 0.083 0.000 0.917 256 K CB 0.751 33.281 32.500 0.050 0.000 1.021 256 K HN 0.423 nan 8.250 nan 0.000 0.485 257 Q N -0.374 119.460 119.800 0.057 0.000 2.456 257 Q HA 0.731 5.092 4.340 0.034 0.000 0.283 257 Q C -1.733 174.297 176.000 0.049 0.000 1.084 257 Q CA -1.296 54.535 55.803 0.047 0.000 0.801 257 Q CB 2.065 30.823 28.738 0.035 0.000 1.434 257 Q HN 0.528 nan 8.270 nan 0.000 0.419 258 A N 1.227 124.083 122.820 0.060 0.000 2.365 258 A HA 0.673 5.013 4.320 0.034 0.000 0.318 258 A C -1.221 176.381 177.584 0.031 0.000 1.091 258 A CA -0.618 51.483 52.037 0.106 0.000 0.763 258 A CB 1.693 20.827 19.000 0.224 0.000 1.248 258 A HN 0.746 nan 8.150 nan 0.000 0.442 259 E N 0.483 120.704 120.200 0.036 0.000 2.234 259 E HA 0.655 5.026 4.350 0.034 0.000 0.266 259 E C -1.427 175.182 176.600 0.014 0.000 0.877 259 E CA -0.305 56.031 56.400 -0.108 0.000 0.758 259 E CB 1.954 31.610 29.700 -0.073 0.000 1.170 259 E HN 0.612 nan 8.360 nan 0.000 0.415 260 F N -0.931 119.014 119.950 -0.007 0.000 2.779 260 F HA 0.445 4.993 4.527 0.034 0.000 0.316 260 F C -1.153 174.644 175.800 -0.005 0.000 1.164 260 F CA -1.211 56.782 58.000 -0.012 0.000 0.924 260 F CB 0.927 39.922 39.000 -0.010 0.000 1.348 260 F HN 0.149 nan 8.300 nan 0.000 0.467 261 Q N 1.304 121.279 119.800 0.292 0.000 2.245 261 Q HA 0.652 5.012 4.340 0.034 0.000 0.256 261 Q C -1.154 175.012 176.000 0.277 0.000 0.942 261 Q CA -0.765 55.138 55.803 0.166 0.000 0.896 261 Q CB 2.858 31.639 28.738 0.072 0.000 1.272 261 Q HN 0.584 nan 8.270 nan 0.000 0.442 262 I N 3.524 124.202 120.570 0.181 0.000 2.328 262 I HA 0.239 4.430 4.170 0.034 0.000 0.287 262 I C -0.640 175.474 176.117 -0.005 0.000 1.012 262 I CA -0.431 60.975 61.300 0.177 0.000 1.195 262 I CB 0.694 38.850 38.000 0.261 0.000 1.350 262 I HN 0.354 nan 8.210 nan 0.000 0.464 263 L N 6.949 128.175 121.223 0.005 0.000 2.275 263 L HA 0.358 4.718 4.340 0.034 0.000 0.288 263 L C -0.601 176.298 176.870 0.049 0.000 1.046 263 L CA -0.891 53.893 54.840 -0.094 0.000 0.805 263 L CB 0.390 42.437 42.059 -0.021 0.000 1.193 263 L HN 0.375 nan 8.230 nan 0.000 0.426 264 Y N 1.573 121.966 120.300 0.155 0.000 2.610 264 Y HA 0.217 4.788 4.550 0.034 0.000 0.332 264 Y C 1.491 177.518 175.900 0.211 0.000 1.201 264 Y CA 0.169 58.393 58.100 0.206 0.000 1.465 264 Y CB 0.060 38.612 38.460 0.153 0.000 1.283 264 Y HN 0.855 nan 8.280 nan 0.000 0.563 265 G N 1.692 110.802 108.800 0.516 0.000 2.168 265 G HA2 -0.368 3.612 3.960 0.034 0.000 0.263 265 G HA3 -0.368 3.612 3.960 0.034 0.000 0.263 265 G C 0.767 175.703 174.900 0.059 0.000 0.977 265 G CA 0.862 46.133 45.100 0.285 0.000 0.659 265 G HN 0.725 nan 8.290 nan 0.000 0.533 266 E N -1.731 118.504 120.200 0.059 0.000 2.571 266 E HA 0.453 4.823 4.350 0.034 0.000 0.204 266 E C 1.352 177.945 176.600 -0.012 0.000 0.851 266 E CA 1.180 57.588 56.400 0.012 0.000 1.358 266 E CB 0.497 30.224 29.700 0.046 0.000 1.327 266 E HN 1.761 nan 8.360 nan 0.000 0.665 267 G N 0.959 109.783 108.800 0.040 0.000 2.428 267 G HA2 -0.165 3.816 3.960 0.034 0.000 0.202 267 G HA3 -0.165 3.816 3.960 0.034 0.000 0.202 267 G C -0.583 174.358 174.900 0.068 0.000 1.247 267 G CA -0.402 44.723 45.100 0.042 0.000 1.020 267 G HN 0.175 nan 8.290 nan 0.000 0.529 268 I N 1.451 122.042 120.570 0.035 0.000 2.683 268 I HA 0.018 4.209 4.170 0.034 0.000 0.286 268 I C 0.799 176.941 176.117 0.042 0.000 1.175 268 I CA -0.125 61.185 61.300 0.016 0.000 1.429 268 I CB 0.595 38.484 38.000 -0.185 0.000 1.371 268 I HN 0.468 nan 8.210 nan 0.000 0.569 269 N N 6.616 125.368 118.700 0.086 0.000 2.819 269 N HA -0.059 4.702 4.740 0.034 0.000 0.284 269 N C 0.622 176.168 175.510 0.060 0.000 1.196 269 N CA 0.200 53.303 53.050 0.088 0.000 1.114 269 N CB -0.197 38.339 38.487 0.082 0.000 1.437 269 N HN 0.517 nan 8.380 nan 0.000 0.518 270 F N 2.581 122.454 119.950 -0.128 0.000 2.102 270 F HA -0.179 4.368 4.527 0.034 0.000 0.298 270 F C 0.930 176.596 175.800 -0.222 0.000 1.105 270 F CA 1.541 59.392 58.000 -0.249 0.000 1.239 270 F CB -0.124 38.626 39.000 -0.417 0.000 0.991 270 F HN 0.376 nan 8.300 nan 0.000 0.474 271 Y N 0.441 120.794 120.300 0.088 0.000 2.421 271 Y HA 0.033 4.604 4.550 0.034 0.000 0.292 271 Y C 2.614 178.454 175.900 -0.101 0.000 1.136 271 Y CA 0.889 58.981 58.100 -0.013 0.000 1.255 271 Y CB -1.258 37.246 38.460 0.073 0.000 0.991 271 Y HN 0.143 nan 8.280 nan 0.000 0.552 272 G N 0.022 108.853 108.800 0.051 0.000 2.433 272 G HA2 -0.252 3.729 3.960 0.034 0.000 0.216 272 G HA3 -0.252 3.729 3.960 0.034 0.000 0.216 272 G C 1.490 176.351 174.900 -0.065 0.000 1.186 272 G CA 1.049 46.145 45.100 -0.007 0.000 0.779 272 G HN 0.397 nan 8.290 nan 0.000 0.543 273 E N -0.265 119.858 120.200 -0.127 0.000 2.097 273 E HA -0.157 4.214 4.350 0.034 0.000 0.196 273 E C 2.397 178.876 176.600 -0.203 0.000 1.000 273 E CA 0.910 57.210 56.400 -0.167 0.000 0.804 273 E CB -0.226 29.316 29.700 -0.263 0.000 0.740 273 E HN 0.304 nan 8.360 nan 0.000 0.454 274 L N 0.657 121.697 121.223 -0.305 0.000 2.042 274 L HA -0.174 4.187 4.340 0.034 0.000 0.210 274 L C 2.207 179.030 176.870 -0.077 0.000 1.076 274 L CA 1.361 56.067 54.840 -0.224 0.000 0.749 274 L CB -0.389 41.544 42.059 -0.210 0.000 0.893 274 L HN -0.027 nan 8.230 nan 0.000 0.432 275 V N -0.185 119.698 119.914 -0.052 0.000 2.233 275 V HA -0.332 3.809 4.120 0.034 0.000 0.247 275 V C 2.326 178.426 176.094 0.011 0.000 1.050 275 V CA 2.088 64.365 62.300 -0.038 0.000 1.010 275 V CB -0.789 30.952 31.823 -0.138 0.000 0.637 275 V HN 0.423 nan 8.190 nan 0.000 0.444 276 D N -0.085 120.315 120.400 -0.001 0.000 2.116 276 D HA -0.156 4.504 4.640 0.034 0.000 0.193 276 D C 2.052 178.370 176.300 0.030 0.000 0.998 276 D CA 1.132 55.152 54.000 0.033 0.000 0.836 276 D CB -0.357 40.453 40.800 0.015 0.000 0.951 276 D HN 0.160 nan 8.370 nan 0.000 0.449 277 L N 0.656 121.876 121.223 -0.005 0.000 2.046 277 L HA -0.039 4.322 4.340 0.034 0.000 0.208 277 L C 2.532 179.417 176.870 0.025 0.000 1.077 277 L CA 1.682 56.520 54.840 -0.002 0.000 0.747 277 L CB -1.636 40.399 42.059 -0.040 0.000 0.896 277 L HN 0.083 nan 8.230 nan 0.000 0.432 278 G N -1.084 107.735 108.800 0.031 0.000 2.446 278 G HA2 -0.194 3.786 3.960 0.034 0.000 0.217 278 G HA3 -0.194 3.786 3.960 0.034 0.000 0.217 278 G C 1.759 176.718 174.900 0.098 0.000 1.168 278 G CA 1.033 46.174 45.100 0.068 0.000 0.771 278 G HN 0.274 nan 8.290 nan 0.000 0.551 279 V N 0.801 120.782 119.914 0.112 0.000 2.295 279 V HA -0.148 3.992 4.120 0.034 0.000 0.246 279 V C 2.701 178.842 176.094 0.078 0.000 1.049 279 V CA 2.209 64.582 62.300 0.122 0.000 1.024 279 V CB -0.381 31.544 31.823 0.171 0.000 0.648 279 V HN 0.401 nan 8.190 nan 0.000 0.447 280 K N -0.134 120.304 120.400 0.063 0.000 2.103 280 K HA -0.198 4.142 4.320 0.034 0.000 0.207 280 K C 1.753 178.378 176.600 0.041 0.000 1.048 280 K CA 1.447 57.761 56.287 0.044 0.000 0.930 280 K CB -0.019 32.502 32.500 0.035 0.000 0.716 280 K HN 0.366 nan 8.250 nan 0.000 0.444 281 E N 0.764 120.993 120.200 0.047 0.000 2.476 281 E HA -0.014 4.357 4.350 0.034 0.000 0.191 281 E C -0.221 176.412 176.600 0.054 0.000 1.064 281 E CA 0.149 56.577 56.400 0.046 0.000 0.866 281 E CB 0.453 30.181 29.700 0.046 0.000 0.952 281 E HN 0.188 nan 8.360 nan 0.000 0.492 282 K N -0.171 120.265 120.400 0.059 0.000 3.160 282 K HA -0.194 4.147 4.320 0.034 0.000 0.280 282 K C 0.885 177.532 176.600 0.077 0.000 1.154 282 K CA 0.451 56.773 56.287 0.058 0.000 0.822 282 K CB -2.126 30.397 32.500 0.038 0.000 1.239 282 K HN 0.255 nan 8.250 nan 0.000 0.489 283 L N -0.554 120.737 121.223 0.114 0.000 2.357 283 L HA 0.238 4.599 4.340 0.034 0.000 0.211 283 L C 1.146 178.172 176.870 0.260 0.000 1.075 283 L CA 0.431 55.378 54.840 0.179 0.000 0.830 283 L CB 0.184 42.365 42.059 0.205 0.000 0.996 283 L HN 0.104 nan 8.230 nan 0.000 0.467 284 I N 0.024 120.725 120.570 0.219 0.000 2.378 284 I HA 0.201 4.392 4.170 0.034 0.000 0.291 284 I C -0.188 176.025 176.117 0.161 0.000 0.992 284 I CA -0.547 60.900 61.300 0.246 0.000 1.154 284 I CB 2.037 40.182 38.000 0.243 0.000 1.315 284 I HN -0.078 nan 8.210 nan 0.000 0.448 285 E N 6.066 126.341 120.200 0.124 0.000 2.301 285 E HA 0.267 4.637 4.350 0.034 0.000 0.275 285 E C -0.763 175.843 176.600 0.011 0.000 1.030 285 E CA -0.342 56.089 56.400 0.051 0.000 0.852 285 E CB 1.021 30.732 29.700 0.018 0.000 1.060 285 E HN 0.319 nan 8.360 nan 0.000 0.401 286 K N 2.734 123.094 120.400 -0.065 0.000 2.616 286 K HA 0.526 4.867 4.320 0.034 0.000 0.241 286 K C -1.728 174.785 176.600 -0.144 0.000 0.961 286 K CA -0.633 55.521 56.287 -0.223 0.000 0.942 286 K CB 1.085 33.384 32.500 -0.334 0.000 1.153 286 K HN 0.506 nan 8.250 nan 0.000 0.452 287 A N 3.371 126.137 122.820 -0.091 0.000 2.444 287 A HA 0.605 4.946 4.320 0.034 0.000 0.332 287 A C 0.799 178.378 177.584 -0.008 0.000 1.430 287 A CA 0.380 52.399 52.037 -0.031 0.000 0.975 287 A CB 0.135 19.135 19.000 0.001 0.000 1.147 287 A HN 1.019 nan 8.150 nan 0.000 0.524 288 G N 1.987 110.759 108.800 -0.047 0.000 2.687 288 G HA2 -0.073 3.907 3.960 0.034 0.000 0.303 288 G HA3 -0.073 3.907 3.960 0.034 0.000 0.303 288 G C 1.294 176.126 174.900 -0.112 0.000 1.209 288 G CA 0.912 45.985 45.100 -0.044 0.000 0.968 288 G HN 1.994 nan 8.290 nan 0.000 0.549 289 A N -0.875 121.882 122.820 -0.104 0.000 2.303 289 A HA 0.516 4.857 4.320 0.034 0.000 0.217 289 A C 0.607 178.031 177.584 -0.268 0.000 1.205 289 A CA 0.445 52.366 52.037 -0.194 0.000 0.875 289 A CB 0.054 18.936 19.000 -0.198 0.000 0.910 289 A HN 0.562 nan 8.150 nan 0.000 0.501 290 W N -0.119 121.087 121.300 -0.156 0.000 2.335 290 W HA 0.504 5.185 4.660 0.035 0.000 0.306 290 W C -0.737 175.657 176.519 -0.208 0.000 1.216 290 W CA -0.083 57.201 57.345 -0.102 0.000 1.237 290 W CB 0.371 29.789 29.460 -0.069 0.000 1.243 290 W HN 0.234 nan 8.180 nan 0.000 0.493 291 Y N 2.580 123.021 120.300 0.235 0.000 2.330 291 Y HA 0.451 5.022 4.550 0.034 0.000 0.336 291 Y C 0.490 176.447 175.900 0.095 0.000 1.036 291 Y CA -0.354 57.817 58.100 0.119 0.000 1.125 291 Y CB 1.405 39.892 38.460 0.046 0.000 1.194 291 Y HN 0.139 nan 8.280 nan 0.000 0.469 292 S N 2.435 118.239 115.700 0.173 0.000 2.526 292 S HA 0.426 4.917 4.470 0.034 0.000 0.293 292 S C -1.963 172.701 174.600 0.107 0.000 1.092 292 S CA -0.803 57.435 58.200 0.063 0.000 0.980 292 S CB 1.380 64.584 63.200 0.006 0.000 1.048 292 S HN 0.493 nan 8.310 nan 0.000 0.483 293 Y N 2.623 122.851 120.300 -0.119 0.000 2.350 293 Y HA 0.376 4.947 4.550 0.034 0.000 0.338 293 Y C 0.129 176.004 175.900 -0.042 0.000 0.961 293 Y CA -1.068 56.994 58.100 -0.064 0.000 1.100 293 Y CB 0.694 39.112 38.460 -0.070 0.000 1.179 293 Y HN 0.797 nan 8.280 nan 0.000 0.454 294 K N 4.866 124.932 120.400 -0.557 0.000 3.177 294 K HA -0.274 4.067 4.320 0.034 0.000 0.266 294 K C 0.962 177.440 176.600 -0.203 0.000 0.937 294 K CA 1.024 57.048 56.287 -0.437 0.000 0.702 294 K CB -1.672 30.479 32.500 -0.581 0.000 1.365 294 K HN 1.296 nan 8.250 nan 0.000 0.466 295 G N -0.126 108.589 108.800 -0.142 0.000 2.320 295 G HA2 -0.349 3.632 3.960 0.034 0.000 0.242 295 G HA3 -0.349 3.632 3.960 0.034 0.000 0.242 295 G C -0.103 174.739 174.900 -0.097 0.000 1.033 295 G CA 0.432 45.471 45.100 -0.102 0.000 0.620 295 G HN 0.462 nan 8.290 nan 0.000 0.517 296 E N 1.551 121.696 120.200 -0.092 0.000 2.200 296 E HA 0.375 4.746 4.350 0.034 0.000 0.283 296 E C 0.087 176.604 176.600 -0.138 0.000 1.015 296 E CA -0.506 55.838 56.400 -0.094 0.000 0.819 296 E CB 0.423 30.097 29.700 -0.043 0.000 1.081 296 E HN 0.368 nan 8.360 nan 0.000 0.397 297 K N 4.135 124.443 120.400 -0.154 0.000 2.412 297 K HA 0.071 4.412 4.320 0.034 0.000 0.281 297 K C 1.164 177.648 176.600 -0.194 0.000 1.027 297 K CA 0.195 56.404 56.287 -0.130 0.000 0.989 297 K CB 0.521 32.877 32.500 -0.239 0.000 0.935 297 K HN 0.535 nan 8.250 nan 0.000 0.475 298 I N -1.508 118.928 120.570 -0.222 0.000 4.187 298 I HA 0.329 4.520 4.170 0.034 0.000 0.326 298 I C 0.559 176.568 176.117 -0.180 0.000 1.302 298 I CA -0.325 60.587 61.300 -0.647 0.000 1.196 298 I CB 1.039 38.343 38.000 -1.159 0.000 1.095 298 I HN 0.564 nan 8.210 nan 0.000 0.411 299 G N 1.368 110.259 108.800 0.152 0.000 2.384 299 G HA2 0.181 4.162 3.960 0.034 0.000 0.300 299 G HA3 0.181 4.162 3.960 0.034 0.000 0.300 299 G C -2.076 172.811 174.900 -0.021 0.000 1.582 299 G CA -0.693 44.481 45.100 0.123 0.000 0.875 299 G HN 0.203 nan 8.290 nan 0.000 0.628 300 Q N 0.417 119.911 119.800 -0.511 0.000 2.303 300 Q HA 0.551 4.912 4.340 0.034 0.000 0.257 300 Q C 0.462 176.292 176.000 -0.283 0.000 0.941 300 Q CA 0.573 55.893 55.803 -0.805 0.000 0.931 300 Q CB 1.056 28.961 28.738 -1.388 0.000 1.215 300 Q HN 2.381 nan 8.270 nan 0.000 0.437 301 G N 3.024 111.796 108.800 -0.048 0.000 2.721 301 G HA2 -0.252 3.729 3.960 0.034 0.000 0.686 301 G HA3 -0.252 3.729 3.960 0.034 0.000 0.686 301 G C 0.009 174.933 174.900 0.040 0.000 1.236 301 G CA -0.038 45.099 45.100 0.061 0.000 0.786 301 G HN 0.792 nan 8.290 nan 0.000 0.616 302 K N 0.988 121.402 120.400 0.023 0.000 2.074 302 K HA -0.059 4.281 4.320 0.034 0.000 0.209 302 K C 2.981 179.468 176.600 -0.188 0.000 1.048 302 K CA 2.589 58.737 56.287 -0.232 0.000 0.926 302 K CB -0.352 32.103 32.500 -0.075 0.000 0.713 302 K HN 1.193 nan 8.250 nan 0.000 0.444 303 A N 1.246 124.013 122.820 -0.088 0.000 1.892 303 A HA -0.258 4.083 4.320 0.034 0.000 0.218 303 A C 1.794 179.344 177.584 -0.058 0.000 1.188 303 A CA 2.156 54.158 52.037 -0.059 0.000 0.631 303 A CB -0.867 18.111 19.000 -0.037 0.000 0.822 303 A HN 0.562 nan 8.150 nan 0.000 0.447 304 N N -0.480 118.181 118.700 -0.066 0.000 2.216 304 N HA 0.013 4.774 4.740 0.034 0.000 0.183 304 N C 2.012 177.519 175.510 -0.005 0.000 1.017 304 N CA 0.776 53.809 53.050 -0.029 0.000 0.861 304 N CB -0.206 38.257 38.487 -0.041 0.000 0.986 304 N HN 0.499 nan 8.380 nan 0.000 0.428 305 A N 0.880 123.635 122.820 -0.108 0.000 1.902 305 A HA -0.151 4.189 4.320 0.034 0.000 0.217 305 A C 2.282 179.852 177.584 -0.022 0.000 1.181 305 A CA 1.763 53.727 52.037 -0.121 0.000 0.623 305 A CB -1.043 17.650 19.000 -0.511 0.000 0.818 305 A HN 0.211 nan 8.150 nan 0.000 0.443 306 T N 0.540 115.047 114.554 -0.079 0.000 2.652 306 T HA -0.099 4.272 4.350 0.034 0.000 0.267 306 T C 2.230 176.912 174.700 -0.029 0.000 1.039 306 T CA 1.853 63.942 62.100 -0.020 0.000 1.153 306 T CB -0.595 68.266 68.868 -0.010 0.000 0.863 306 T HN 0.633 nan 8.240 nan 0.000 0.428 307 A N 0.307 123.120 122.820 -0.012 0.000 1.940 307 A HA -0.146 4.195 4.320 0.034 0.000 0.219 307 A C 2.058 179.627 177.584 -0.026 0.000 1.176 307 A CA 1.709 53.731 52.037 -0.026 0.000 0.631 307 A CB -1.182 17.823 19.000 0.008 0.000 0.814 307 A HN 0.717 nan 8.150 nan 0.000 0.446 308 W N 0.431 121.662 121.300 -0.115 0.000 2.381 308 W HA -0.114 4.566 4.660 0.034 0.000 0.301 308 W C 1.829 178.254 176.519 -0.156 0.000 1.205 308 W CA 1.829 59.116 57.345 -0.097 0.000 1.285 308 W CB -0.255 29.180 29.460 -0.040 0.000 1.133 308 W HN 0.256 nan 8.180 nan 0.000 0.521 309 L N 0.526 121.736 121.223 -0.020 0.000 2.046 309 L HA -0.224 4.137 4.340 0.034 0.000 0.208 309 L C 2.565 179.023 176.870 -0.686 0.000 1.077 309 L CA 1.610 56.291 54.840 -0.265 0.000 0.747 309 L CB -0.928 41.110 42.059 -0.036 0.000 0.896 309 L HN -0.092 nan 8.230 nan 0.000 0.432 310 K N -0.094 119.796 120.400 -0.849 0.000 2.103 310 K HA -0.248 4.093 4.320 0.034 0.000 0.207 310 K C 1.582 177.874 176.600 -0.513 0.000 1.048 310 K CA 1.874 57.604 56.287 -0.928 0.000 0.930 310 K CB -0.008 32.182 32.500 -0.516 0.000 0.716 310 K HN 0.185 nan 8.250 nan 0.000 0.444 311 D N -0.250 119.882 120.400 -0.448 0.000 2.249 311 D HA -0.028 4.633 4.640 0.034 0.000 0.205 311 D C -0.429 175.597 176.300 -0.457 0.000 0.962 311 D CA 0.665 54.437 54.000 -0.381 0.000 0.860 311 D CB 0.204 40.800 40.800 -0.339 0.000 0.955 311 D HN 0.097 nan 8.370 nan 0.000 0.505 312 N N 0.004 118.320 118.700 -0.641 0.000 2.976 312 N HA 0.211 4.972 4.740 0.034 0.000 0.255 312 N C -2.162 173.122 175.510 -0.377 0.000 1.312 312 N CA -1.137 51.553 53.050 -0.600 0.000 0.897 312 N CB 1.778 39.624 38.487 -1.067 0.000 1.184 312 N HN 0.008 nan 8.380 nan 0.000 0.497 313 P HA -0.120 nan 4.420 nan 0.000 0.221 313 P C 0.896 178.168 177.300 -0.047 0.000 1.150 313 P CA 1.069 64.111 63.100 -0.098 0.000 0.800 313 P CB 0.461 32.124 31.700 -0.062 0.000 0.787 314 E N -0.523 119.635 120.200 -0.070 0.000 2.072 314 E HA -0.101 4.269 4.350 0.034 0.000 0.191 314 E C 1.828 178.423 176.600 -0.008 0.000 0.985 314 E CA 1.469 57.852 56.400 -0.028 0.000 0.801 314 E CB -1.765 27.920 29.700 -0.025 0.000 0.750 314 E HN 0.250 nan 8.360 nan 0.000 0.452 315 T N 1.746 116.275 114.554 -0.042 0.000 2.821 315 T HA -0.027 4.344 4.350 0.034 0.000 0.267 315 T C 2.051 176.729 174.700 -0.036 0.000 1.046 315 T CA 1.402 63.495 62.100 -0.012 0.000 1.139 315 T CB -0.249 68.619 68.868 0.000 0.000 0.871 315 T HN 0.316 nan 8.240 nan 0.000 0.454 316 A N 2.192 124.998 122.820 -0.024 0.000 1.883 316 A HA -0.152 4.189 4.320 0.034 0.000 0.217 316 A C 2.303 179.953 177.584 0.109 0.000 1.186 316 A CA 1.308 53.396 52.037 0.084 0.000 0.624 316 A CB -0.353 18.786 19.000 0.231 0.000 0.822 316 A HN 0.201 nan 8.150 nan 0.000 0.444 317 K N -0.137 120.315 120.400 0.087 0.000 2.063 317 K HA -0.197 4.143 4.320 0.034 0.000 0.208 317 K C 1.919 178.558 176.600 0.065 0.000 1.048 317 K CA 1.704 58.036 56.287 0.075 0.000 0.928 317 K CB -0.577 31.949 32.500 0.045 0.000 0.713 317 K HN 0.799 nan 8.250 nan 0.000 0.442 318 E N 0.613 120.848 120.200 0.058 0.000 2.058 318 E HA -0.157 4.214 4.350 0.034 0.000 0.194 318 E C 2.115 178.761 176.600 0.077 0.000 0.997 318 E CA 1.062 57.507 56.400 0.075 0.000 0.801 318 E CB -0.052 29.711 29.700 0.105 0.000 0.746 318 E HN 0.237 nan 8.360 nan 0.000 0.450 319 I N 0.964 121.557 120.570 0.039 0.000 2.226 319 I HA -0.242 3.948 4.170 0.034 0.000 0.245 319 I C 2.727 178.874 176.117 0.050 0.000 1.100 319 I CA 1.283 62.602 61.300 0.031 0.000 1.374 319 I CB -0.388 37.574 38.000 -0.063 0.000 1.057 319 I HN 0.261 nan 8.210 nan 0.000 0.413 320 E N 1.579 121.816 120.200 0.061 0.000 2.077 320 E HA -0.303 4.068 4.350 0.034 0.000 0.193 320 E C 2.226 178.864 176.600 0.062 0.000 0.989 320 E CA 1.427 57.868 56.400 0.069 0.000 0.800 320 E CB 0.020 29.802 29.700 0.138 0.000 0.746 320 E HN 0.332 nan 8.360 nan 0.000 0.452 321 K N 0.693 121.131 120.400 0.063 0.000 2.063 321 K HA -0.202 4.139 4.320 0.034 0.000 0.208 321 K C 2.097 178.727 176.600 0.051 0.000 1.048 321 K CA 1.690 58.008 56.287 0.053 0.000 0.928 321 K CB 0.068 32.599 32.500 0.051 0.000 0.713 321 K HN -0.044 nan 8.250 nan 0.000 0.442 322 K N -0.048 120.388 120.400 0.060 0.000 2.057 322 K HA -0.068 4.272 4.320 0.034 0.000 0.206 322 K C 1.954 178.583 176.600 0.050 0.000 1.050 322 K CA 1.196 57.520 56.287 0.061 0.000 0.935 322 K CB 0.046 32.596 32.500 0.083 0.000 0.715 322 K HN -0.038 nan 8.250 nan 0.000 0.439 323 V N 1.358 121.298 119.914 0.045 0.000 2.343 323 V HA -0.266 3.874 4.120 0.034 0.000 0.247 323 V C 2.181 178.290 176.094 0.025 0.000 1.051 323 V CA 1.723 64.042 62.300 0.030 0.000 1.036 323 V CB -0.438 31.392 31.823 0.012 0.000 0.654 323 V HN 0.272 nan 8.190 nan 0.000 0.451 324 R N -0.270 120.248 120.500 0.029 0.000 2.066 324 R HA -0.147 4.214 4.340 0.034 0.000 0.232 324 R C 2.355 178.670 176.300 0.026 0.000 1.131 324 R CA 1.622 57.738 56.100 0.027 0.000 0.955 324 R CB -0.303 30.016 30.300 0.032 0.000 0.851 324 R HN 0.597 nan 8.270 nan 0.000 0.432 325 E N 0.603 120.821 120.200 0.030 0.000 2.085 325 E HA -0.204 4.167 4.350 0.034 0.000 0.194 325 E C 1.981 178.596 176.600 0.026 0.000 0.994 325 E CA 1.121 57.537 56.400 0.028 0.000 0.801 325 E CB -0.073 29.646 29.700 0.031 0.000 0.743 325 E HN 0.287 nan 8.360 nan 0.000 0.453 326 L N 0.004 121.244 121.223 0.028 0.000 2.156 326 L HA -0.108 4.253 4.340 0.034 0.000 0.208 326 L C 2.019 178.903 176.870 0.023 0.000 1.095 326 L CA 0.766 55.622 54.840 0.027 0.000 0.770 326 L CB 0.074 42.151 42.059 0.031 0.000 0.914 326 L HN 0.148 nan 8.230 nan 0.000 0.439 327 L N -1.367 119.869 121.223 0.021 0.000 2.672 327 L HA 0.185 4.546 4.340 0.034 0.000 0.236 327 L C 0.379 177.260 176.870 0.018 0.000 1.092 327 L CA -0.261 54.591 54.840 0.019 0.000 0.887 327 L CB 0.503 42.572 42.059 0.017 0.000 1.168 327 L HN 0.051 nan 8.230 nan 0.000 0.502 328 L N 0.783 122.017 121.223 0.018 0.000 2.361 328 L HA 0.088 4.449 4.340 0.034 0.000 0.278 328 L C 1.519 178.398 176.870 0.015 0.000 1.113 328 L CA -0.106 54.744 54.840 0.016 0.000 0.849 328 L CB 1.464 43.533 42.059 0.016 0.000 1.155 328 L HN 0.185 nan 8.230 nan 0.000 0.452 329 S N 1.580 117.288 115.700 0.014 0.000 2.414 329 S HA -0.013 4.478 4.470 0.034 0.000 0.227 329 S C 0.817 175.424 174.600 0.012 0.000 1.022 329 S CA 0.242 58.450 58.200 0.014 0.000 0.958 329 S CB 0.046 63.254 63.200 0.014 0.000 0.797 329 S HN 0.708 nan 8.310 nan 0.000 0.493 330 N N 3.208 121.914 118.700 0.010 0.000 2.918 330 N HA 0.312 5.072 4.740 0.034 0.000 0.270 330 N C -3.057 172.458 175.510 0.009 0.000 1.536 330 N CA -0.933 52.122 53.050 0.008 0.000 0.877 330 N CB 1.470 39.960 38.487 0.005 0.000 1.190 330 N HN 0.414 nan 8.380 nan 0.000 0.492 331 P HA 0.198 nan 4.420 nan 0.000 0.275 331 P C -0.010 177.295 177.300 0.009 0.000 1.227 331 P CA 0.112 63.218 63.100 0.011 0.000 0.781 331 P CB 1.908 33.616 31.700 0.013 0.000 0.906 332 N N 0.743 119.448 118.700 0.009 0.000 2.951 332 N HA 0.044 4.804 4.740 0.034 0.000 0.319 332 N C -0.592 174.921 175.510 0.006 0.000 0.803 332 N CA 0.469 53.523 53.050 0.007 0.000 1.448 332 N CB 0.467 38.957 38.487 0.005 0.000 1.136 332 N HN 0.485 nan 8.380 nan 0.000 1.433 1002 I N 1.518 122.087 120.570 -0.002 0.000 2.406 1002 I HA -0.051 4.140 4.170 0.034 0.000 0.249 1002 I C 1.922 178.037 176.117 -0.003 0.000 1.122 1002 I CA 1.664 62.963 61.300 -0.002 0.000 1.431 1002 I CB -0.113 37.885 38.000 -0.003 0.000 1.087 1002 I HN 0.482 nan 8.210 nan 0.000 0.424 1003 D N 0.445 120.843 120.400 -0.003 0.000 2.354 1003 D HA -0.091 4.569 4.640 0.034 0.000 0.209 1003 D C 1.578 177.876 176.300 -0.003 0.000 1.015 1003 D CA 0.537 54.535 54.000 -0.004 0.000 0.867 1003 D CB -0.195 40.602 40.800 -0.005 0.000 0.933 1003 D HN 0.353 nan 8.370 nan 0.000 0.520 1004 E N -0.065 120.134 120.200 -0.003 0.000 2.299 1004 E HA 0.032 4.403 4.350 0.034 0.000 0.193 1004 E C 1.470 178.069 176.600 -0.001 0.000 0.998 1004 E CA 0.132 56.531 56.400 -0.002 0.000 0.851 1004 E CB 0.128 29.827 29.700 -0.002 0.000 0.795 1004 E HN 0.146 nan 8.360 nan 0.000 0.492 1005 N N 0.880 119.579 118.700 -0.001 0.000 2.270 1005 N HA -0.078 4.683 4.740 0.034 0.000 0.181 1005 N C 1.371 176.881 175.510 -0.000 0.000 1.016 1005 N CA 0.809 53.859 53.050 -0.001 0.000 0.870 1005 N CB 0.089 38.576 38.487 -0.001 0.000 0.979 1005 N HN 0.110 nan 8.380 nan 0.000 0.431 1006 K N 1.067 121.466 120.400 -0.001 0.000 2.002 1006 K HA -0.091 4.250 4.320 0.034 0.000 0.209 1006 K C 2.025 178.625 176.600 -0.001 0.000 1.048 1006 K CA 1.150 57.436 56.287 -0.001 0.000 0.930 1006 K CB -0.084 32.414 32.500 -0.003 0.000 0.714 1006 K HN 0.257 nan 8.250 nan 0.000 0.438 1007 Q N 0.585 120.384 119.800 -0.001 0.000 2.119 1007 Q HA -0.153 4.207 4.340 0.034 0.000 0.201 1007 Q C 2.158 178.159 176.000 0.001 0.000 0.972 1007 Q CA 1.148 56.951 55.803 -0.000 0.000 0.847 1007 Q CB 0.009 28.747 28.738 -0.001 0.000 0.903 1007 Q HN 0.207 nan 8.270 nan 0.000 0.433 1008 K N 0.766 121.166 120.400 0.001 0.000 2.002 1008 K HA -0.162 4.179 4.320 0.034 0.000 0.209 1008 K C 1.958 178.559 176.600 0.002 0.000 1.048 1008 K CA 1.430 57.717 56.287 0.001 0.000 0.930 1008 K CB -0.153 32.347 32.500 0.000 0.000 0.714 1008 K HN 0.151 nan 8.250 nan 0.000 0.438 1009 A N 1.364 124.185 122.820 0.002 0.000 1.969 1009 A HA -0.097 4.244 4.320 0.034 0.000 0.218 1009 A C 2.063 179.650 177.584 0.005 0.000 1.169 1009 A CA 0.997 53.036 52.037 0.003 0.000 0.635 1009 A CB -0.450 18.552 19.000 0.003 0.000 0.810 1009 A HN 0.390 nan 8.150 nan 0.000 0.445 1010 L N -0.093 121.132 121.223 0.004 0.000 1.994 1010 L HA -0.050 4.311 4.340 0.034 0.000 0.208 1010 L C 2.719 179.594 176.870 0.008 0.000 1.071 1010 L CA 2.276 57.120 54.840 0.006 0.000 0.745 1010 L CB -0.855 41.206 42.059 0.004 0.000 0.892 1010 L HN 0.323 nan 8.230 nan 0.000 0.431 1011 A N -0.487 122.337 122.820 0.006 0.000 1.908 1011 A HA -0.184 4.156 4.320 0.034 0.000 0.218 1011 A C 2.433 180.022 177.584 0.008 0.000 1.181 1011 A CA 2.137 54.179 52.037 0.007 0.000 0.627 1011 A CB -1.265 17.738 19.000 0.005 0.000 0.818 1011 A HN 0.619 nan 8.150 nan 0.000 0.445 1012 A N -0.243 122.581 122.820 0.007 0.000 1.877 1012 A HA 0.167 4.508 4.320 0.034 0.000 0.216 1012 A C 2.540 180.129 177.584 0.010 0.000 1.186 1012 A CA 2.181 54.221 52.037 0.006 0.000 0.620 1012 A CB -1.095 17.907 19.000 0.004 0.000 0.822 1012 A HN 1.101 nan 8.150 nan 0.000 0.443 1013 A N -0.773 122.055 122.820 0.013 0.000 1.902 1013 A HA -0.003 4.337 4.320 0.034 0.000 0.217 1013 A C 2.047 179.649 177.584 0.031 0.000 1.181 1013 A CA 1.702 53.752 52.037 0.021 0.000 0.623 1013 A CB -0.567 18.445 19.000 0.021 0.000 0.818 1013 A HN 0.391 nan 8.150 nan 0.000 0.443 1014 L N -0.063 121.177 121.223 0.027 0.000 2.012 1014 L HA -0.092 4.269 4.340 0.034 0.000 0.210 1014 L C 2.767 179.657 176.870 0.033 0.000 1.073 1014 L CA 2.037 56.896 54.840 0.033 0.000 0.748 1014 L CB -1.256 40.817 42.059 0.024 0.000 0.891 1014 L HN 0.400 nan 8.230 nan 0.000 0.431 1015 G N -1.762 107.050 108.800 0.021 0.000 2.442 1015 G HA2 -0.355 3.626 3.960 0.034 0.000 0.219 1015 G HA3 -0.355 3.626 3.960 0.034 0.000 0.219 1015 G C 1.576 176.481 174.900 0.008 0.000 1.141 1015 G CA 0.938 46.046 45.100 0.013 0.000 0.763 1015 G HN 0.393 nan 8.290 nan 0.000 0.554 1016 Q N 0.293 120.098 119.800 0.008 0.000 2.046 1016 Q HA 0.023 4.384 4.340 0.034 0.000 0.200 1016 Q C 2.435 178.432 176.000 -0.005 0.000 0.975 1016 Q CA 1.200 56.998 55.803 -0.007 0.000 0.836 1016 Q CB -0.360 28.377 28.738 -0.001 0.000 0.896 1016 Q HN 0.551 nan 8.270 nan 0.000 0.428 1017 I N 0.446 121.053 120.570 0.062 0.000 2.208 1017 I HA -0.276 3.914 4.170 0.034 0.000 0.245 1017 I C 2.147 178.358 176.117 0.158 0.000 1.097 1017 I CA 1.526 62.929 61.300 0.173 0.000 1.363 1017 I CB -0.294 37.823 38.000 0.194 0.000 1.051 1017 I HN 0.312 nan 8.210 nan 0.000 0.413 1018 E N 0.517 120.769 120.200 0.086 0.000 2.106 1018 E HA -0.239 4.132 4.350 0.034 0.000 0.192 1018 E C 2.137 178.749 176.600 0.020 0.000 0.984 1018 E CA 0.866 57.307 56.400 0.069 0.000 0.806 1018 E CB -0.057 29.671 29.700 0.047 0.000 0.750 1018 E HN 0.389 nan 8.360 nan 0.000 0.458 1019 K N 0.940 121.327 120.400 -0.021 0.000 2.057 1019 K HA -0.177 4.164 4.320 0.034 0.000 0.206 1019 K C 2.172 178.694 176.600 -0.130 0.000 1.050 1019 K CA 1.202 57.455 56.287 -0.058 0.000 0.935 1019 K CB 0.115 32.581 32.500 -0.057 0.000 0.715 1019 K HN 0.063 nan 8.250 nan 0.000 0.439 1020 Q N -1.157 118.494 119.800 -0.248 0.000 2.083 1020 Q HA -0.079 4.282 4.340 0.034 0.000 0.198 1020 Q C 0.881 176.509 176.000 -0.620 0.000 0.969 1020 Q CA 1.281 56.749 55.803 -0.559 0.000 0.838 1020 Q CB 0.234 28.384 28.738 -0.981 0.000 0.900 1020 Q HN 0.251 nan 8.270 nan 0.000 0.436 1021 F N -1.020 118.935 119.950 0.008 0.000 2.688 1021 F HA 0.390 4.938 4.527 0.034 0.000 0.310 1021 F C 0.728 176.536 175.800 0.014 0.000 1.098 1021 F CA 0.286 58.293 58.000 0.012 0.000 1.228 1021 F CB 1.099 40.107 39.000 0.013 0.000 1.042 1021 F HN 0.022 nan 8.300 nan 0.000 0.557 1022 G N 0.363 109.234 108.800 0.118 0.000 2.612 1022 G HA2 -0.162 3.819 3.960 0.034 0.000 0.686 1022 G HA3 -0.162 3.819 3.960 0.034 0.000 0.686 1022 G C 0.558 175.504 174.900 0.077 0.000 1.274 1022 G CA -0.754 44.396 45.100 0.083 0.000 0.849 1022 G HN -0.102 nan 8.290 nan 0.000 0.595 1023 K N 0.219 120.651 120.400 0.054 0.000 1.974 1023 K HA -0.153 4.188 4.320 0.034 0.000 0.231 1023 K C 2.433 179.064 176.600 0.051 0.000 1.035 1023 K CA 2.163 58.476 56.287 0.044 0.000 1.044 1023 K CB -0.998 31.523 32.500 0.034 0.000 0.738 1023 K HN 1.227 nan 8.250 nan 0.000 0.447 1024 G N 1.103 109.932 108.800 0.049 0.000 3.332 1024 G HA2 -0.006 3.974 3.960 0.034 0.000 0.242 1024 G HA3 -0.006 3.974 3.960 0.034 0.000 0.242 1024 G C 1.155 176.085 174.900 0.050 0.000 1.276 1024 G CA 0.561 45.688 45.100 0.045 0.000 0.988 1024 G HN 0.389 nan 8.290 nan 0.000 0.517 1025 S N -0.550 115.191 115.700 0.069 0.000 2.453 1025 S HA 0.160 4.651 4.470 0.034 0.000 0.231 1025 S C 0.678 175.304 174.600 0.045 0.000 1.005 1025 S CA 0.150 58.392 58.200 0.070 0.000 0.949 1025 S CB 0.266 63.546 63.200 0.133 0.000 0.774 1025 S HN 0.378 nan 8.310 nan 0.000 0.510 1026 I N 1.078 121.677 120.570 0.049 0.000 2.692 1026 I HA 0.591 4.782 4.170 0.034 0.000 0.293 1026 I C -1.356 174.779 176.117 0.031 0.000 1.200 1026 I CA -1.221 60.100 61.300 0.034 0.000 1.036 1026 I CB 1.953 39.975 38.000 0.037 0.000 1.258 1026 I HN 0.394 nan 8.210 nan 0.000 0.421 1027 M N 4.117 123.731 119.600 0.024 0.000 2.949 1027 M HA 0.577 5.077 4.480 0.034 0.000 0.270 1027 M C -1.285 175.024 176.300 0.015 0.000 1.221 1027 M CA -1.079 54.232 55.300 0.019 0.000 0.818 1027 M CB 1.448 34.059 32.600 0.018 0.000 1.635 1027 M HN 0.322 nan 8.290 nan 0.000 0.492 1028 R N 1.153 121.658 120.500 0.010 0.000 2.489 1028 R HA 0.255 4.616 4.340 0.034 0.000 0.287 1028 R C 0.978 177.277 176.300 -0.001 0.000 1.053 1028 R CA -0.083 56.019 56.100 0.004 0.000 1.036 1028 R CB 0.227 30.527 30.300 0.000 0.000 0.966 1028 R HN 0.690 nan 8.270 nan 0.000 0.432 1029 L N 2.364 123.581 121.223 -0.009 0.000 2.013 1029 L HA -0.184 4.177 4.340 0.034 0.000 0.212 1029 L C 1.917 178.775 176.870 -0.020 0.000 1.073 1029 L CA 2.147 56.974 54.840 -0.022 0.000 0.753 1029 L CB -0.550 41.481 42.059 -0.047 0.000 0.890 1029 L HN 1.005 nan 8.230 nan 0.000 0.432 1030 G N -0.191 108.597 108.800 -0.020 0.000 2.485 1030 G HA2 -0.272 3.708 3.960 0.034 0.000 0.221 1030 G HA3 -0.272 3.708 3.960 0.034 0.000 0.221 1030 G C 1.130 176.025 174.900 -0.010 0.000 1.115 1030 G CA 0.964 46.054 45.100 -0.017 0.000 0.751 1030 G HN 0.722 nan 8.290 nan 0.000 0.567 1031 E N -0.198 119.999 120.200 -0.006 0.000 2.501 1031 E HA 0.106 4.477 4.350 0.034 0.000 0.201 1031 E C -0.449 176.153 176.600 0.003 0.000 1.016 1031 E CA -0.414 55.986 56.400 -0.001 0.000 0.920 1031 E CB 0.337 30.038 29.700 0.001 0.000 1.023 1031 E HN 0.139 nan 8.360 nan 0.000 0.474 1032 D N 1.815 122.216 120.400 0.001 0.000 2.411 1032 D HA 0.075 4.736 4.640 0.034 0.000 0.225 1032 D C 0.771 177.075 176.300 0.007 0.000 1.156 1032 D CA -0.300 53.703 54.000 0.006 0.000 0.874 1032 D CB 0.710 41.513 40.800 0.006 0.000 1.034 1032 D HN -0.095 nan 8.370 nan 0.000 0.502 1033 R N 1.485 121.990 120.500 0.009 0.000 2.120 1033 R HA -0.093 4.267 4.340 0.034 0.000 0.234 1033 R C 1.895 178.203 176.300 0.014 0.000 1.123 1033 R CA 0.793 56.899 56.100 0.010 0.000 0.975 1033 R CB -0.877 29.428 30.300 0.010 0.000 0.866 1033 R HN 0.476 nan 8.270 nan 0.000 0.446 1034 S N -0.619 115.092 115.700 0.019 0.000 2.595 1034 S HA -0.074 4.416 4.470 0.034 0.000 0.235 1034 S C 1.697 176.315 174.600 0.029 0.000 0.974 1034 S CA 0.672 58.888 58.200 0.026 0.000 0.942 1034 S CB -0.017 63.203 63.200 0.034 0.000 0.766 1034 S HN 0.121 nan 8.310 nan 0.000 0.536 1035 M N 1.525 121.136 119.600 0.020 0.000 2.465 1035 M HA 0.314 4.815 4.480 0.034 0.000 0.249 1035 M C -0.728 175.578 176.300 0.012 0.000 1.130 1035 M CA 0.071 55.381 55.300 0.016 0.000 1.067 1035 M CB 0.207 32.808 32.600 0.002 0.000 1.394 1035 M HN 0.018 nan 8.290 nan 0.000 0.483 1036 D N 0.720 121.127 120.400 0.011 0.000 2.414 1036 D HA 0.071 4.732 4.640 0.034 0.000 0.242 1036 D C -0.439 175.868 176.300 0.011 0.000 1.129 1036 D CA 0.214 54.219 54.000 0.009 0.000 0.885 1036 D CB 0.991 41.795 40.800 0.008 0.000 1.198 1036 D HN -0.110 nan 8.370 nan 0.000 0.437 1037 V N 2.702 122.621 119.914 0.009 0.000 2.432 1037 V HA 0.107 4.248 4.120 0.034 0.000 0.271 1037 V C 0.591 176.687 176.094 0.004 0.000 1.046 1037 V CA -0.125 62.179 62.300 0.007 0.000 0.945 1037 V CB 0.862 32.686 31.823 0.002 0.000 0.992 1037 V HN 0.421 nan 8.190 nan 0.000 0.471 1038 E N 3.586 123.788 120.200 0.004 0.000 2.212 1038 E HA 0.627 4.997 4.350 0.034 0.000 0.268 1038 E C -0.589 176.009 176.600 -0.004 0.000 0.902 1038 E CA -0.490 55.910 56.400 0.000 0.000 0.779 1038 E CB 2.145 31.846 29.700 0.001 0.000 1.172 1038 E HN 0.795 nan 8.360 nan 0.000 0.409 1039 T N 0.959 115.509 114.554 -0.007 0.000 2.930 1039 T HA 0.610 4.981 4.350 0.034 0.000 0.290 1039 T C -0.337 174.353 174.700 -0.016 0.000 1.052 1039 T CA -0.865 61.228 62.100 -0.011 0.000 1.017 1039 T CB 1.110 69.971 68.868 -0.011 0.000 1.137 1039 T HN 0.258 nan 8.240 nan 0.000 0.511 1040 I N 1.746 122.304 120.570 -0.020 0.000 2.569 1040 I HA 0.452 4.643 4.170 0.034 0.000 0.296 1040 I C 0.752 176.850 176.117 -0.032 0.000 1.028 1040 I CA -0.734 60.549 61.300 -0.029 0.000 1.082 1040 I CB 1.874 39.857 38.000 -0.030 0.000 1.264 1040 I HN 0.964 nan 8.210 nan 0.000 0.429 1041 S N 2.655 118.328 115.700 -0.044 0.000 2.573 1041 S HA 0.088 4.578 4.470 0.034 0.000 0.277 1041 S C 1.296 175.863 174.600 -0.055 0.000 1.346 1041 S CA 0.371 58.542 58.200 -0.049 0.000 1.034 1041 S CB 0.453 63.605 63.200 -0.079 0.000 0.879 1041 S HN 0.792 nan 8.310 nan 0.000 0.528 1042 T N 0.918 115.443 114.554 -0.049 0.000 3.081 1042 T HA 0.374 4.744 4.350 0.034 0.000 0.250 1042 T C 1.470 176.116 174.700 -0.090 0.000 1.100 1042 T CA 0.644 62.710 62.100 -0.056 0.000 1.038 1042 T CB -0.257 68.584 68.868 -0.045 0.000 0.962 1042 T HN 1.604 nan 8.240 nan 0.000 0.516 1043 G N 0.844 109.581 108.800 -0.105 0.000 2.217 1043 G HA2 -0.238 3.743 3.960 0.034 0.000 0.246 1043 G HA3 -0.238 3.743 3.960 0.034 0.000 0.246 1043 G C 0.214 175.067 174.900 -0.078 0.000 0.990 1043 G CA 0.200 45.217 45.100 -0.139 0.000 0.627 1043 G HN 1.100 nan 8.290 nan 0.000 0.522 1044 S N -0.127 115.495 115.700 -0.130 0.000 2.449 1044 S HA 0.637 5.127 4.470 0.034 0.000 0.310 1044 S C 1.148 175.727 174.600 -0.035 0.000 1.096 1044 S CA 0.076 58.148 58.200 -0.213 0.000 1.095 1044 S CB 1.574 64.375 63.200 -0.664 0.000 1.007 1044 S HN 1.035 nan 8.310 nan 0.000 0.474 1045 L N 5.713 126.897 121.223 -0.065 0.000 2.072 1045 L HA 0.056 4.416 4.340 0.034 0.000 0.205 1045 L C 2.510 179.343 176.870 -0.061 0.000 1.079 1045 L CA 2.664 57.452 54.840 -0.087 0.000 0.752 1045 L CB -0.994 40.798 42.059 -0.446 0.000 0.906 1045 L HN 0.899 nan 8.230 nan 0.000 0.436 1046 S N -1.206 114.460 115.700 -0.057 0.000 2.406 1046 S HA -0.161 4.330 4.470 0.034 0.000 0.228 1046 S C 2.095 176.727 174.600 0.054 0.000 1.020 1046 S CA 1.154 59.365 58.200 0.018 0.000 0.965 1046 S CB -0.912 62.329 63.200 0.069 0.000 0.798 1046 S HN 0.493 nan 8.310 nan 0.000 0.488 1047 L N 1.452 122.710 121.223 0.059 0.000 2.027 1047 L HA -0.115 4.246 4.340 0.034 0.000 0.206 1047 L C 2.016 178.901 176.870 0.025 0.000 1.074 1047 L CA 2.019 56.897 54.840 0.064 0.000 0.745 1047 L CB -0.672 41.420 42.059 0.055 0.000 0.898 1047 L HN 0.244 nan 8.230 nan 0.000 0.433 1048 D N 0.116 120.522 120.400 0.010 0.000 2.158 1048 D HA -0.215 4.445 4.640 0.034 0.000 0.197 1048 D C 2.121 178.428 176.300 0.011 0.000 0.995 1048 D CA 1.386 55.392 54.000 0.010 0.000 0.846 1048 D CB -0.106 40.708 40.800 0.023 0.000 0.941 1048 D HN 0.378 nan 8.370 nan 0.000 0.456 1049 I N 0.750 121.328 120.570 0.014 0.000 2.286 1049 I HA -0.196 3.994 4.170 0.034 0.000 0.245 1049 I C 2.435 178.562 176.117 0.017 0.000 1.104 1049 I CA 0.880 62.189 61.300 0.016 0.000 1.397 1049 I CB -0.161 37.848 38.000 0.015 0.000 1.072 1049 I HN -0.080 nan 8.210 nan 0.000 0.417 1050 A N 0.777 123.611 122.820 0.023 0.000 1.940 1050 A HA -0.167 4.173 4.320 0.034 0.000 0.219 1050 A C 2.228 179.811 177.584 -0.002 0.000 1.176 1050 A CA 1.439 53.488 52.037 0.021 0.000 0.631 1050 A CB -0.925 18.097 19.000 0.035 0.000 0.814 1050 A HN 0.412 nan 8.150 nan 0.000 0.446 1051 L N -1.370 119.848 121.223 -0.008 0.000 2.456 1051 L HA 0.021 4.382 4.340 0.034 0.000 0.224 1051 L C 2.154 179.002 176.870 -0.035 0.000 1.148 1051 L CA 0.656 55.478 54.840 -0.030 0.000 0.825 1051 L CB -0.402 41.643 42.059 -0.024 0.000 0.937 1051 L HN 0.650 nan 8.230 nan 0.000 0.450 1052 G N -0.261 108.530 108.800 -0.016 0.000 2.609 1052 G HA2 -0.439 3.542 3.960 0.034 0.000 0.235 1052 G HA3 -0.439 3.542 3.960 0.034 0.000 0.235 1052 G C 1.070 175.967 174.900 -0.005 0.000 1.177 1052 G CA 0.524 45.618 45.100 -0.010 0.000 0.707 1052 G HN 0.469 nan 8.290 nan 0.000 0.513 1053 A N 0.277 123.088 122.820 -0.014 0.000 2.275 1053 A HA 0.578 4.919 4.320 0.034 0.000 0.212 1053 A C 2.502 180.084 177.584 -0.003 0.000 1.201 1053 A CA 1.880 53.911 52.037 -0.008 0.000 0.843 1053 A CB -0.389 18.600 19.000 -0.018 0.000 0.873 1053 A HN 2.599 nan 8.150 nan 0.000 0.492 1054 G N -2.934 105.865 108.800 -0.002 0.000 2.176 1054 G HA2 0.303 4.283 3.960 0.034 0.000 0.232 1054 G HA3 0.303 4.283 3.960 0.034 0.000 0.232 1054 G C 0.882 175.781 174.900 -0.001 0.000 0.986 1054 G CA 0.317 45.419 45.100 0.004 0.000 0.643 1054 G HN 2.124 nan 8.290 nan 0.000 0.522 1055 G N -1.379 107.415 108.800 -0.008 0.000 2.333 1055 G HA2 0.508 4.489 3.960 0.034 0.000 0.288 1055 G HA3 0.508 4.489 3.960 0.034 0.000 0.288 1055 G C -0.874 174.015 174.900 -0.017 0.000 1.286 1055 G CA -0.456 44.636 45.100 -0.013 0.000 0.865 1055 G HN 0.868 nan 8.290 nan 0.000 0.506 1056 L N 2.039 123.251 121.223 -0.018 0.000 2.371 1056 L HA 0.439 4.800 4.340 0.034 0.000 0.272 1056 L C -1.833 175.028 176.870 -0.015 0.000 1.124 1056 L CA -1.671 53.160 54.840 -0.016 0.000 0.816 1056 L CB 1.513 43.563 42.059 -0.015 0.000 1.129 1056 L HN 0.309 nan 8.230 nan 0.000 0.448 1057 P HA 0.170 nan 4.420 nan 0.000 0.286 1057 P C -0.734 176.565 177.300 -0.001 0.000 1.269 1057 P CA -0.563 62.533 63.100 -0.006 0.000 0.787 1057 P CB 0.986 32.682 31.700 -0.006 0.000 0.920 1058 M N 1.972 121.571 119.600 -0.001 0.000 2.248 1058 M HA 0.205 4.706 4.480 0.034 0.000 0.337 1058 M C 1.592 177.898 176.300 0.010 0.000 1.121 1058 M CA 0.862 56.162 55.300 -0.001 0.000 1.155 1058 M CB -0.808 31.791 32.600 -0.002 0.000 1.514 1058 M HN 0.832 nan 8.290 nan 0.000 0.452 1059 G N 2.361 111.166 108.800 0.008 0.000 2.143 1059 G HA2 -0.208 3.773 3.960 0.034 0.000 0.248 1059 G HA3 -0.208 3.773 3.960 0.034 0.000 0.248 1059 G C 0.152 175.073 174.900 0.035 0.000 0.991 1059 G CA -0.002 45.110 45.100 0.020 0.000 0.689 1059 G HN 0.552 nan 8.290 nan 0.000 0.522 1060 R N -1.036 119.483 120.500 0.032 0.000 2.930 1060 R HA 0.764 5.125 4.340 0.034 0.000 0.257 1060 R C 0.051 176.384 176.300 0.055 0.000 1.107 1060 R CA -1.120 55.013 56.100 0.055 0.000 0.999 1060 R CB 0.818 31.147 30.300 0.047 0.000 1.209 1060 R HN 0.197 nan 8.270 nan 0.000 0.486 1061 I N 0.694 121.323 120.570 0.099 0.000 2.392 1061 I HA 0.413 4.603 4.170 0.034 0.000 0.295 1061 I C -0.292 175.898 176.117 0.122 0.000 0.985 1061 I CA -0.909 60.470 61.300 0.133 0.000 1.221 1061 I CB 1.876 40.014 38.000 0.230 0.000 1.366 1061 I HN -0.039 nan 8.210 nan 0.000 0.467 1062 V N 5.219 125.203 119.914 0.116 0.000 2.789 1062 V HA 0.387 4.527 4.120 0.034 0.000 0.311 1062 V C -0.493 175.693 176.094 0.153 0.000 1.073 1062 V CA -0.642 61.716 62.300 0.096 0.000 0.921 1062 V CB 2.176 34.023 31.823 0.040 0.000 1.009 1062 V HN 0.733 nan 8.190 nan 0.000 0.426 1063 E N 3.622 123.911 120.200 0.148 0.000 2.199 1063 E HA 0.674 5.045 4.350 0.034 0.000 0.269 1063 E C -1.626 175.064 176.600 0.150 0.000 0.899 1063 E CA -0.623 55.889 56.400 0.186 0.000 0.772 1063 E CB 1.827 31.642 29.700 0.193 0.000 1.155 1063 E HN 0.621 nan 8.360 nan 0.000 0.408 1064 I N 5.079 125.737 120.570 0.147 0.000 2.436 1064 I HA 0.363 4.554 4.170 0.034 0.000 0.289 1064 I C -1.011 175.199 176.117 0.156 0.000 1.010 1064 I CA -0.972 60.378 61.300 0.083 0.000 1.098 1064 I CB 1.017 39.053 38.000 0.060 0.000 1.266 1064 I HN 0.494 nan 8.210 nan 0.000 0.434 1065 Y N 3.864 124.197 120.300 0.054 0.000 2.581 1065 Y HA 0.995 5.566 4.550 0.035 0.000 0.345 1065 Y C -0.270 175.678 175.900 0.079 0.000 1.036 1065 Y CA -1.102 57.029 58.100 0.051 0.000 1.042 1065 Y CB 1.969 40.443 38.460 0.023 0.000 1.289 1065 Y HN 0.703 nan 8.280 nan 0.000 0.471 1066 G N 0.721 109.698 108.800 0.296 0.000 2.316 1066 G HA2 0.452 4.432 3.960 0.034 0.000 0.296 1066 G HA3 0.452 4.432 3.960 0.034 0.000 0.296 1066 G C -3.543 171.562 174.900 0.342 0.000 1.399 1066 G CA -1.311 43.929 45.100 0.234 0.000 0.833 1066 G HN 0.503 nan 8.290 nan 0.000 0.565 1067 P HA 0.287 nan 4.420 nan 0.000 0.272 1067 P C -0.276 177.062 177.300 0.063 0.000 1.254 1067 P CA -0.265 62.949 63.100 0.190 0.000 0.795 1067 P CB 0.232 31.968 31.700 0.061 0.000 1.022 1068 E N -0.635 119.306 120.200 -0.432 0.000 2.413 1068 E HA 0.190 4.560 4.350 0.034 0.000 0.263 1068 E C 0.100 176.635 176.600 -0.109 0.000 1.015 1068 E CA -0.081 56.074 56.400 -0.409 0.000 0.916 1068 E CB -0.624 28.683 29.700 -0.655 0.000 0.947 1068 E HN 0.269 nan 8.360 nan 0.000 0.440 1069 S N 0.673 116.358 115.700 -0.024 0.000 3.587 1069 S HA -0.220 4.270 4.470 0.034 0.000 0.337 1069 S C 0.923 175.566 174.600 0.071 0.000 1.119 1069 S CA 0.984 59.192 58.200 0.013 0.000 0.976 1069 S CB -1.788 61.391 63.200 -0.034 0.000 0.922 1069 S HN 0.730 nan 8.310 nan 0.000 0.503 1070 S N -0.279 115.474 115.700 0.088 0.000 2.528 1070 S HA 0.446 4.937 4.470 0.034 0.000 0.219 1070 S C 1.499 176.169 174.600 0.117 0.000 0.985 1070 S CA 0.735 58.992 58.200 0.095 0.000 0.914 1070 S CB 0.568 63.820 63.200 0.087 0.000 0.776 1070 S HN 1.976 nan 8.310 nan 0.000 0.526 1071 G N 1.361 110.244 108.800 0.139 0.000 2.145 1071 G HA2 -0.186 3.795 3.960 0.034 0.000 0.145 1071 G HA3 -0.186 3.795 3.960 0.034 0.000 0.145 1071 G C 0.596 175.597 174.900 0.169 0.000 1.017 1071 G CA 0.108 45.312 45.100 0.173 0.000 0.682 1071 G HN 0.440 nan 8.290 nan 0.000 0.504 1072 K N -0.204 120.286 120.400 0.149 0.000 1.985 1072 K HA -0.057 4.284 4.320 0.034 0.000 0.210 1072 K C 2.553 179.245 176.600 0.153 0.000 1.047 1072 K CA 1.922 58.293 56.287 0.140 0.000 0.932 1072 K CB -0.372 32.209 32.500 0.135 0.000 0.716 1072 K HN 0.279 nan 8.250 nan 0.000 0.439 1073 T N 0.931 115.589 114.554 0.172 0.000 2.708 1073 T HA -0.137 4.234 4.350 0.034 0.000 0.266 1073 T C 2.011 176.831 174.700 0.199 0.000 1.037 1073 T CA 1.851 64.081 62.100 0.215 0.000 1.146 1073 T CB -0.474 68.523 68.868 0.215 0.000 0.865 1073 T HN 0.275 nan 8.240 nan 0.000 0.435 1074 T N 2.686 117.359 114.554 0.198 0.000 2.624 1074 T HA -0.111 4.259 4.350 0.034 0.000 0.268 1074 T C 1.868 176.649 174.700 0.135 0.000 1.041 1074 T CA 1.122 63.338 62.100 0.194 0.000 1.159 1074 T CB -0.621 68.396 68.868 0.248 0.000 0.863 1074 T HN 0.195 nan 8.240 nan 0.000 0.434 1075 L N 0.368 121.676 121.223 0.141 0.000 1.989 1075 L HA -0.202 4.159 4.340 0.034 0.000 0.211 1075 L C 2.698 179.611 176.870 0.070 0.000 1.071 1075 L CA 1.842 56.741 54.840 0.098 0.000 0.749 1075 L CB -0.928 41.206 42.059 0.125 0.000 0.890 1075 L HN 0.328 nan 8.230 nan 0.000 0.431 1076 T N 0.502 115.118 114.554 0.103 0.000 2.665 1076 T HA -0.250 4.121 4.350 0.034 0.000 0.268 1076 T C 1.894 176.664 174.700 0.117 0.000 1.035 1076 T CA 1.801 63.968 62.100 0.112 0.000 1.151 1076 T CB -0.270 68.697 68.868 0.165 0.000 0.862 1076 T HN 0.285 nan 8.240 nan 0.000 0.438 1077 L N 0.688 121.981 121.223 0.118 0.000 2.141 1077 L HA -0.085 4.275 4.340 0.034 0.000 0.209 1077 L C 2.963 179.831 176.870 -0.004 0.000 1.094 1077 L CA 0.945 55.815 54.840 0.050 0.000 0.763 1077 L CB -0.491 41.566 42.059 -0.002 0.000 0.908 1077 L HN 0.237 nan 8.230 nan 0.000 0.437 1078 Q N -0.397 119.397 119.800 -0.010 0.000 2.119 1078 Q HA -0.170 4.191 4.340 0.034 0.000 0.201 1078 Q C 2.445 178.410 176.000 -0.058 0.000 0.972 1078 Q CA 1.805 57.577 55.803 -0.051 0.000 0.847 1078 Q CB -0.538 28.162 28.738 -0.062 0.000 0.903 1078 Q HN 0.545 nan 8.270 nan 0.000 0.433 1079 V N -0.184 119.711 119.914 -0.031 0.000 2.358 1079 V HA -0.200 3.941 4.120 0.034 0.000 0.246 1079 V C 2.089 178.164 176.094 -0.031 0.000 1.047 1079 V CA 1.166 63.444 62.300 -0.036 0.000 1.035 1079 V CB -0.471 31.337 31.823 -0.024 0.000 0.658 1079 V HN 0.220 nan 8.190 nan 0.000 0.452 1080 I N 1.098 121.665 120.570 -0.005 0.000 2.163 1080 I HA -0.220 3.970 4.170 0.034 0.000 0.243 1080 I C 2.951 179.049 176.117 -0.032 0.000 1.085 1080 I CA 1.903 63.201 61.300 -0.003 0.000 1.347 1080 I CB -0.784 37.238 38.000 0.037 0.000 1.044 1080 I HN 0.441 nan 8.210 nan 0.000 0.408 1081 A N 0.666 123.456 122.820 -0.049 0.000 1.883 1081 A HA -0.233 4.108 4.320 0.034 0.000 0.217 1081 A C 2.538 180.072 177.584 -0.082 0.000 1.186 1081 A CA 2.120 54.114 52.037 -0.070 0.000 0.624 1081 A CB -0.994 17.953 19.000 -0.087 0.000 0.822 1081 A HN 0.459 nan 8.150 nan 0.000 0.444 1082 A N -0.301 122.461 122.820 -0.096 0.000 1.902 1082 A HA 0.139 4.480 4.320 0.034 0.000 0.217 1082 A C 2.509 180.042 177.584 -0.085 0.000 1.181 1082 A CA 2.221 54.189 52.037 -0.115 0.000 0.623 1082 A CB -1.008 17.912 19.000 -0.134 0.000 0.818 1082 A HN 1.092 nan 8.150 nan 0.000 0.443 1083 A N -0.756 122.025 122.820 -0.064 0.000 1.873 1083 A HA -0.202 4.139 4.320 0.034 0.000 0.215 1083 A C 2.127 179.685 177.584 -0.044 0.000 1.186 1083 A CA 1.611 53.619 52.037 -0.048 0.000 0.616 1083 A CB -0.585 18.393 19.000 -0.036 0.000 0.823 1083 A HN 0.645 nan 8.150 nan 0.000 0.442 1084 Q N -1.193 118.581 119.800 -0.044 0.000 2.124 1084 Q HA -0.175 4.185 4.340 0.034 0.000 0.202 1084 Q C 2.279 178.252 176.000 -0.045 0.000 0.977 1084 Q CA 1.492 57.271 55.803 -0.040 0.000 0.850 1084 Q CB -0.157 28.558 28.738 -0.039 0.000 0.901 1084 Q HN 0.562 nan 8.270 nan 0.000 0.429 1085 R N 1.132 121.597 120.500 -0.057 0.000 2.200 1085 R HA -0.128 4.232 4.340 0.034 0.000 0.234 1085 R C 0.812 177.079 176.300 -0.055 0.000 1.127 1085 R CA 1.134 57.196 56.100 -0.062 0.000 0.989 1085 R CB 0.189 30.438 30.300 -0.084 0.000 0.869 1085 R HN 0.269 nan 8.270 nan 0.000 0.459 1086 E N -1.587 118.583 120.200 -0.051 0.000 2.451 1086 E HA 0.169 4.540 4.350 0.034 0.000 0.194 1086 E C 0.426 177.006 176.600 -0.032 0.000 1.027 1086 E CA 0.338 56.713 56.400 -0.042 0.000 0.914 1086 E CB 0.906 30.579 29.700 -0.044 0.000 1.054 1086 E HN 0.482 nan 8.360 nan 0.000 0.461 1087 G N 2.198 110.980 108.800 -0.031 0.000 2.162 1087 G HA2 -0.315 3.666 3.960 0.034 0.000 0.260 1087 G HA3 -0.315 3.666 3.960 0.034 0.000 0.260 1087 G C 0.211 175.098 174.900 -0.022 0.000 0.976 1087 G CA 0.181 45.266 45.100 -0.024 0.000 0.655 1087 G HN 0.170 nan 8.290 nan 0.000 0.533 1088 K N 0.336 120.722 120.400 -0.024 0.000 2.126 1088 K HA 0.508 4.849 4.320 0.034 0.000 0.257 1088 K C 0.081 176.671 176.600 -0.018 0.000 1.007 1088 K CA 0.067 56.341 56.287 -0.021 0.000 0.928 1088 K CB 0.657 33.143 32.500 -0.023 0.000 1.013 1088 K HN 0.100 nan 8.250 nan 0.000 0.473 1089 T N 1.313 115.858 114.554 -0.015 0.000 2.794 1089 T HA 0.328 4.699 4.350 0.034 0.000 0.280 1089 T C -0.499 174.195 174.700 -0.010 0.000 0.987 1089 T CA -0.547 61.546 62.100 -0.011 0.000 0.993 1089 T CB 0.448 69.311 68.868 -0.009 0.000 0.939 1089 T HN 0.531 nan 8.240 nan 0.000 0.449 1090 C N 2.383 121.681 119.300 -0.004 0.000 2.614 1090 C HA 0.976 5.456 4.460 0.034 0.000 0.320 1090 C C 0.276 175.277 174.990 0.018 0.000 1.200 1090 C CA -0.884 58.136 59.018 0.004 0.000 1.700 1090 C CB 0.990 28.739 27.740 0.016 0.000 2.275 1090 C HN 1.039 nan 8.230 nan 0.000 0.492 1091 A N 1.218 124.049 122.820 0.018 0.000 2.435 1091 A HA 0.873 5.214 4.320 0.034 0.000 0.304 1091 A C -1.483 176.140 177.584 0.064 0.000 1.064 1091 A CA -0.267 51.789 52.037 0.032 0.000 0.727 1091 A CB 1.049 20.043 19.000 -0.010 0.000 1.284 1091 A HN 0.825 nan 8.150 nan 0.000 0.415 1092 F N 3.158 123.072 119.950 -0.061 0.000 2.499 1092 F HA 0.556 5.104 4.527 0.034 0.000 0.333 1092 F C -0.783 174.972 175.800 -0.075 0.000 1.138 1092 F CA -0.820 57.141 58.000 -0.066 0.000 0.945 1092 F CB 1.331 40.301 39.000 -0.050 0.000 1.181 1092 F HN 0.371 nan 8.300 nan 0.000 0.435 1093 I N 4.871 125.245 120.570 -0.326 0.000 2.282 1093 I HA 0.117 4.308 4.170 0.034 0.000 0.290 1093 I C -0.095 175.901 176.117 -0.201 0.000 1.090 1093 I CA -0.336 60.847 61.300 -0.196 0.000 1.231 1093 I CB 0.463 38.337 38.000 -0.210 0.000 1.434 1093 I HN 0.510 nan 8.210 nan 0.000 0.487 1094 D N 5.345 125.767 120.400 0.037 0.000 2.619 1094 D HA 0.326 4.986 4.640 0.034 0.000 0.224 1094 D C 1.272 177.506 176.300 -0.110 0.000 1.133 1094 D CA -0.043 54.019 54.000 0.102 0.000 1.017 1094 D CB 0.771 41.683 40.800 0.186 0.000 1.077 1094 D HN 0.589 nan 8.370 nan 0.000 0.503 1095 A N 2.305 125.090 122.820 -0.058 0.000 2.015 1095 A HA -0.116 4.225 4.320 0.034 0.000 0.219 1095 A C 1.927 179.631 177.584 0.200 0.000 1.163 1095 A CA 0.798 52.847 52.037 0.021 0.000 0.646 1095 A CB -0.222 18.802 19.000 0.039 0.000 0.806 1095 A HN 0.514 nan 8.150 nan 0.000 0.448 1096 E N -1.053 119.228 120.200 0.134 0.000 2.427 1096 E HA -0.082 4.289 4.350 0.034 0.000 0.196 1096 E C -0.543 176.233 176.600 0.293 0.000 1.028 1096 E CA 0.045 56.548 56.400 0.172 0.000 0.864 1096 E CB -0.164 29.562 29.700 0.043 0.000 0.813 1096 E HN 0.695 nan 8.360 nan 0.000 0.514 1097 H N -1.952 117.181 119.070 0.105 0.000 2.677 1097 H HA -0.206 4.371 4.556 0.034 0.000 0.321 1097 H C -0.094 175.284 175.328 0.083 0.000 1.171 1097 H CA 0.523 56.628 56.048 0.095 0.000 1.139 1097 H CB -1.307 28.510 29.762 0.091 0.000 1.515 1097 H HN 0.238 nan 8.280 nan 0.000 0.423 1098 A N 0.633 123.536 122.820 0.139 0.000 2.622 1098 A HA 0.247 4.587 4.320 0.034 0.000 0.283 1098 A C 0.221 177.835 177.584 0.050 0.000 0.998 1098 A CA -0.460 51.634 52.037 0.094 0.000 0.985 1098 A CB 0.666 19.719 19.000 0.089 0.000 1.236 1098 A HN 0.146 nan 8.150 nan 0.000 0.559 1099 L N 1.233 122.473 121.223 0.030 0.000 2.360 1099 L HA 0.456 4.817 4.340 0.034 0.000 0.276 1099 L C -0.512 176.331 176.870 -0.045 0.000 1.121 1099 L CA 0.134 54.941 54.840 -0.055 0.000 0.845 1099 L CB 0.681 42.631 42.059 -0.183 0.000 1.143 1099 L HN 0.229 nan 8.230 nan 0.000 0.452 1100 D N 7.313 127.696 120.400 -0.028 0.000 2.428 1100 D HA 0.301 4.961 4.640 0.034 0.000 0.221 1100 D C -1.791 174.514 176.300 0.007 0.000 1.123 1100 D CA -2.223 51.780 54.000 0.005 0.000 0.869 1100 D CB 1.465 42.283 40.800 0.029 0.000 1.032 1100 D HN 0.350 nan 8.370 nan 0.000 0.506 1101 P HA -0.160 nan 4.420 nan 0.000 0.215 1101 P C 1.687 178.977 177.300 -0.017 0.000 1.153 1101 P CA 0.615 63.689 63.100 -0.043 0.000 0.853 1101 P CB 0.537 32.214 31.700 -0.037 0.000 0.788 1102 I N -1.586 118.993 120.570 0.015 0.000 2.208 1102 I HA -0.250 3.941 4.170 0.034 0.000 0.245 1102 I C 2.675 178.824 176.117 0.055 0.000 1.097 1102 I CA 1.447 62.764 61.300 0.028 0.000 1.363 1102 I CB -1.174 36.849 38.000 0.038 0.000 1.051 1102 I HN -0.144 nan 8.210 nan 0.000 0.413 1103 Y N 1.105 121.380 120.300 -0.041 0.000 2.181 1103 Y HA -0.238 4.332 4.550 0.034 0.000 0.288 1103 Y C 2.471 178.344 175.900 -0.044 0.000 1.146 1103 Y CA 1.301 59.381 58.100 -0.034 0.000 1.164 1103 Y CB -0.631 37.809 38.460 -0.034 0.000 0.982 1103 Y HN 0.146 nan 8.280 nan 0.000 0.515 1104 A N 0.530 123.308 122.820 -0.071 0.000 1.917 1104 A HA -0.248 4.093 4.320 0.034 0.000 0.219 1104 A C 2.436 179.915 177.584 -0.174 0.000 1.182 1104 A CA 1.905 53.846 52.037 -0.160 0.000 0.633 1104 A CB -0.787 18.121 19.000 -0.153 0.000 0.819 1104 A HN 0.476 nan 8.150 nan 0.000 0.448 1105 R N -0.152 120.274 120.500 -0.124 0.000 2.081 1105 R HA -0.136 4.225 4.340 0.034 0.000 0.235 1105 R C 2.089 178.311 176.300 -0.130 0.000 1.131 1105 R CA 1.834 57.872 56.100 -0.104 0.000 0.960 1105 R CB -0.285 29.977 30.300 -0.064 0.000 0.856 1105 R HN 0.565 nan 8.270 nan 0.000 0.436 1106 K N 0.291 120.590 120.400 -0.169 0.000 2.152 1106 K HA -0.102 4.238 4.320 0.034 0.000 0.206 1106 K C 1.799 178.261 176.600 -0.229 0.000 1.048 1106 K CA 1.044 57.221 56.287 -0.183 0.000 0.933 1106 K CB -0.084 32.300 32.500 -0.194 0.000 0.721 1106 K HN 0.243 nan 8.250 nan 0.000 0.447 1107 L N 0.024 121.053 121.223 -0.323 0.000 2.650 1107 L HA 0.075 4.435 4.340 0.034 0.000 0.235 1107 L C 0.985 177.762 176.870 -0.155 0.000 1.149 1107 L CA 0.327 55.016 54.840 -0.251 0.000 0.887 1107 L CB -0.323 41.562 42.059 -0.291 0.000 1.021 1107 L HN 0.421 nan 8.230 nan 0.000 0.441 1108 G N -0.008 108.713 108.800 -0.132 0.000 2.136 1108 G HA2 -0.242 3.738 3.960 0.034 0.000 0.242 1108 G HA3 -0.242 3.738 3.960 0.034 0.000 0.242 1108 G C 0.199 175.044 174.900 -0.091 0.000 0.989 1108 G CA -0.023 45.018 45.100 -0.099 0.000 0.682 1108 G HN 0.123 nan 8.290 nan 0.000 0.522 1109 V N 1.027 120.882 119.914 -0.100 0.000 2.614 1109 V HA 0.330 4.471 4.120 0.034 0.000 0.291 1109 V C 0.769 176.821 176.094 -0.070 0.000 1.049 1109 V CA 0.005 62.255 62.300 -0.083 0.000 1.038 1109 V CB 1.658 33.423 31.823 -0.096 0.000 0.980 1109 V HN 0.352 nan 8.190 nan 0.000 0.481 1110 D N 4.467 124.833 120.400 -0.056 0.000 2.455 1110 D HA 0.079 4.740 4.640 0.034 0.000 0.234 1110 D C 1.106 177.380 176.300 -0.043 0.000 1.224 1110 D CA -0.255 53.717 54.000 -0.046 0.000 0.999 1110 D CB 0.325 41.102 40.800 -0.038 0.000 1.072 1110 D HN 0.289 nan 8.370 nan 0.000 0.514 1111 I N 2.426 122.967 120.570 -0.049 0.000 2.194 1111 I HA -0.259 3.932 4.170 0.034 0.000 0.246 1111 I C 1.564 177.660 176.117 -0.034 0.000 1.093 1111 I CA 1.172 62.442 61.300 -0.049 0.000 1.355 1111 I CB -0.569 37.403 38.000 -0.048 0.000 1.046 1111 I HN 0.386 nan 8.210 nan 0.000 0.413 1112 D N 0.311 120.694 120.400 -0.027 0.000 2.310 1112 D HA -0.102 4.559 4.640 0.034 0.000 0.212 1112 D C 1.421 177.712 176.300 -0.015 0.000 0.965 1112 D CA 0.751 54.739 54.000 -0.019 0.000 0.879 1112 D CB -0.125 40.664 40.800 -0.017 0.000 0.921 1112 D HN 0.402 nan 8.370 nan 0.000 0.510 1113 N N -0.039 118.650 118.700 -0.017 0.000 2.171 1113 N HA 0.045 4.806 4.740 0.034 0.000 0.212 1113 N C 0.104 175.609 175.510 -0.009 0.000 1.184 1113 N CA -0.177 52.865 53.050 -0.012 0.000 0.888 1113 N CB 1.471 39.949 38.487 -0.014 0.000 1.038 1113 N HN 0.171 nan 8.380 nan 0.000 0.517 1114 L N 2.617 123.833 121.223 -0.011 0.000 2.325 1114 L HA 0.301 4.662 4.340 0.034 0.000 0.284 1114 L C -0.262 176.615 176.870 0.012 0.000 1.089 1114 L CA -0.169 54.671 54.840 -0.000 0.000 0.836 1114 L CB 0.313 42.362 42.059 -0.017 0.000 1.184 1114 L HN -0.063 nan 8.230 nan 0.000 0.444 1115 L N 5.290 126.526 121.223 0.023 0.000 2.455 1115 L HA 0.121 4.482 4.340 0.034 0.000 0.272 1115 L C 0.058 176.959 176.870 0.053 0.000 1.174 1115 L CA 0.138 54.994 54.840 0.027 0.000 0.869 1115 L CB 0.945 43.016 42.059 0.020 0.000 1.130 1115 L HN 0.664 nan 8.230 nan 0.000 0.474 1116 C N 2.913 122.239 119.300 0.044 0.000 2.609 1116 C HA 0.704 5.184 4.460 0.034 0.000 0.313 1116 C C -0.273 174.740 174.990 0.038 0.000 1.175 1116 C CA -0.348 58.711 59.018 0.068 0.000 1.434 1116 C CB 1.741 29.505 27.740 0.040 0.000 2.005 1116 C HN 0.828 nan 8.230 nan 0.000 0.471 1117 S N 3.585 119.306 115.700 0.036 0.000 2.575 1117 S HA 0.559 5.050 4.470 0.034 0.000 0.278 1117 S C -1.390 173.178 174.600 -0.054 0.000 1.139 1117 S CA -0.300 57.892 58.200 -0.012 0.000 0.954 1117 S CB 1.432 64.612 63.200 -0.034 0.000 1.054 1117 S HN 0.842 nan 8.310 nan 0.000 0.483 1118 Q N 4.399 124.145 119.800 -0.089 0.000 2.571 1118 Q HA 0.346 4.707 4.340 0.034 0.000 0.243 1118 Q C -2.377 173.564 176.000 -0.098 0.000 1.055 1118 Q CA -1.887 53.779 55.803 -0.229 0.000 0.815 1118 Q CB 1.440 29.986 28.738 -0.320 0.000 1.151 1118 Q HN 0.512 nan 8.270 nan 0.000 0.519 1119 P HA 0.088 nan 4.420 nan 0.000 0.276 1119 P C -0.289 177.041 177.300 0.050 0.000 1.244 1119 P CA -0.216 62.852 63.100 -0.053 0.000 0.801 1119 P CB 1.396 33.021 31.700 -0.124 0.000 1.006 1120 D N -0.643 119.765 120.400 0.012 0.000 2.162 1120 D HA -0.016 4.645 4.640 0.034 0.000 0.205 1120 D C 0.995 177.311 176.300 0.026 0.000 0.964 1120 D CA 1.538 55.566 54.000 0.047 0.000 0.847 1120 D CB -0.060 40.763 40.800 0.039 0.000 0.988 1120 D HN 0.534 nan 8.370 nan 0.000 0.480 1121 T N -3.792 110.752 114.554 -0.016 0.000 2.916 1121 T HA 0.547 4.918 4.350 0.034 0.000 0.292 1121 T C 1.343 176.021 174.700 -0.036 0.000 1.064 1121 T CA -0.389 61.699 62.100 -0.019 0.000 1.011 1121 T CB 1.892 70.748 68.868 -0.020 0.000 1.152 1121 T HN -0.064 nan 8.240 nan 0.000 0.510 1122 G N 0.360 109.147 108.800 -0.023 0.000 2.418 1122 G HA2 -0.137 3.844 3.960 0.034 0.000 0.217 1122 G HA3 -0.137 3.844 3.960 0.034 0.000 0.217 1122 G C 1.071 175.949 174.900 -0.038 0.000 1.158 1122 G CA 0.857 45.944 45.100 -0.022 0.000 0.771 1122 G HN 0.819 nan 8.290 nan 0.000 0.545 1123 E N -0.086 120.092 120.200 -0.037 0.000 2.077 1123 E HA -0.119 4.252 4.350 0.034 0.000 0.193 1123 E C 2.417 178.977 176.600 -0.067 0.000 0.989 1123 E CA 1.221 57.605 56.400 -0.027 0.000 0.800 1123 E CB -0.231 29.469 29.700 0.000 0.000 0.746 1123 E HN 0.630 nan 8.360 nan 0.000 0.452 1124 Q N 0.295 120.005 119.800 -0.150 0.000 2.050 1124 Q HA -0.214 4.147 4.340 0.034 0.000 0.202 1124 Q C 2.167 177.934 176.000 -0.388 0.000 0.980 1124 Q CA 1.638 57.175 55.803 -0.442 0.000 0.840 1124 Q CB -0.217 28.211 28.738 -0.517 0.000 0.898 1124 Q HN 0.304 nan 8.270 nan 0.000 0.424 1125 A N 0.768 123.460 122.820 -0.214 0.000 1.892 1125 A HA -0.202 4.138 4.320 0.034 0.000 0.218 1125 A C 2.036 179.560 177.584 -0.100 0.000 1.188 1125 A CA 1.648 53.598 52.037 -0.144 0.000 0.631 1125 A CB -0.763 18.195 19.000 -0.071 0.000 0.822 1125 A HN 0.471 nan 8.150 nan 0.000 0.447 1126 L N -1.212 119.978 121.223 -0.055 0.000 2.179 1126 L HA -0.062 4.299 4.340 0.034 0.000 0.208 1126 L C 2.548 179.414 176.870 -0.008 0.000 1.096 1126 L CA 0.771 55.609 54.840 -0.004 0.000 0.779 1126 L CB -0.410 41.664 42.059 0.025 0.000 0.922 1126 L HN 0.268 nan 8.230 nan 0.000 0.443 1127 E N 0.520 120.710 120.200 -0.018 0.000 2.110 1127 E HA -0.156 4.214 4.350 0.034 0.000 0.193 1127 E C 2.275 178.910 176.600 0.058 0.000 0.988 1127 E CA 1.171 57.606 56.400 0.059 0.000 0.804 1127 E CB -0.043 29.772 29.700 0.192 0.000 0.745 1127 E HN 0.498 nan 8.360 nan 0.000 0.458 1128 I N 0.108 120.652 120.570 -0.042 0.000 2.202 1128 I HA -0.318 3.872 4.170 0.034 0.000 0.242 1128 I C 2.524 178.630 176.117 -0.018 0.000 1.091 1128 I CA 0.636 61.923 61.300 -0.020 0.000 1.368 1128 I CB -0.274 37.665 38.000 -0.102 0.000 1.058 1128 I HN 0.125 nan 8.210 nan 0.000 0.410 1129 C N 0.513 119.785 119.300 -0.046 0.000 2.398 1129 C HA -0.251 4.230 4.460 0.034 0.000 0.276 1129 C C 2.587 177.561 174.990 -0.026 0.000 1.222 1129 C CA 1.485 60.469 59.018 -0.055 0.000 1.746 1129 C CB -1.015 26.684 27.740 -0.068 0.000 2.039 1129 C HN 0.547 nan 8.230 nan 0.000 0.470 1130 D N 0.260 120.659 120.400 -0.001 0.000 2.097 1130 D HA -0.079 4.581 4.640 0.034 0.000 0.195 1130 D C 2.204 178.513 176.300 0.016 0.000 0.989 1130 D CA 1.674 55.679 54.000 0.009 0.000 0.827 1130 D CB -0.251 40.564 40.800 0.024 0.000 0.966 1130 D HN 0.411 nan 8.370 nan 0.000 0.456 1131 A N 0.014 122.855 122.820 0.036 0.000 1.902 1131 A HA -0.114 4.226 4.320 0.034 0.000 0.217 1131 A C 2.421 180.018 177.584 0.023 0.000 1.181 1131 A CA 1.084 53.147 52.037 0.042 0.000 0.623 1131 A CB -0.773 18.275 19.000 0.079 0.000 0.818 1131 A HN 0.343 nan 8.150 nan 0.000 0.443 1132 L N -0.980 120.250 121.223 0.010 0.000 2.056 1132 L HA -0.151 4.210 4.340 0.034 0.000 0.207 1132 L C 3.130 179.994 176.870 -0.010 0.000 1.078 1132 L CA 0.929 55.767 54.840 -0.003 0.000 0.749 1132 L CB -0.631 41.417 42.059 -0.017 0.000 0.901 1132 L HN 0.437 nan 8.230 nan 0.000 0.433 1133 A N 0.307 123.117 122.820 -0.017 0.000 1.865 1133 A HA -0.237 4.103 4.320 0.034 0.000 0.217 1133 A C 2.382 179.961 177.584 -0.010 0.000 1.191 1133 A CA 1.694 53.720 52.037 -0.020 0.000 0.623 1133 A CB -0.586 18.398 19.000 -0.026 0.000 0.826 1133 A HN 0.303 nan 8.150 nan 0.000 0.444 1134 R N 0.076 120.574 120.500 -0.003 0.000 2.152 1134 R HA -0.119 4.242 4.340 0.034 0.000 0.232 1134 R C 2.548 178.851 176.300 0.005 0.000 1.117 1134 R CA 1.491 57.592 56.100 0.002 0.000 0.981 1134 R CB -0.375 29.930 30.300 0.008 0.000 0.870 1134 R HN 0.768 nan 8.270 nan 0.000 0.451 1135 S N -0.638 115.065 115.700 0.005 0.000 2.423 1135 S HA -0.053 4.438 4.470 0.034 0.000 0.231 1135 S C 1.640 176.242 174.600 0.004 0.000 1.014 1135 S CA 0.977 59.181 58.200 0.006 0.000 0.965 1135 S CB -0.095 63.109 63.200 0.007 0.000 0.785 1135 S HN 0.504 nan 8.310 nan 0.000 0.495 1136 G N 0.608 109.409 108.800 0.001 0.000 2.155 1136 G HA2 -0.179 3.802 3.960 0.034 0.000 0.257 1136 G HA3 -0.179 3.802 3.960 0.034 0.000 0.257 1136 G C 0.662 175.561 174.900 -0.001 0.000 0.983 1136 G CA 0.244 45.344 45.100 0.000 0.000 0.676 1136 G HN 1.447 nan 8.290 nan 0.000 0.528 1137 A N -1.182 121.637 122.820 -0.002 0.000 2.343 1137 A HA 0.699 5.040 4.320 0.034 0.000 0.223 1137 A C 0.804 178.385 177.584 -0.006 0.000 1.214 1137 A CA 1.053 53.088 52.037 -0.003 0.000 0.900 1137 A CB 0.745 19.745 19.000 -0.000 0.000 0.942 1137 A HN 0.968 nan 8.150 nan 0.000 0.507 1138 V N 0.697 120.605 119.914 -0.009 0.000 2.513 1138 V HA 0.263 4.404 4.120 0.034 0.000 0.299 1138 V C 0.078 176.160 176.094 -0.019 0.000 1.035 1138 V CA -0.540 61.751 62.300 -0.014 0.000 0.889 1138 V CB 1.717 33.529 31.823 -0.018 0.000 0.988 1138 V HN 0.377 nan 8.190 nan 0.000 0.440 1139 D N 1.694 122.082 120.400 -0.020 0.000 2.338 1139 D HA 0.088 4.749 4.640 0.034 0.000 0.224 1139 D C 0.336 176.618 176.300 -0.030 0.000 0.967 1139 D CA 1.205 55.192 54.000 -0.022 0.000 0.896 1139 D CB 1.555 42.344 40.800 -0.019 0.000 1.028 1139 D HN 0.405 nan 8.370 nan 0.000 0.493 1140 V N 0.789 120.682 119.914 -0.034 0.000 2.709 1140 V HA 0.518 4.659 4.120 0.034 0.000 0.308 1140 V C -1.519 174.538 176.094 -0.061 0.000 1.062 1140 V CA -0.714 61.557 62.300 -0.048 0.000 0.901 1140 V CB 2.172 33.971 31.823 -0.039 0.000 1.003 1140 V HN -0.091 nan 8.190 nan 0.000 0.425 1141 I N 6.532 127.039 120.570 -0.106 0.000 2.465 1141 I HA 0.629 4.819 4.170 0.034 0.000 0.291 1141 I C -0.561 175.414 176.117 -0.237 0.000 1.014 1141 I CA -1.036 60.172 61.300 -0.153 0.000 1.093 1141 I CB 2.025 39.919 38.000 -0.176 0.000 1.267 1141 I HN 0.635 nan 8.210 nan 0.000 0.431 1142 V N 7.144 126.885 119.914 -0.289 0.000 2.495 1142 V HA 0.571 4.712 4.120 0.034 0.000 0.298 1142 V C -0.801 174.922 176.094 -0.617 0.000 1.031 1142 V CA -0.356 61.686 62.300 -0.429 0.000 0.871 1142 V CB 1.997 33.616 31.823 -0.340 0.000 0.988 1142 V HN 0.443 nan 8.190 nan 0.000 0.432 1143 V N 5.996 125.583 119.914 -0.545 0.000 2.333 1143 V HA 0.385 4.526 4.120 0.034 0.000 0.274 1143 V C -0.010 175.898 176.094 -0.310 0.000 1.028 1143 V CA -0.341 61.707 62.300 -0.421 0.000 0.851 1143 V CB 1.169 32.797 31.823 -0.325 0.000 1.000 1143 V HN 0.958 nan 8.190 nan 0.000 0.456 1144 D N 3.702 123.878 120.400 -0.374 0.000 2.393 1144 D HA 0.294 4.955 4.640 0.034 0.000 0.232 1144 D C 0.014 176.283 176.300 -0.051 0.000 1.192 1144 D CA 0.652 54.541 54.000 -0.184 0.000 0.882 1144 D CB 0.741 41.490 40.800 -0.085 0.000 1.038 1144 D HN 0.629 nan 8.370 nan 0.000 0.499 1145 S N 1.310 117.000 115.700 -0.017 0.000 3.027 1145 S HA -0.163 4.328 4.470 0.034 0.000 0.809 1145 S C 1.083 175.696 174.600 0.021 0.000 0.729 1145 S CA 0.297 58.486 58.200 -0.018 0.000 1.515 1145 S CB -0.861 62.294 63.200 -0.075 0.000 1.062 1145 S HN 0.496 nan 8.310 nan 0.000 0.682 1146 V N 2.924 122.860 119.914 0.036 0.000 2.626 1146 V HA 0.026 4.167 4.120 0.034 0.000 0.252 1146 V C 2.240 178.322 176.094 -0.019 0.000 1.067 1146 V CA 2.446 64.751 62.300 0.007 0.000 1.081 1146 V CB -0.915 30.855 31.823 -0.088 0.000 0.686 1146 V HN 1.454 nan 8.190 nan 0.000 0.468 1147 A N 0.464 123.258 122.820 -0.043 0.000 2.024 1147 A HA 0.139 4.480 4.320 0.034 0.000 0.220 1147 A C 2.334 179.969 177.584 0.084 0.000 1.164 1147 A CA 1.975 53.998 52.037 -0.023 0.000 0.643 1147 A CB -0.814 18.120 19.000 -0.109 0.000 0.806 1147 A HN 1.157 nan 8.150 nan 0.000 0.451 1148 A N -1.428 121.444 122.820 0.086 0.000 2.275 1148 A HA 0.442 4.783 4.320 0.034 0.000 0.212 1148 A C 0.416 178.069 177.584 0.115 0.000 1.201 1148 A CA -0.104 52.037 52.037 0.174 0.000 0.843 1148 A CB -0.126 18.976 19.000 0.171 0.000 0.873 1148 A HN 0.268 nan 8.150 nan 0.000 0.492 1149 L N 2.440 123.700 121.223 0.062 0.000 2.448 1149 L HA 0.190 4.550 4.340 0.034 0.000 0.278 1149 L C -0.050 176.831 176.870 0.018 0.000 1.201 1149 L CA 0.719 55.580 54.840 0.035 0.000 1.036 1149 L CB -0.601 41.469 42.059 0.018 0.000 1.325 1149 L HN 0.088 nan 8.230 nan 0.000 0.441 1150 T N 4.836 119.402 114.554 0.020 0.000 2.743 1150 T HA 0.343 4.714 4.350 0.034 0.000 0.293 1150 T C -2.277 172.404 174.700 -0.032 0.000 0.945 1150 T CA -1.389 60.708 62.100 -0.005 0.000 1.030 1150 T CB 0.946 69.813 68.868 -0.001 0.000 0.912 1150 T HN 0.203 nan 8.240 nan 0.000 0.483 1151 P HA 0.046 nan 4.420 nan 0.000 0.266 1151 P C 1.050 178.291 177.300 -0.098 0.000 1.193 1151 P CA -0.322 62.732 63.100 -0.077 0.000 0.770 1151 P CB 0.710 32.350 31.700 -0.100 0.000 0.836 1152 K N 2.986 123.342 120.400 -0.073 0.000 2.074 1152 K HA -0.243 4.098 4.320 0.034 0.000 0.209 1152 K C 1.725 178.268 176.600 -0.096 0.000 1.048 1152 K CA 2.038 58.289 56.287 -0.059 0.000 0.926 1152 K CB -0.608 31.875 32.500 -0.028 0.000 0.713 1152 K HN 0.485 nan 8.250 nan 0.000 0.444 1153 A N 1.093 123.830 122.820 -0.139 0.000 1.933 1153 A HA -0.218 4.122 4.320 0.034 0.000 0.218 1153 A C 1.977 179.336 177.584 -0.376 0.000 1.175 1153 A CA 1.892 53.815 52.037 -0.190 0.000 0.628 1153 A CB -0.470 18.430 19.000 -0.166 0.000 0.814 1153 A HN 0.601 nan 8.150 nan 0.000 0.444 1154 E N -0.375 119.513 120.200 -0.521 0.000 2.046 1154 E HA -0.119 4.252 4.350 0.034 0.000 0.190 1154 E C 1.810 178.314 176.600 -0.160 0.000 0.982 1154 E CA 1.021 57.089 56.400 -0.553 0.000 0.800 1154 E CB -0.215 29.266 29.700 -0.366 0.000 0.756 1154 E HN 0.612 nan 8.360 nan 0.000 0.449 1155 I N 1.054 121.560 120.570 -0.107 0.000 2.286 1155 I HA -0.260 3.931 4.170 0.034 0.000 0.248 1155 I C 2.070 178.175 176.117 -0.021 0.000 1.115 1155 I CA 1.422 62.696 61.300 -0.044 0.000 1.392 1155 I CB -0.057 37.923 38.000 -0.033 0.000 1.065 1155 I HN 0.184 nan 8.210 nan 0.000 0.418 1156 E N 0.205 120.388 120.200 -0.028 0.000 2.230 1156 E HA 0.018 4.389 4.350 0.034 0.000 0.192 1156 E C 1.350 177.963 176.600 0.022 0.000 0.987 1156 E CA 0.374 56.772 56.400 -0.003 0.000 0.841 1156 E CB -0.119 29.577 29.700 -0.006 0.000 0.783 1156 E HN 0.498 nan 8.360 nan 0.000 0.481 1157 G N 1.042 109.866 108.800 0.040 0.000 2.684 1157 G HA2 0.025 4.006 3.960 0.034 0.000 0.255 1157 G HA3 0.025 4.006 3.960 0.034 0.000 0.255 1157 G C -0.172 174.790 174.900 0.104 0.000 1.219 1157 G CA -0.497 44.672 45.100 0.116 0.000 0.901 1157 G HN 0.004 nan 8.290 nan 0.000 0.548 1158 E N -1.239 119.023 120.200 0.103 0.000 2.342 1158 E HA 0.217 4.588 4.350 0.034 0.000 0.257 1158 E C 0.027 176.679 176.600 0.088 0.000 1.150 1158 E CA -0.385 56.066 56.400 0.084 0.000 0.926 1158 E CB 1.500 31.243 29.700 0.072 0.000 1.074 1158 E HN 0.236 nan 8.360 nan 0.000 0.449 1159 I N 1.277 121.891 120.570 0.073 0.000 2.517 1159 I HA 0.060 4.251 4.170 0.034 0.000 0.285 1159 I C 1.191 177.331 176.117 0.037 0.000 1.106 1159 I CA 0.917 62.248 61.300 0.052 0.000 1.402 1159 I CB 0.343 38.366 38.000 0.038 0.000 1.399 1159 I HN 0.890 nan 8.210 nan 0.000 0.535 1160 G N 4.093 112.903 108.800 0.016 0.000 2.195 1160 G HA2 -0.201 3.780 3.960 0.034 0.000 0.224 1160 G HA3 -0.201 3.780 3.960 0.034 0.000 0.224 1160 G C -0.049 174.825 174.900 -0.044 0.000 0.990 1160 G CA -0.597 44.497 45.100 -0.009 0.000 0.639 1160 G HN 0.558 nan 8.290 nan 0.000 0.514 1161 D N 1.690 122.055 120.400 -0.059 0.000 2.389 1161 D HA 0.475 5.136 4.640 0.034 0.000 0.247 1161 D C 0.858 176.936 176.300 -0.369 0.000 1.128 1161 D CA 0.847 54.736 54.000 -0.185 0.000 0.884 1161 D CB 1.323 42.032 40.800 -0.151 0.000 1.194 1161 D HN 0.486 nan 8.370 nan 0.000 0.441 1162 S N 2.224 117.699 115.700 -0.376 0.000 2.475 1162 S HA 0.288 4.778 4.470 0.034 0.000 0.281 1162 S C -0.074 174.238 174.600 -0.479 0.000 1.198 1162 S CA -0.777 57.234 58.200 -0.316 0.000 1.063 1162 S CB 0.852 63.966 63.200 -0.142 0.000 0.972 1162 S HN 0.383 nan 8.310 nan 0.000 0.486 1163 H N 2.651 121.720 119.070 -0.001 0.000 2.429 1163 H HA 0.245 4.822 4.556 0.034 0.000 0.237 1163 H C -0.269 175.057 175.328 -0.004 0.000 1.378 1163 H CA -0.703 55.343 56.048 -0.003 0.000 1.170 1163 H CB 0.103 29.863 29.762 -0.005 0.000 1.671 1163 H HN 0.471 nan 8.280 nan 0.000 0.541 1164 M N 0.936 120.565 119.600 0.048 0.000 2.408 1164 M HA -0.002 4.498 4.480 0.034 0.000 0.363 1164 M C 1.301 177.623 176.300 0.037 0.000 1.636 1164 M CA 0.713 56.032 55.300 0.032 0.000 1.029 1164 M CB -0.732 31.876 32.600 0.012 0.000 2.068 1164 M HN 0.848 nan 8.290 nan 0.000 0.466 1165 G N 3.996 112.814 108.800 0.030 0.000 2.321 1165 G HA2 -0.273 3.707 3.960 0.034 0.000 0.287 1165 G HA3 -0.273 3.707 3.960 0.034 0.000 0.287 1165 G C 0.728 175.640 174.900 0.020 0.000 1.018 1165 G CA 0.519 45.631 45.100 0.019 0.000 0.855 1165 G HN 0.694 nan 8.290 nan 0.000 0.507 1166 L N -0.094 121.150 121.223 0.036 0.000 2.109 1166 L HA 0.373 4.734 4.340 0.034 0.000 0.207 1166 L C 2.959 179.826 176.870 -0.006 0.000 1.086 1166 L CA 2.866 57.719 54.840 0.022 0.000 0.760 1166 L CB -0.489 41.594 42.059 0.039 0.000 0.910 1166 L HN 0.457 nan 8.230 nan 0.000 0.437 1167 A N -0.788 122.028 122.820 -0.007 0.000 1.930 1167 A HA -0.081 4.260 4.320 0.034 0.000 0.217 1167 A C 2.419 179.983 177.584 -0.034 0.000 1.175 1167 A CA 1.517 53.539 52.037 -0.024 0.000 0.627 1167 A CB -0.947 18.040 19.000 -0.022 0.000 0.815 1167 A HN 0.487 nan 8.150 nan 0.000 0.443 1168 A N 0.825 123.631 122.820 -0.023 0.000 1.877 1168 A HA -0.181 4.160 4.320 0.034 0.000 0.216 1168 A C 2.257 179.827 177.584 -0.023 0.000 1.186 1168 A CA 1.817 53.839 52.037 -0.024 0.000 0.620 1168 A CB -0.533 18.462 19.000 -0.008 0.000 0.822 1168 A HN 0.697 nan 8.150 nan 0.000 0.443 1169 R N -0.642 119.849 120.500 -0.015 0.000 2.148 1169 R HA 0.002 4.363 4.340 0.034 0.000 0.227 1169 R C 2.105 178.389 176.300 -0.026 0.000 1.103 1169 R CA 1.582 57.673 56.100 -0.014 0.000 0.983 1169 R CB -0.492 29.805 30.300 -0.007 0.000 0.874 1169 R HN 0.535 nan 8.270 nan 0.000 0.451 1170 M N 0.331 119.912 119.600 -0.033 0.000 2.099 1170 M HA -0.117 4.384 4.480 0.034 0.000 0.262 1170 M C 1.892 178.157 176.300 -0.059 0.000 1.067 1170 M CA 1.578 56.853 55.300 -0.041 0.000 1.124 1170 M CB 0.030 32.606 32.600 -0.040 0.000 1.353 1170 M HN 0.226 nan 8.290 nan 0.000 0.410 1171 M N -0.546 119.006 119.600 -0.080 0.000 2.117 1171 M HA -0.174 4.326 4.480 0.034 0.000 0.262 1171 M C 2.435 178.657 176.300 -0.130 0.000 1.065 1171 M CA 1.533 56.755 55.300 -0.131 0.000 1.114 1171 M CB -1.395 31.112 32.600 -0.155 0.000 1.361 1171 M HN 0.386 nan 8.290 nan 0.000 0.408 1172 S N -0.114 115.540 115.700 -0.078 0.000 2.368 1172 S HA -0.206 4.284 4.470 0.034 0.000 0.225 1172 S C 1.900 176.453 174.600 -0.079 0.000 1.030 1172 S CA 1.511 59.678 58.200 -0.055 0.000 0.999 1172 S CB -0.144 63.052 63.200 -0.006 0.000 0.844 1172 S HN 0.538 nan 8.310 nan 0.000 0.459 1173 Q N 0.024 119.791 119.800 -0.055 0.000 2.079 1173 Q HA -0.053 4.308 4.340 0.034 0.000 0.200 1173 Q C 2.204 178.164 176.000 -0.068 0.000 0.974 1173 Q CA 1.282 57.062 55.803 -0.037 0.000 0.840 1173 Q CB -0.379 28.355 28.738 -0.007 0.000 0.898 1173 Q HN 0.625 nan 8.270 nan 0.000 0.430 1174 A N 0.890 123.659 122.820 -0.086 0.000 1.883 1174 A HA -0.214 4.126 4.320 0.034 0.000 0.217 1174 A C 2.055 179.547 177.584 -0.154 0.000 1.186 1174 A CA 1.691 53.679 52.037 -0.082 0.000 0.624 1174 A CB -0.507 18.459 19.000 -0.056 0.000 0.822 1174 A HN 0.396 nan 8.150 nan 0.000 0.444 1175 M N -1.062 118.354 119.600 -0.307 0.000 2.080 1175 M HA -0.132 4.368 4.480 0.034 0.000 0.260 1175 M C 2.166 178.110 176.300 -0.593 0.000 1.068 1175 M CA 1.759 56.684 55.300 -0.625 0.000 1.109 1175 M CB -1.360 30.482 32.600 -1.264 0.000 1.342 1175 M HN 0.454 nan 8.290 nan 0.000 0.405 1176 R N 0.537 120.797 120.500 -0.400 0.000 2.134 1176 R HA -0.204 4.157 4.340 0.034 0.000 0.248 1176 R C 2.194 178.459 176.300 -0.058 0.000 1.143 1176 R CA 2.094 58.131 56.100 -0.105 0.000 0.957 1176 R CB -0.041 30.243 30.300 -0.027 0.000 0.867 1176 R HN 0.399 nan 8.270 nan 0.000 0.441 1177 K N -0.477 119.881 120.400 -0.071 0.000 2.098 1177 K HA 0.001 4.342 4.320 0.034 0.000 0.203 1177 K C 2.086 178.654 176.600 -0.053 0.000 1.051 1177 K CA 0.874 57.137 56.287 -0.039 0.000 0.957 1177 K CB 0.017 32.508 32.500 -0.016 0.000 0.738 1177 K HN 0.133 nan 8.250 nan 0.000 0.447 1178 L N 0.836 122.020 121.223 -0.066 0.000 2.056 1178 L HA -0.126 4.235 4.340 0.034 0.000 0.207 1178 L C 2.605 179.438 176.870 -0.061 0.000 1.078 1178 L CA 0.956 55.768 54.840 -0.047 0.000 0.749 1178 L CB -0.587 41.466 42.059 -0.011 0.000 0.901 1178 L HN 0.198 nan 8.230 nan 0.000 0.433 1179 A N 0.516 123.300 122.820 -0.060 0.000 1.892 1179 A HA -0.220 4.121 4.320 0.034 0.000 0.218 1179 A C 2.381 179.823 177.584 -0.237 0.000 1.188 1179 A CA 2.140 54.162 52.037 -0.024 0.000 0.631 1179 A CB -1.412 17.686 19.000 0.162 0.000 0.822 1179 A HN 0.459 nan 8.150 nan 0.000 0.447 1180 G N -0.677 107.882 108.800 -0.401 0.000 2.402 1180 G HA2 -0.263 3.718 3.960 0.034 0.000 0.216 1180 G HA3 -0.263 3.718 3.960 0.034 0.000 0.216 1180 G C 1.451 176.174 174.900 -0.295 0.000 1.162 1180 G CA 1.074 45.755 45.100 -0.699 0.000 0.777 1180 G HN 0.716 nan 8.290 nan 0.000 0.539 1181 N N -0.002 118.609 118.700 -0.149 0.000 2.120 1181 N HA -0.008 4.753 4.740 0.034 0.000 0.188 1181 N C 2.218 177.696 175.510 -0.054 0.000 1.024 1181 N CA 0.546 53.553 53.050 -0.072 0.000 0.852 1181 N CB -0.151 38.310 38.487 -0.043 0.000 1.003 1181 N HN 0.229 nan 8.380 nan 0.000 0.424 1182 L N 0.846 122.034 121.223 -0.058 0.000 2.046 1182 L HA -0.167 4.194 4.340 0.034 0.000 0.208 1182 L C 2.441 179.303 176.870 -0.014 0.000 1.077 1182 L CA 1.024 55.846 54.840 -0.031 0.000 0.747 1182 L CB -0.303 41.745 42.059 -0.018 0.000 0.896 1182 L HN 0.114 nan 8.230 nan 0.000 0.432 1183 K N 0.633 121.022 120.400 -0.018 0.000 2.026 1183 K HA -0.203 4.137 4.320 0.034 0.000 0.208 1183 K C 2.035 178.662 176.600 0.044 0.000 1.048 1183 K CA 1.620 57.932 56.287 0.041 0.000 0.929 1183 K CB -0.211 32.366 32.500 0.129 0.000 0.713 1183 K HN 0.212 nan 8.250 nan 0.000 0.439 1184 Q N -0.487 119.329 119.800 0.027 0.000 2.488 1184 Q HA 0.057 4.417 4.340 0.034 0.000 0.211 1184 Q C 0.779 176.792 176.000 0.021 0.000 0.967 1184 Q CA 1.152 56.977 55.803 0.037 0.000 0.926 1184 Q CB 0.351 29.113 28.738 0.040 0.000 0.992 1184 Q HN 0.271 nan 8.270 nan 0.000 0.506 1185 S N -0.115 115.591 115.700 0.010 0.000 2.539 1185 S HA 0.069 4.560 4.470 0.034 0.000 0.221 1185 S C 0.233 174.836 174.600 0.004 0.000 0.987 1185 S CA -0.214 57.989 58.200 0.005 0.000 0.929 1185 S CB 0.355 63.553 63.200 -0.004 0.000 0.832 1185 S HN 0.395 nan 8.310 nan 0.000 0.492 1186 N N 2.197 120.903 118.700 0.010 0.000 2.740 1186 N HA -0.139 4.622 4.740 0.034 0.000 0.248 1186 N C -1.222 174.287 175.510 -0.002 0.000 1.062 1186 N CA 0.830 53.885 53.050 0.009 0.000 0.704 1186 N CB -1.620 36.872 38.487 0.009 0.000 0.968 1186 N HN 0.335 nan 8.380 nan 0.000 0.547 1187 T N 0.824 115.373 114.554 -0.008 0.000 2.767 1187 T HA 0.451 4.822 4.350 0.034 0.000 0.284 1187 T C 0.215 174.900 174.700 -0.026 0.000 0.973 1187 T CA -0.674 61.413 62.100 -0.021 0.000 0.996 1187 T CB 1.540 70.391 68.868 -0.029 0.000 0.927 1187 T HN 0.280 nan 8.240 nan 0.000 0.456 1188 L N 4.669 125.871 121.223 -0.034 0.000 2.290 1188 L HA 0.543 4.904 4.340 0.034 0.000 0.284 1188 L C -0.852 175.971 176.870 -0.079 0.000 1.078 1188 L CA -0.299 54.516 54.840 -0.041 0.000 0.815 1188 L CB 0.327 42.365 42.059 -0.035 0.000 1.162 1188 L HN 0.613 nan 8.230 nan 0.000 0.435 1189 L N 6.992 128.158 121.223 -0.095 0.000 2.319 1189 L HA 0.527 4.888 4.340 0.034 0.000 0.281 1189 L C -0.964 175.772 176.870 -0.223 0.000 1.005 1189 L CA -0.474 54.244 54.840 -0.204 0.000 0.828 1189 L CB 1.206 43.126 42.059 -0.232 0.000 1.227 1189 L HN 0.672 nan 8.230 nan 0.000 0.415 1190 I N 4.505 124.912 120.570 -0.271 0.000 2.336 1190 I HA 0.277 4.467 4.170 0.034 0.000 0.292 1190 I C -0.828 175.098 176.117 -0.319 0.000 0.991 1190 I CA -0.317 60.870 61.300 -0.188 0.000 1.227 1190 I CB 1.325 39.262 38.000 -0.105 0.000 1.366 1190 I HN 0.388 nan 8.210 nan 0.000 0.466 1191 F N 6.575 126.500 119.950 -0.043 0.000 2.404 1191 F HA 0.472 5.020 4.527 0.034 0.000 0.354 1191 F C 0.387 176.171 175.800 -0.027 0.000 1.122 1191 F CA -0.436 57.533 58.000 -0.051 0.000 1.080 1191 F CB 0.999 39.981 39.000 -0.031 0.000 1.131 1191 F HN 0.214 nan 8.300 nan 0.000 0.471 1192 I N 3.521 124.168 120.570 0.128 0.000 2.428 1192 I HA 0.201 4.391 4.170 0.034 0.000 0.289 1192 I C -0.122 176.052 176.117 0.096 0.000 1.019 1192 I CA -0.072 61.287 61.300 0.098 0.000 1.351 1192 I CB 1.075 39.104 38.000 0.049 0.000 1.412 1192 I HN 0.643 nan 8.210 nan 0.000 0.513 1193 N N 3.990 122.747 118.700 0.094 0.000 2.312 1193 N HA 0.394 5.155 4.740 0.034 0.000 0.296 1193 N C -1.254 174.232 175.510 -0.039 0.000 1.193 1193 N CA -0.691 52.369 53.050 0.018 0.000 0.773 1193 N CB 1.778 40.276 38.487 0.020 0.000 1.435 1193 N HN 0.541 nan 8.380 nan 0.000 0.484 1194 Q N 0.741 120.400 119.800 -0.235 0.000 2.194 1194 Q HA 0.517 4.878 4.340 0.034 0.000 0.245 1194 Q C -0.694 175.109 176.000 -0.329 0.000 0.993 1194 Q CA -0.687 54.785 55.803 -0.551 0.000 0.930 1194 Q CB 2.034 30.049 28.738 -1.204 0.000 1.238 1194 Q HN 0.469 nan 8.270 nan 0.000 0.486 1195 I N 1.173 121.589 120.570 -0.258 0.000 2.412 1195 I HA 0.399 4.590 4.170 0.034 0.000 0.296 1195 I C -0.178 175.945 176.117 0.010 0.000 0.987 1195 I CA -0.687 60.613 61.300 -0.001 0.000 1.180 1195 I CB 0.959 39.089 38.000 0.217 0.000 1.340 1195 I HN 0.352 nan 8.210 nan 0.000 0.455 1196 R N 4.612 125.105 120.500 -0.012 0.000 2.888 1196 R HA 0.611 4.972 4.340 0.034 0.000 0.266 1196 R C -1.061 175.247 176.300 0.012 0.000 1.020 1196 R CA -1.312 54.797 56.100 0.014 0.000 0.963 1196 R CB 1.594 31.882 30.300 -0.019 0.000 1.197 1196 R HN 0.362 nan 8.270 nan 0.000 0.481 1197 M N 1.924 121.533 119.600 0.015 0.000 2.277 1197 M HA 0.256 4.757 4.480 0.034 0.000 0.350 1197 M C -0.055 176.235 176.300 -0.018 0.000 1.180 1197 M CA -0.522 54.777 55.300 -0.001 0.000 1.103 1197 M CB 0.824 33.424 32.600 0.000 0.000 1.577 1197 M HN 0.245 nan 8.290 nan 0.000 0.459 1198 K N 4.065 124.448 120.400 -0.029 0.000 2.234 1198 K HA 0.495 4.836 4.320 0.034 0.000 0.277 1198 K C -0.790 175.782 176.600 -0.048 0.000 1.038 1198 K CA -0.338 55.930 56.287 -0.032 0.000 0.888 1198 K CB 0.517 33.003 32.500 -0.023 0.000 1.091 1198 K HN 0.612 nan 8.250 nan 0.000 0.467 1199 I N 1.878 122.425 120.570 -0.039 0.000 2.696 1199 I HA 0.041 4.232 4.170 0.034 0.000 0.284 1199 I C 1.243 177.325 176.117 -0.060 0.000 1.129 1199 I CA 0.882 62.154 61.300 -0.047 0.000 1.410 1199 I CB 0.533 38.514 38.000 -0.031 0.000 1.399 1199 I HN 1.037 nan 8.210 nan 0.000 0.579 1200 G N 4.062 112.815 108.800 -0.080 0.000 2.198 1200 G HA2 -0.201 3.780 3.960 0.034 0.000 0.260 1200 G HA3 -0.201 3.780 3.960 0.034 0.000 0.260 1200 G C -0.160 174.626 174.900 -0.189 0.000 1.025 1200 G CA -0.152 44.896 45.100 -0.086 0.000 0.769 1200 G HN 0.442 nan 8.290 nan 0.000 0.507 1201 V N 0.622 120.336 119.914 -0.334 0.000 2.304 1201 V HA 0.553 4.694 4.120 0.034 0.000 0.278 1201 V C 0.407 176.007 176.094 -0.824 0.000 1.018 1201 V CA -0.321 61.520 62.300 -0.766 0.000 0.814 1201 V CB 1.337 32.934 31.823 -0.376 0.000 1.021 1201 V HN 0.319 nan 8.190 nan 0.000 0.440 1202 M N 6.509 125.409 119.600 -1.167 0.000 2.972 1202 M HA 0.472 4.972 4.480 0.034 0.000 0.323 1202 M C -0.852 175.206 176.300 -0.403 0.000 1.213 1202 M CA 0.258 55.222 55.300 -0.560 0.000 0.935 1202 M CB -0.215 32.235 32.600 -0.249 0.000 1.289 1202 M HN 0.506 nan 8.290 nan 0.000 0.525 1203 F N -2.090 117.860 119.950 -0.001 0.000 2.730 1203 F HA 0.815 5.362 4.527 0.034 0.000 0.335 1203 F C 0.527 176.325 175.800 -0.004 0.000 1.212 1203 F CA -1.236 56.763 58.000 -0.003 0.000 1.016 1203 F CB 0.092 39.089 39.000 -0.005 0.000 1.290 1203 F HN 0.328 nan 8.300 nan 0.000 0.495 1204 G N 2.791 111.669 108.800 0.131 0.000 2.514 1204 G HA2 -0.295 3.686 3.960 0.034 0.000 0.265 1204 G HA3 -0.295 3.686 3.960 0.034 0.000 0.265 1204 G C -0.860 174.056 174.900 0.026 0.000 1.150 1204 G CA -0.016 45.131 45.100 0.078 0.000 0.959 1204 G HN 1.043 nan 8.290 nan 0.000 0.556 1205 N N 2.283 121.002 118.700 0.031 0.000 2.437 1205 N HA 0.509 5.270 4.740 0.034 0.000 0.259 1205 N C -1.265 174.240 175.510 -0.009 0.000 0.983 1205 N CA -1.360 51.697 53.050 0.011 0.000 0.937 1205 N CB 1.706 40.209 38.487 0.027 0.000 1.122 1205 N HN 0.325 nan 8.380 nan 0.000 0.499 1206 P HA 0.055 nan 4.420 nan 0.000 0.249 1206 P C -0.579 176.707 177.300 -0.022 0.000 1.229 1206 P CA 0.517 63.589 63.100 -0.047 0.000 0.788 1206 P CB 0.382 32.046 31.700 -0.060 0.000 1.072 1207 E N 0.275 120.472 120.200 -0.005 0.000 2.331 1207 E HA 0.313 4.684 4.350 0.034 0.000 0.272 1207 E C 0.041 176.617 176.600 -0.040 0.000 1.036 1207 E CA 0.155 56.554 56.400 -0.001 0.000 0.864 1207 E CB 0.867 30.587 29.700 0.034 0.000 1.035 1207 E HN 0.110 nan 8.360 nan 0.000 0.408 1208 T N 0.208 114.724 114.554 -0.065 0.000 2.669 1208 T HA 0.463 4.834 4.350 0.034 0.000 0.283 1208 T C -0.360 174.234 174.700 -0.177 0.000 1.019 1208 T CA -0.745 61.282 62.100 -0.122 0.000 1.039 1208 T CB 1.754 70.570 68.868 -0.086 0.000 1.374 1208 T HN 0.304 nan 8.240 nan 0.000 0.523 1209 T N 0.925 115.358 114.554 -0.203 0.000 2.906 1209 T HA 0.621 4.992 4.350 0.034 0.000 0.295 1209 T C -0.582 174.025 174.700 -0.155 0.000 1.075 1209 T CA -0.407 61.552 62.100 -0.235 0.000 1.005 1209 T CB 1.652 70.302 68.868 -0.363 0.000 1.136 1209 T HN 0.661 nan 8.240 nan 0.000 0.498 1210 T N 1.083 115.550 114.554 -0.145 0.000 2.882 1210 T HA 0.512 4.883 4.350 0.034 0.000 0.287 1210 T C 1.251 175.889 174.700 -0.104 0.000 1.014 1210 T CA 0.694 62.728 62.100 -0.109 0.000 1.049 1210 T CB 0.804 69.609 68.868 -0.106 0.000 1.001 1210 T HN 1.102 nan 8.240 nan 0.000 0.525 1211 G N 0.248 109.000 108.800 -0.080 0.000 2.141 1211 G HA2 0.204 4.185 3.960 0.034 0.000 0.242 1211 G HA3 0.204 4.185 3.960 0.034 0.000 0.242 1211 G C 0.677 175.534 174.900 -0.073 0.000 0.982 1211 G CA 0.120 45.170 45.100 -0.084 0.000 0.662 1211 G HN 1.728 nan 8.290 nan 0.000 0.527 1212 G N -0.496 108.272 108.800 -0.053 0.000 2.545 1212 G HA2 -0.074 3.906 3.960 0.034 0.000 0.216 1212 G HA3 -0.074 3.906 3.960 0.034 0.000 0.216 1212 G C 0.394 175.291 174.900 -0.004 0.000 1.314 1212 G CA 0.513 45.600 45.100 -0.022 0.000 0.906 1212 G HN 0.872 nan 8.290 nan 0.000 0.563 1213 N N 0.281 119.014 118.700 0.056 0.000 2.368 1213 N HA 0.226 4.987 4.740 0.034 0.000 0.178 1213 N C 2.482 178.146 175.510 0.257 0.000 1.076 1213 N CA 1.418 54.549 53.050 0.135 0.000 0.889 1213 N CB -0.098 38.516 38.487 0.211 0.000 1.040 1213 N HN 0.914 nan 8.380 nan 0.000 0.463 1214 A N 1.598 124.543 122.820 0.209 0.000 1.873 1214 A HA -0.163 4.178 4.320 0.034 0.000 0.218 1214 A C 2.161 179.952 177.584 0.345 0.000 1.193 1214 A CA 1.238 53.459 52.037 0.306 0.000 0.629 1214 A CB -0.825 18.253 19.000 0.130 0.000 0.826 1214 A HN 0.219 nan 8.150 nan 0.000 0.447 1215 L N -0.109 121.177 121.223 0.105 0.000 2.079 1215 L HA -0.177 4.184 4.340 0.034 0.000 0.210 1215 L C 2.226 179.155 176.870 0.098 0.000 1.081 1215 L CA 2.285 57.152 54.840 0.045 0.000 0.752 1215 L CB -0.624 41.344 42.059 -0.152 0.000 0.896 1215 L HN 0.392 nan 8.230 nan 0.000 0.433 1216 K N -1.138 119.280 120.400 0.030 0.000 2.059 1216 K HA -0.247 4.093 4.320 0.034 0.000 0.212 1216 K C 2.042 178.578 176.600 -0.107 0.000 1.050 1216 K CA 2.263 58.492 56.287 -0.096 0.000 0.927 1216 K CB -0.483 31.853 32.500 -0.274 0.000 0.714 1216 K HN 0.290 nan 8.250 nan 0.000 0.447 1217 F N -0.879 119.106 119.950 0.059 0.000 2.163 1217 F HA -0.126 4.422 4.527 0.035 0.000 0.297 1217 F C 2.021 177.787 175.800 -0.056 0.000 1.094 1217 F CA 1.067 59.056 58.000 -0.019 0.000 1.290 1217 F CB -0.279 38.671 39.000 -0.084 0.000 1.017 1217 F HN 0.020 nan 8.300 nan 0.000 0.483 1218 Y N -0.016 120.410 120.300 0.210 0.000 2.519 1218 Y HA 0.256 4.826 4.550 0.034 0.000 0.287 1218 Y C 1.521 177.485 175.900 0.107 0.000 1.128 1218 Y CA -0.113 58.074 58.100 0.145 0.000 1.282 1218 Y CB -0.613 37.917 38.460 0.117 0.000 1.027 1218 Y HN -0.124 nan 8.280 nan 0.000 0.551 1219 A N -0.154 122.794 122.820 0.212 0.000 2.488 1219 A HA 0.163 4.504 4.320 0.034 0.000 0.249 1219 A C 1.259 178.891 177.584 0.080 0.000 1.083 1219 A CA 0.294 52.416 52.037 0.142 0.000 0.768 1219 A CB 0.215 19.282 19.000 0.111 0.000 1.017 1219 A HN 0.315 nan 8.150 nan 0.000 0.496 1220 S N 0.696 116.435 115.700 0.066 0.000 2.470 1220 S HA 0.139 4.630 4.470 0.034 0.000 0.225 1220 S C 0.427 175.012 174.600 -0.025 0.000 1.006 1220 S CA 0.600 58.810 58.200 0.015 0.000 0.934 1220 S CB 0.026 63.239 63.200 0.020 0.000 0.778 1220 S HN 0.568 nan 8.310 nan 0.000 0.517 1221 V N 2.148 122.059 119.914 -0.005 0.000 2.760 1221 V HA 0.478 4.619 4.120 0.034 0.000 0.309 1221 V C -0.789 175.308 176.094 0.004 0.000 1.077 1221 V CA -0.879 61.403 62.300 -0.029 0.000 0.910 1221 V CB 2.128 33.934 31.823 -0.028 0.000 1.008 1221 V HN 0.125 nan 8.190 nan 0.000 0.424 1222 R N 3.949 124.442 120.500 -0.011 0.000 2.561 1222 R HA 0.694 5.055 4.340 0.034 0.000 0.297 1222 R C -1.901 174.390 176.300 -0.016 0.000 0.969 1222 R CA -0.903 55.223 56.100 0.043 0.000 0.879 1222 R CB 2.321 32.690 30.300 0.115 0.000 1.178 1222 R HN 0.348 nan 8.270 nan 0.000 0.445 1223 L N 2.318 123.505 121.223 -0.060 0.000 2.333 1223 L HA 0.294 4.654 4.340 0.034 0.000 0.280 1223 L C -0.369 176.243 176.870 -0.430 0.000 1.004 1223 L CA -0.561 54.188 54.840 -0.152 0.000 0.820 1223 L CB 1.557 43.574 42.059 -0.071 0.000 1.247 1223 L HN 0.494 nan 8.230 nan 0.000 0.416 1224 D N 4.362 124.487 120.400 -0.458 0.000 2.412 1224 D HA 0.267 4.928 4.640 0.034 0.000 0.224 1224 D C -0.708 175.429 176.300 -0.271 0.000 1.093 1224 D CA -0.184 53.432 54.000 -0.641 0.000 0.850 1224 D CB 0.946 41.487 40.800 -0.431 0.000 1.046 1224 D HN 0.461 nan 8.370 nan 0.000 0.507 1225 I N 3.439 123.886 120.570 -0.205 0.000 2.412 1225 I HA 0.486 4.676 4.170 0.034 0.000 0.296 1225 I C -0.713 175.382 176.117 -0.037 0.000 0.987 1225 I CA -0.669 60.587 61.300 -0.073 0.000 1.180 1225 I CB 0.688 38.688 38.000 -0.000 0.000 1.340 1225 I HN 0.260 nan 8.210 nan 0.000 0.455 1226 R N 5.609 126.083 120.500 -0.045 0.000 2.626 1226 R HA 0.386 4.746 4.340 0.034 0.000 0.274 1226 R C -1.115 175.163 176.300 -0.037 0.000 1.031 1226 R CA -0.912 55.175 56.100 -0.021 0.000 0.898 1226 R CB 2.078 32.367 30.300 -0.019 0.000 1.222 1226 R HN 0.565 nan 8.270 nan 0.000 0.455 1227 R N 4.044 124.545 120.500 0.001 0.000 2.267 1227 R HA 0.196 4.557 4.340 0.034 0.000 0.319 1227 R C 0.674 176.967 176.300 -0.012 0.000 1.067 1227 R CA 0.040 56.144 56.100 0.005 0.000 0.936 1227 R CB 0.421 30.761 30.300 0.067 0.000 1.006 1227 R HN 0.768 nan 8.270 nan 0.000 0.452 1228 I N 0.662 121.208 120.570 -0.040 0.000 4.082 1228 I HA 0.500 4.691 4.170 0.034 0.000 0.337 1228 I C 0.395 176.487 176.117 -0.041 0.000 1.352 1228 I CA -0.221 61.054 61.300 -0.042 0.000 1.097 1228 I CB 0.974 38.938 38.000 -0.060 0.000 1.048 1228 I HN 0.668 nan 8.210 nan 0.000 0.393 1229 G N 1.058 109.833 108.800 -0.041 0.000 2.320 1229 G HA2 0.610 4.591 3.960 0.034 0.000 0.296 1229 G HA3 0.610 4.591 3.960 0.034 0.000 0.296 1229 G C -1.980 172.886 174.900 -0.057 0.000 1.306 1229 G CA -0.233 44.835 45.100 -0.053 0.000 0.836 1229 G HN 0.322 nan 8.290 nan 0.000 0.517 1230 A N -0.717 122.054 122.820 -0.081 0.000 2.324 1230 A HA 0.778 5.118 4.320 0.034 0.000 0.330 1230 A C -0.279 177.266 177.584 -0.065 0.000 1.165 1230 A CA -0.544 51.442 52.037 -0.086 0.000 0.813 1230 A CB 1.582 20.492 19.000 -0.149 0.000 1.197 1230 A HN 1.466 nan 8.150 nan 0.000 0.484 1231 V N 3.023 122.897 119.914 -0.067 0.000 2.383 1231 V HA 0.341 4.482 4.120 0.034 0.000 0.275 1231 V C 0.101 176.166 176.094 -0.049 0.000 1.036 1231 V CA -0.259 62.001 62.300 -0.067 0.000 0.889 1231 V CB 0.875 32.640 31.823 -0.097 0.000 0.985 1231 V HN 0.836 nan 8.190 nan 0.000 0.459 1232 K N 3.440 123.821 120.400 -0.033 0.000 2.397 1232 K HA 0.450 4.791 4.320 0.034 0.000 0.253 1232 K C -0.667 175.929 176.600 -0.007 0.000 0.932 1232 K CA -0.717 55.561 56.287 -0.015 0.000 0.795 1232 K CB 2.406 34.894 32.500 -0.019 0.000 1.159 1232 K HN 0.520 nan 8.250 nan 0.000 0.424 1233 E N 2.287 122.490 120.200 0.006 0.000 2.069 1233 E HA 0.111 4.482 4.350 0.034 0.000 0.254 1233 E C 0.814 177.420 176.600 0.010 0.000 1.088 1233 E CA -0.024 56.381 56.400 0.008 0.000 1.017 1233 E CB 0.713 30.424 29.700 0.018 0.000 1.226 1233 E HN 0.985 nan 8.360 nan 0.000 0.458 1234 G N 3.738 112.540 108.800 0.003 0.000 3.434 1234 G HA2 -0.449 3.532 3.960 0.034 0.000 0.343 1234 G HA3 -0.449 3.532 3.960 0.034 0.000 0.343 1234 G C 1.120 176.023 174.900 0.005 0.000 1.240 1234 G CA 0.702 45.804 45.100 0.002 0.000 0.996 1234 G HN 0.490 nan 8.290 nan 0.000 0.650 1235 E N 1.935 122.142 120.200 0.012 0.000 2.033 1235 E HA -0.021 4.350 4.350 0.034 0.000 0.189 1235 E C 1.088 177.706 176.600 0.029 0.000 0.979 1235 E CA 1.046 57.456 56.400 0.017 0.000 0.802 1235 E CB -0.362 29.351 29.700 0.021 0.000 0.763 1235 E HN 0.757 nan 8.360 nan 0.000 0.449 1236 N N 1.261 119.986 118.700 0.041 0.000 2.514 1236 N HA 0.169 4.930 4.740 0.034 0.000 0.277 1236 N C -0.750 174.806 175.510 0.077 0.000 1.126 1236 N CA -0.251 52.840 53.050 0.068 0.000 0.978 1236 N CB 1.711 40.243 38.487 0.076 0.000 1.106 1236 N HN -0.195 nan 8.380 nan 0.000 0.461 1237 V N 2.417 122.406 119.914 0.125 0.000 2.405 1237 V HA 0.026 4.166 4.120 0.034 0.000 0.264 1237 V C 0.746 176.984 176.094 0.240 0.000 1.048 1237 V CA -0.094 62.302 62.300 0.160 0.000 0.966 1237 V CB 1.004 32.955 31.823 0.214 0.000 1.015 1237 V HN 0.625 nan 8.190 nan 0.000 0.477 1238 V N 4.353 124.318 119.914 0.085 0.000 3.605 1238 V HA 0.624 4.765 4.120 0.034 0.000 0.284 1238 V C 0.834 176.691 176.094 -0.395 0.000 1.386 1238 V CA 1.191 63.504 62.300 0.021 0.000 1.053 1238 V CB 0.399 32.231 31.823 0.016 0.000 0.857 1238 V HN 0.921 nan 8.190 nan 0.000 0.436 1239 G N -1.050 107.401 108.800 -0.583 0.000 2.600 1239 G HA2 0.500 4.481 3.960 0.034 0.000 0.293 1239 G HA3 0.500 4.481 3.960 0.034 0.000 0.293 1239 G C -1.480 173.139 174.900 -0.468 0.000 1.408 1239 G CA -0.270 44.231 45.100 -0.998 0.000 0.782 1239 G HN 0.011 nan 8.290 nan 0.000 0.482 1240 S N -0.154 115.396 115.700 -0.249 0.000 2.449 1240 S HA 0.508 4.998 4.470 0.034 0.000 0.310 1240 S C -0.468 174.120 174.600 -0.021 0.000 1.096 1240 S CA -0.430 57.788 58.200 0.030 0.000 1.095 1240 S CB 1.740 65.069 63.200 0.214 0.000 1.007 1240 S HN 0.575 nan 8.310 nan 0.000 0.474 1241 E N 2.064 122.241 120.200 -0.038 0.000 2.290 1241 E HA 0.349 4.720 4.350 0.034 0.000 0.277 1241 E C -0.686 175.841 176.600 -0.123 0.000 1.035 1241 E CA 0.267 56.622 56.400 -0.076 0.000 0.873 1241 E CB 0.582 30.242 29.700 -0.066 0.000 1.029 1241 E HN 0.458 nan 8.360 nan 0.000 0.419 1242 T N 4.891 119.290 114.554 -0.258 0.000 2.876 1242 T HA 0.486 4.856 4.350 0.034 0.000 0.289 1242 T C -0.680 173.704 174.700 -0.527 0.000 1.014 1242 T CA -0.740 61.115 62.100 -0.408 0.000 0.986 1242 T CB 1.237 69.749 68.868 -0.593 0.000 1.021 1242 T HN 0.317 nan 8.240 nan 0.000 0.458 1243 R N 2.033 122.327 120.500 -0.344 0.000 2.534 1243 R HA 0.717 5.078 4.340 0.034 0.000 0.301 1243 R C -1.715 174.474 176.300 -0.184 0.000 0.961 1243 R CA -0.558 55.389 56.100 -0.255 0.000 0.871 1243 R CB 1.350 31.569 30.300 -0.135 0.000 1.170 1243 R HN 0.444 nan 8.270 nan 0.000 0.446 1244 V N 4.493 124.338 119.914 -0.117 0.000 2.487 1244 V HA 0.388 4.529 4.120 0.034 0.000 0.298 1244 V C -0.420 175.668 176.094 -0.011 0.000 1.028 1244 V CA -0.861 61.421 62.300 -0.030 0.000 0.860 1244 V CB 1.838 33.713 31.823 0.087 0.000 0.991 1244 V HN 0.687 nan 8.190 nan 0.000 0.427 1245 K N 2.972 123.355 120.400 -0.028 0.000 2.185 1245 K HA 0.599 4.940 4.320 0.034 0.000 0.269 1245 K C -0.870 175.722 176.600 -0.013 0.000 0.987 1245 K CA -0.695 55.596 56.287 0.007 0.000 0.865 1245 K CB 2.223 34.744 32.500 0.036 0.000 1.090 1245 K HN 0.465 nan 8.250 nan 0.000 0.450 1246 V N 4.451 124.361 119.914 -0.007 0.000 2.356 1246 V HA -0.005 4.136 4.120 0.034 0.000 0.258 1246 V C 1.002 177.019 176.094 -0.128 0.000 1.065 1246 V CA -0.022 62.235 62.300 -0.071 0.000 0.935 1246 V CB 0.829 32.597 31.823 -0.093 0.000 1.061 1246 V HN 0.683 nan 8.190 nan 0.000 0.484 1247 V N 4.207 124.064 119.914 -0.095 0.000 2.878 1247 V HA 0.134 4.275 4.120 0.034 0.000 0.250 1247 V C 0.890 176.851 176.094 -0.221 0.000 1.075 1247 V CA 1.222 63.499 62.300 -0.038 0.000 1.096 1247 V CB 0.102 31.992 31.823 0.112 0.000 0.724 1247 V HN 0.808 nan 8.190 nan 0.000 0.467 1248 K N 0.771 121.042 120.400 -0.216 0.000 2.498 1248 K HA 0.397 4.738 4.320 0.034 0.000 0.254 1248 K C -1.585 174.864 176.600 -0.251 0.000 0.933 1248 K CA -0.580 55.553 56.287 -0.256 0.000 0.806 1248 K CB 1.797 34.222 32.500 -0.125 0.000 1.301 1248 K HN 0.109 nan 8.250 nan 0.000 0.432 1249 N N 2.967 121.482 118.700 -0.308 0.000 2.503 1249 N HA 0.223 4.984 4.740 0.034 0.000 0.287 1249 N C -0.946 174.396 175.510 -0.280 0.000 1.096 1249 N CA -0.377 52.512 53.050 -0.267 0.000 0.936 1249 N CB 1.826 40.136 38.487 -0.296 0.000 1.570 1249 N HN 0.681 nan 8.380 nan 0.000 0.504 1250 K N 2.292 122.567 120.400 -0.208 0.000 2.353 1250 K HA 0.287 4.628 4.320 0.034 0.000 0.195 1250 K C 1.364 177.823 176.600 -0.236 0.000 1.031 1250 K CA 0.307 56.465 56.287 -0.215 0.000 1.079 1250 K CB 0.365 32.796 32.500 -0.115 0.000 0.857 1250 K HN 0.682 nan 8.250 nan 0.000 0.535 1251 I N -4.130 116.322 120.570 -0.197 0.000 4.181 1251 I HA 0.393 4.583 4.170 0.034 0.000 0.331 1251 I C 0.288 176.313 176.117 -0.153 0.000 1.312 1251 I CA -0.426 60.784 61.300 -0.149 0.000 1.146 1251 I CB 0.857 38.808 38.000 -0.081 0.000 1.074 1251 I HN -0.168 nan 8.210 nan 0.000 0.402 1252 A N 1.159 123.858 122.820 -0.202 0.000 2.536 1252 A HA 0.805 5.145 4.320 0.034 0.000 0.293 1252 A C -0.675 176.759 177.584 -0.249 0.000 1.119 1252 A CA -0.253 51.686 52.037 -0.164 0.000 0.654 1252 A CB 0.257 19.204 19.000 -0.087 0.000 1.291 1252 A HN 0.324 nan 8.150 nan 0.000 0.439 1253 A N 1.222 123.932 122.820 -0.182 0.000 2.561 1253 A HA 0.539 4.880 4.320 0.034 0.000 0.234 1253 A C -1.999 175.380 177.584 -0.342 0.000 1.055 1253 A CA -0.133 51.730 52.037 -0.290 0.000 0.756 1253 A CB -0.749 18.244 19.000 -0.013 0.000 0.986 1253 A HN 0.556 nan 8.150 nan 0.000 0.505 1254 P HA 0.558 nan 4.420 nan 0.000 0.284 1254 P C -0.194 176.916 177.300 -0.316 0.000 1.292 1254 P CA -0.288 62.448 63.100 -0.607 0.000 0.800 1254 P CB 0.257 31.294 31.700 -1.105 0.000 1.188 1255 F N -4.512 115.420 119.950 -0.031 0.000 2.699 1255 F HA -0.191 4.357 4.527 0.034 0.000 0.343 1255 F C 0.679 176.492 175.800 0.021 0.000 0.633 1255 F CA 0.590 58.599 58.000 0.014 0.000 1.365 1255 F CB -2.427 36.608 39.000 0.058 0.000 1.795 1255 F HN 0.232 nan 8.300 nan 0.000 0.304 1256 K N 1.294 121.766 120.400 0.120 0.000 2.138 1256 K HA 0.507 4.848 4.320 0.034 0.000 0.251 1256 K C 0.474 177.116 176.600 0.070 0.000 1.015 1256 K CA -0.264 56.076 56.287 0.089 0.000 0.917 1256 K CB 0.746 33.278 32.500 0.053 0.000 1.021 1256 K HN 0.420 nan 8.250 nan 0.000 0.485 1257 Q N -0.365 119.471 119.800 0.059 0.000 2.456 1257 Q HA 0.726 5.087 4.340 0.034 0.000 0.283 1257 Q C -1.728 174.302 176.000 0.048 0.000 1.084 1257 Q CA -1.292 54.539 55.803 0.047 0.000 0.801 1257 Q CB 2.070 30.830 28.738 0.036 0.000 1.434 1257 Q HN 0.528 nan 8.270 nan 0.000 0.419 1258 A N 1.303 124.159 122.820 0.059 0.000 2.365 1258 A HA 0.661 5.002 4.320 0.034 0.000 0.318 1258 A C -1.193 176.410 177.584 0.033 0.000 1.091 1258 A CA -0.617 51.483 52.037 0.105 0.000 0.763 1258 A CB 1.635 20.766 19.000 0.219 0.000 1.248 1258 A HN 0.749 nan 8.150 nan 0.000 0.442 1259 E N 0.559 120.781 120.200 0.037 0.000 2.234 1259 E HA 0.653 5.023 4.350 0.034 0.000 0.266 1259 E C -1.404 175.207 176.600 0.018 0.000 0.877 1259 E CA -0.299 56.038 56.400 -0.105 0.000 0.758 1259 E CB 1.915 31.572 29.700 -0.072 0.000 1.170 1259 E HN 0.611 nan 8.360 nan 0.000 0.415 1260 F N -0.916 119.027 119.950 -0.012 0.000 2.831 1260 F HA 0.449 4.996 4.527 0.034 0.000 0.318 1260 F C -1.112 174.682 175.800 -0.010 0.000 1.174 1260 F CA -1.222 56.767 58.000 -0.017 0.000 0.918 1260 F CB 0.920 39.910 39.000 -0.017 0.000 1.364 1260 F HN 0.146 nan 8.300 nan 0.000 0.475 1261 Q N 1.279 121.250 119.800 0.286 0.000 2.245 1261 Q HA 0.648 5.009 4.340 0.034 0.000 0.256 1261 Q C -1.153 175.008 176.000 0.269 0.000 0.942 1261 Q CA -0.752 55.146 55.803 0.157 0.000 0.896 1261 Q CB 2.840 31.617 28.738 0.064 0.000 1.272 1261 Q HN 0.578 nan 8.270 nan 0.000 0.442 1262 I N 3.531 124.203 120.570 0.170 0.000 2.328 1262 I HA 0.238 4.428 4.170 0.034 0.000 0.287 1262 I C -0.648 175.459 176.117 -0.016 0.000 1.012 1262 I CA -0.442 60.959 61.300 0.167 0.000 1.195 1262 I CB 0.700 38.849 38.000 0.249 0.000 1.350 1262 I HN 0.356 nan 8.210 nan 0.000 0.464 1263 L N 6.975 128.196 121.223 -0.003 0.000 2.275 1263 L HA 0.353 4.714 4.340 0.034 0.000 0.288 1263 L C -0.585 176.312 176.870 0.044 0.000 1.046 1263 L CA -0.888 53.892 54.840 -0.099 0.000 0.805 1263 L CB 0.341 42.385 42.059 -0.025 0.000 1.193 1263 L HN 0.375 nan 8.230 nan 0.000 0.426 1264 Y N 1.660 122.052 120.300 0.153 0.000 2.610 1264 Y HA 0.195 4.766 4.550 0.036 0.000 0.332 1264 Y C 1.508 177.534 175.900 0.210 0.000 1.201 1264 Y CA 0.255 58.476 58.100 0.202 0.000 1.465 1264 Y CB 0.005 38.554 38.460 0.147 0.000 1.283 1264 Y HN 0.857 nan 8.280 nan 0.000 0.563 1265 G N 1.709 110.820 108.800 0.518 0.000 2.168 1265 G HA2 -0.372 3.608 3.960 0.034 0.000 0.263 1265 G HA3 -0.372 3.608 3.960 0.034 0.000 0.263 1265 G C 0.774 175.715 174.900 0.067 0.000 0.977 1265 G CA 0.875 46.151 45.100 0.292 0.000 0.659 1265 G HN 0.726 nan 8.290 nan 0.000 0.533 1266 E N -1.734 118.505 120.200 0.065 0.000 2.571 1266 E HA 0.453 4.824 4.350 0.034 0.000 0.204 1266 E C 1.352 177.948 176.600 -0.008 0.000 0.851 1266 E CA 1.185 57.594 56.400 0.016 0.000 1.358 1266 E CB 0.499 30.227 29.700 0.047 0.000 1.327 1266 E HN 1.765 nan 8.360 nan 0.000 0.665 1267 G N 0.944 109.769 108.800 0.043 0.000 2.428 1267 G HA2 -0.168 3.813 3.960 0.034 0.000 0.202 1267 G HA3 -0.168 3.813 3.960 0.034 0.000 0.202 1267 G C -0.577 174.365 174.900 0.070 0.000 1.247 1267 G CA -0.404 44.723 45.100 0.044 0.000 1.020 1267 G HN 0.177 nan 8.290 nan 0.000 0.529 1268 I N 1.440 122.032 120.570 0.037 0.000 2.683 1268 I HA 0.023 4.214 4.170 0.034 0.000 0.286 1268 I C 0.742 176.881 176.117 0.036 0.000 1.175 1268 I CA -0.116 61.194 61.300 0.016 0.000 1.429 1268 I CB 0.594 38.485 38.000 -0.182 0.000 1.371 1268 I HN 0.469 nan 8.210 nan 0.000 0.569 1269 N N 6.664 125.408 118.700 0.074 0.000 2.739 1269 N HA -0.035 4.726 4.740 0.034 0.000 0.266 1269 N C 0.556 176.093 175.510 0.045 0.000 1.168 1269 N CA 0.143 53.239 53.050 0.077 0.000 1.055 1269 N CB -0.102 38.429 38.487 0.074 0.000 1.393 1269 N HN 0.513 nan 8.380 nan 0.000 0.514 1270 F N 3.027 122.896 119.950 -0.136 0.000 2.102 1270 F HA -0.163 4.384 4.527 0.034 0.000 0.298 1270 F C 0.895 176.559 175.800 -0.227 0.000 1.105 1270 F CA 1.523 59.369 58.000 -0.257 0.000 1.239 1270 F CB -0.106 38.641 39.000 -0.422 0.000 0.991 1270 F HN 0.403 nan 8.300 nan 0.000 0.474 1271 Y N 0.459 120.809 120.300 0.085 0.000 2.439 1271 Y HA 0.040 4.612 4.550 0.036 0.000 0.292 1271 Y C 2.612 178.452 175.900 -0.100 0.000 1.130 1271 Y CA 0.878 58.971 58.100 -0.011 0.000 1.254 1271 Y CB -1.250 37.254 38.460 0.074 0.000 1.000 1271 Y HN 0.144 nan 8.280 nan 0.000 0.554 1272 G N 0.028 108.858 108.800 0.049 0.000 2.433 1272 G HA2 -0.253 3.727 3.960 0.034 0.000 0.216 1272 G HA3 -0.253 3.727 3.960 0.034 0.000 0.216 1272 G C 1.492 176.352 174.900 -0.067 0.000 1.186 1272 G CA 1.059 46.154 45.100 -0.009 0.000 0.779 1272 G HN 0.396 nan 8.290 nan 0.000 0.543 1273 E N -0.271 119.851 120.200 -0.131 0.000 2.070 1273 E HA -0.155 4.215 4.350 0.034 0.000 0.197 1273 E C 2.398 178.876 176.600 -0.203 0.000 1.004 1273 E CA 0.922 57.220 56.400 -0.169 0.000 0.805 1273 E CB -0.231 29.306 29.700 -0.271 0.000 0.744 1273 E HN 0.305 nan 8.360 nan 0.000 0.451 1274 L N 0.660 121.700 121.223 -0.304 0.000 2.042 1274 L HA -0.174 4.187 4.340 0.034 0.000 0.210 1274 L C 2.195 179.020 176.870 -0.074 0.000 1.076 1274 L CA 1.354 56.062 54.840 -0.220 0.000 0.749 1274 L CB -0.354 41.582 42.059 -0.204 0.000 0.893 1274 L HN -0.026 nan 8.230 nan 0.000 0.432 1275 V N -0.238 119.646 119.914 -0.050 0.000 2.237 1275 V HA -0.320 3.821 4.120 0.034 0.000 0.245 1275 V C 2.316 178.418 176.094 0.013 0.000 1.046 1275 V CA 2.058 64.337 62.300 -0.034 0.000 1.007 1275 V CB -0.774 30.970 31.823 -0.132 0.000 0.638 1275 V HN 0.418 nan 8.190 nan 0.000 0.445 1276 D N -0.046 120.355 120.400 0.002 0.000 2.116 1276 D HA -0.158 4.502 4.640 0.034 0.000 0.193 1276 D C 2.042 178.361 176.300 0.032 0.000 0.998 1276 D CA 1.144 55.165 54.000 0.035 0.000 0.836 1276 D CB -0.353 40.457 40.800 0.017 0.000 0.951 1276 D HN 0.160 nan 8.370 nan 0.000 0.449 1277 L N 0.642 121.864 121.223 -0.002 0.000 2.046 1277 L HA -0.028 4.332 4.340 0.034 0.000 0.208 1277 L C 2.523 179.410 176.870 0.027 0.000 1.077 1277 L CA 1.637 56.477 54.840 0.001 0.000 0.747 1277 L CB -1.624 40.413 42.059 -0.037 0.000 0.896 1277 L HN 0.079 nan 8.230 nan 0.000 0.432 1278 G N -1.044 107.776 108.800 0.034 0.000 2.446 1278 G HA2 -0.198 3.782 3.960 0.034 0.000 0.217 1278 G HA3 -0.198 3.782 3.960 0.034 0.000 0.217 1278 G C 1.756 176.716 174.900 0.101 0.000 1.168 1278 G CA 1.048 46.191 45.100 0.071 0.000 0.771 1278 G HN 0.272 nan 8.290 nan 0.000 0.551 1279 V N 0.818 120.801 119.914 0.115 0.000 2.295 1279 V HA -0.150 3.991 4.120 0.034 0.000 0.246 1279 V C 2.701 178.843 176.094 0.081 0.000 1.049 1279 V CA 2.208 64.582 62.300 0.124 0.000 1.024 1279 V CB -0.386 31.541 31.823 0.172 0.000 0.648 1279 V HN 0.400 nan 8.190 nan 0.000 0.447 1280 K N -0.138 120.302 120.400 0.066 0.000 2.103 1280 K HA -0.196 4.145 4.320 0.034 0.000 0.207 1280 K C 1.731 178.358 176.600 0.045 0.000 1.048 1280 K CA 1.433 57.749 56.287 0.048 0.000 0.930 1280 K CB -0.011 32.512 32.500 0.039 0.000 0.716 1280 K HN 0.371 nan 8.250 nan 0.000 0.444 1281 E N 0.737 120.967 120.200 0.051 0.000 2.465 1281 E HA -0.007 4.363 4.350 0.034 0.000 0.191 1281 E C -0.240 176.395 176.600 0.058 0.000 1.053 1281 E CA 0.125 56.555 56.400 0.051 0.000 0.869 1281 E CB 0.491 30.221 29.700 0.051 0.000 0.977 1281 E HN 0.184 nan 8.360 nan 0.000 0.483 1282 K N -0.132 120.306 120.400 0.063 0.000 3.160 1282 K HA -0.193 4.148 4.320 0.034 0.000 0.280 1282 K C 0.889 177.537 176.600 0.081 0.000 1.154 1282 K CA 0.445 56.769 56.287 0.062 0.000 0.822 1282 K CB -2.123 30.402 32.500 0.041 0.000 1.239 1282 K HN 0.254 nan 8.250 nan 0.000 0.489 1283 L N -0.548 120.746 121.223 0.118 0.000 2.298 1283 L HA 0.234 4.595 4.340 0.034 0.000 0.209 1283 L C 1.151 178.180 176.870 0.264 0.000 1.084 1283 L CA 0.443 55.392 54.840 0.182 0.000 0.816 1283 L CB 0.177 42.361 42.059 0.208 0.000 0.967 1283 L HN 0.104 nan 8.230 nan 0.000 0.460 1284 I N 0.031 120.735 120.570 0.223 0.000 2.378 1284 I HA 0.198 4.389 4.170 0.034 0.000 0.291 1284 I C -0.175 176.040 176.117 0.164 0.000 0.992 1284 I CA -0.544 60.906 61.300 0.249 0.000 1.154 1284 I CB 2.006 40.153 38.000 0.245 0.000 1.315 1284 I HN -0.077 nan 8.210 nan 0.000 0.448 1285 E N 6.097 126.373 120.200 0.127 0.000 2.301 1285 E HA 0.265 4.636 4.350 0.034 0.000 0.275 1285 E C -0.762 175.845 176.600 0.012 0.000 1.030 1285 E CA -0.337 56.095 56.400 0.053 0.000 0.852 1285 E CB 1.012 30.725 29.700 0.021 0.000 1.060 1285 E HN 0.320 nan 8.360 nan 0.000 0.401 1286 K N 2.744 123.106 120.400 -0.064 0.000 2.616 1286 K HA 0.526 4.867 4.320 0.034 0.000 0.241 1286 K C -1.722 174.791 176.600 -0.144 0.000 0.961 1286 K CA -0.635 55.519 56.287 -0.222 0.000 0.942 1286 K CB 1.088 33.387 32.500 -0.335 0.000 1.153 1286 K HN 0.506 nan 8.250 nan 0.000 0.452 1287 A N 3.387 126.152 122.820 -0.091 0.000 2.444 1287 A HA 0.603 4.944 4.320 0.034 0.000 0.332 1287 A C 0.798 178.378 177.584 -0.007 0.000 1.430 1287 A CA 0.383 52.402 52.037 -0.031 0.000 0.975 1287 A CB 0.109 19.110 19.000 0.002 0.000 1.147 1287 A HN 1.022 nan 8.150 nan 0.000 0.524 1288 G N 1.955 110.727 108.800 -0.046 0.000 2.687 1288 G HA2 -0.069 3.911 3.960 0.034 0.000 0.303 1288 G HA3 -0.069 3.911 3.960 0.034 0.000 0.303 1288 G C 1.289 176.122 174.900 -0.111 0.000 1.209 1288 G CA 0.892 45.966 45.100 -0.043 0.000 0.968 1288 G HN 1.987 nan 8.290 nan 0.000 0.549 1289 A N -0.874 121.885 122.820 -0.102 0.000 2.303 1289 A HA 0.517 4.858 4.320 0.034 0.000 0.217 1289 A C 0.607 178.033 177.584 -0.264 0.000 1.205 1289 A CA 0.445 52.367 52.037 -0.190 0.000 0.875 1289 A CB 0.055 18.939 19.000 -0.192 0.000 0.910 1289 A HN 0.565 nan 8.150 nan 0.000 0.501 1290 W N -0.125 121.084 121.300 -0.152 0.000 2.335 1290 W HA 0.502 5.162 4.660 -0.001 0.000 0.306 1290 W C -0.722 175.674 176.519 -0.206 0.000 1.216 1290 W CA -0.062 57.224 57.345 -0.099 0.000 1.237 1290 W CB 0.358 29.778 29.460 -0.067 0.000 1.243 1290 W HN 0.234 nan 8.180 nan 0.000 0.493 1291 Y N 2.563 123.005 120.300 0.236 0.000 2.330 1291 Y HA 0.452 5.020 4.550 0.030 0.000 0.336 1291 Y C 0.490 176.448 175.900 0.098 0.000 1.036 1291 Y CA -0.352 57.820 58.100 0.120 0.000 1.125 1291 Y CB 1.415 39.903 38.460 0.047 0.000 1.194 1291 Y HN 0.141 nan 8.280 nan 0.000 0.469 1292 S N 2.415 118.220 115.700 0.175 0.000 2.526 1292 S HA 0.428 4.918 4.470 0.034 0.000 0.293 1292 S C -1.968 172.699 174.600 0.111 0.000 1.092 1292 S CA -0.803 57.437 58.200 0.067 0.000 0.980 1292 S CB 1.392 64.597 63.200 0.010 0.000 1.048 1292 S HN 0.492 nan 8.310 nan 0.000 0.483 1293 Y N 2.595 122.825 120.300 -0.116 0.000 2.350 1293 Y HA 0.378 4.946 4.550 0.031 0.000 0.338 1293 Y C 0.129 176.005 175.900 -0.040 0.000 0.961 1293 Y CA -1.070 56.993 58.100 -0.061 0.000 1.100 1293 Y CB 0.695 39.117 38.460 -0.065 0.000 1.179 1293 Y HN 0.799 nan 8.280 nan 0.000 0.454 1294 K N 4.854 124.923 120.400 -0.553 0.000 3.177 1294 K HA -0.273 4.068 4.320 0.034 0.000 0.266 1294 K C 0.956 177.435 176.600 -0.203 0.000 0.937 1294 K CA 1.026 57.050 56.287 -0.437 0.000 0.702 1294 K CB -1.668 30.482 32.500 -0.584 0.000 1.365 1294 K HN 1.298 nan 8.250 nan 0.000 0.466 1295 G N -0.132 108.584 108.800 -0.140 0.000 2.320 1295 G HA2 -0.346 3.635 3.960 0.034 0.000 0.242 1295 G HA3 -0.346 3.635 3.960 0.034 0.000 0.242 1295 G C -0.110 174.732 174.900 -0.095 0.000 1.033 1295 G CA 0.428 45.468 45.100 -0.101 0.000 0.620 1295 G HN 0.458 nan 8.290 nan 0.000 0.517 1296 E N 1.534 121.679 120.200 -0.091 0.000 2.200 1296 E HA 0.377 4.748 4.350 0.034 0.000 0.283 1296 E C 0.077 176.594 176.600 -0.137 0.000 1.015 1296 E CA -0.516 55.828 56.400 -0.093 0.000 0.819 1296 E CB 0.430 30.104 29.700 -0.043 0.000 1.081 1296 E HN 0.366 nan 8.360 nan 0.000 0.397 1297 K N 4.163 124.472 120.400 -0.151 0.000 2.412 1297 K HA 0.071 4.412 4.320 0.034 0.000 0.281 1297 K C 1.164 177.649 176.600 -0.192 0.000 1.027 1297 K CA 0.199 56.411 56.287 -0.125 0.000 0.989 1297 K CB 0.515 32.877 32.500 -0.230 0.000 0.935 1297 K HN 0.535 nan 8.250 nan 0.000 0.475 1298 I N -1.489 118.947 120.570 -0.223 0.000 4.187 1298 I HA 0.329 4.519 4.170 0.034 0.000 0.326 1298 I C 0.561 176.570 176.117 -0.180 0.000 1.302 1298 I CA -0.324 60.587 61.300 -0.648 0.000 1.196 1298 I CB 1.026 38.336 38.000 -1.150 0.000 1.095 1298 I HN 0.567 nan 8.210 nan 0.000 0.411 1299 G N 1.362 110.251 108.800 0.149 0.000 2.384 1299 G HA2 0.180 4.160 3.960 0.034 0.000 0.300 1299 G HA3 0.180 4.160 3.960 0.034 0.000 0.300 1299 G C -2.085 172.798 174.900 -0.029 0.000 1.582 1299 G CA -0.697 44.472 45.100 0.116 0.000 0.875 1299 G HN 0.210 nan 8.290 nan 0.000 0.628 1300 Q N 0.382 119.878 119.800 -0.505 0.000 2.303 1300 Q HA 0.554 4.915 4.340 0.034 0.000 0.257 1300 Q C 0.462 176.294 176.000 -0.279 0.000 0.941 1300 Q CA 0.561 55.886 55.803 -0.796 0.000 0.931 1300 Q CB 1.102 29.017 28.738 -1.371 0.000 1.215 1300 Q HN 2.401 nan 8.270 nan 0.000 0.437 1301 G N 3.012 111.786 108.800 -0.043 0.000 2.722 1301 G HA2 -0.255 3.726 3.960 0.034 0.000 0.686 1301 G HA3 -0.255 3.726 3.960 0.034 0.000 0.686 1301 G C 0.014 174.932 174.900 0.031 0.000 1.282 1301 G CA -0.024 45.114 45.100 0.063 0.000 0.817 1301 G HN 0.798 nan 8.290 nan 0.000 0.605 1302 K N 1.026 121.434 120.400 0.013 0.000 2.074 1302 K HA -0.053 4.287 4.320 0.034 0.000 0.209 1302 K C 2.994 179.478 176.600 -0.193 0.000 1.048 1302 K CA 2.557 58.700 56.287 -0.240 0.000 0.926 1302 K CB -0.361 32.092 32.500 -0.079 0.000 0.713 1302 K HN 1.201 nan 8.250 nan 0.000 0.444 1303 A N 1.286 124.051 122.820 -0.092 0.000 1.892 1303 A HA -0.267 4.073 4.320 0.034 0.000 0.218 1303 A C 1.803 179.351 177.584 -0.060 0.000 1.188 1303 A CA 2.194 54.195 52.037 -0.061 0.000 0.631 1303 A CB -0.902 18.076 19.000 -0.037 0.000 0.822 1303 A HN 0.567 nan 8.150 nan 0.000 0.447 1304 N N -0.516 118.143 118.700 -0.069 0.000 2.216 1304 N HA 0.016 4.776 4.740 0.034 0.000 0.183 1304 N C 2.007 177.512 175.510 -0.007 0.000 1.017 1304 N CA 0.778 53.809 53.050 -0.031 0.000 0.861 1304 N CB -0.205 38.256 38.487 -0.044 0.000 0.986 1304 N HN 0.503 nan 8.380 nan 0.000 0.428 1305 A N 0.835 123.587 122.820 -0.112 0.000 1.902 1305 A HA -0.144 4.196 4.320 0.034 0.000 0.217 1305 A C 2.277 179.848 177.584 -0.022 0.000 1.181 1305 A CA 1.717 53.680 52.037 -0.123 0.000 0.623 1305 A CB -0.998 17.693 19.000 -0.514 0.000 0.818 1305 A HN 0.208 nan 8.150 nan 0.000 0.443 1306 T N 0.502 115.008 114.554 -0.079 0.000 2.652 1306 T HA -0.077 4.294 4.350 0.034 0.000 0.267 1306 T C 2.240 176.923 174.700 -0.030 0.000 1.039 1306 T CA 1.784 63.872 62.100 -0.020 0.000 1.153 1306 T CB -0.577 68.285 68.868 -0.011 0.000 0.863 1306 T HN 0.624 nan 8.240 nan 0.000 0.428 1307 A N 0.336 123.149 122.820 -0.012 0.000 1.940 1307 A HA -0.147 4.193 4.320 0.034 0.000 0.219 1307 A C 2.059 179.627 177.584 -0.026 0.000 1.176 1307 A CA 1.708 53.729 52.037 -0.026 0.000 0.631 1307 A CB -1.177 17.827 19.000 0.008 0.000 0.814 1307 A HN 0.715 nan 8.150 nan 0.000 0.446 1308 W N 0.433 121.664 121.300 -0.115 0.000 2.379 1308 W HA -0.115 4.570 4.660 0.042 0.000 0.307 1308 W C 1.837 178.263 176.519 -0.154 0.000 1.200 1308 W CA 1.837 59.125 57.345 -0.096 0.000 1.297 1308 W CB -0.274 29.162 29.460 -0.040 0.000 1.140 1308 W HN 0.255 nan 8.180 nan 0.000 0.507 1309 L N 0.551 121.763 121.223 -0.017 0.000 2.046 1309 L HA -0.229 4.132 4.340 0.034 0.000 0.208 1309 L C 2.564 179.026 176.870 -0.680 0.000 1.077 1309 L CA 1.627 56.309 54.840 -0.264 0.000 0.747 1309 L CB -0.926 41.110 42.059 -0.038 0.000 0.896 1309 L HN -0.084 nan 8.230 nan 0.000 0.432 1310 K N -0.103 119.796 120.400 -0.834 0.000 2.103 1310 K HA -0.246 4.095 4.320 0.034 0.000 0.207 1310 K C 1.579 177.873 176.600 -0.509 0.000 1.048 1310 K CA 1.859 57.598 56.287 -0.912 0.000 0.930 1310 K CB -0.003 32.192 32.500 -0.508 0.000 0.716 1310 K HN 0.186 nan 8.250 nan 0.000 0.444 1311 D N -0.254 119.878 120.400 -0.447 0.000 2.249 1311 D HA -0.027 4.634 4.640 0.034 0.000 0.205 1311 D C -0.429 175.598 176.300 -0.455 0.000 0.962 1311 D CA 0.663 54.435 54.000 -0.380 0.000 0.860 1311 D CB 0.208 40.805 40.800 -0.338 0.000 0.955 1311 D HN 0.096 nan 8.370 nan 0.000 0.505 1312 N N 0.013 118.330 118.700 -0.640 0.000 2.976 1312 N HA 0.212 4.973 4.740 0.034 0.000 0.255 1312 N C -2.164 173.119 175.510 -0.379 0.000 1.312 1312 N CA -1.134 51.555 53.050 -0.602 0.000 0.897 1312 N CB 1.784 39.628 38.487 -1.072 0.000 1.184 1312 N HN 0.010 nan 8.380 nan 0.000 0.497 1313 P HA -0.115 nan 4.420 nan 0.000 0.221 1313 P C 0.896 178.167 177.300 -0.050 0.000 1.150 1313 P CA 1.048 64.088 63.100 -0.101 0.000 0.800 1313 P CB 0.464 32.125 31.700 -0.065 0.000 0.787 1314 E N -0.492 119.665 120.200 -0.072 0.000 2.047 1314 E HA -0.104 4.267 4.350 0.034 0.000 0.191 1314 E C 1.828 178.423 176.600 -0.008 0.000 0.987 1314 E CA 1.482 57.865 56.400 -0.028 0.000 0.799 1314 E CB -1.782 27.902 29.700 -0.026 0.000 0.752 1314 E HN 0.248 nan 8.360 nan 0.000 0.449 1315 T N 1.744 116.273 114.554 -0.041 0.000 2.821 1315 T HA -0.029 4.341 4.350 0.034 0.000 0.267 1315 T C 2.048 176.726 174.700 -0.036 0.000 1.046 1315 T CA 1.415 63.509 62.100 -0.011 0.000 1.139 1315 T CB -0.252 68.617 68.868 0.002 0.000 0.871 1315 T HN 0.318 nan 8.240 nan 0.000 0.454 1316 A N 2.147 124.952 122.820 -0.025 0.000 1.883 1316 A HA -0.147 4.194 4.320 0.034 0.000 0.217 1316 A C 2.305 179.954 177.584 0.109 0.000 1.186 1316 A CA 1.292 53.379 52.037 0.083 0.000 0.624 1316 A CB -0.341 18.794 19.000 0.225 0.000 0.822 1316 A HN 0.199 nan 8.150 nan 0.000 0.444 1317 K N -0.136 120.316 120.400 0.086 0.000 2.063 1317 K HA -0.189 4.152 4.320 0.034 0.000 0.208 1317 K C 1.920 178.560 176.600 0.066 0.000 1.048 1317 K CA 1.672 58.003 56.287 0.075 0.000 0.928 1317 K CB -0.559 31.968 32.500 0.044 0.000 0.713 1317 K HN 0.798 nan 8.250 nan 0.000 0.442 1318 E N 0.644 120.879 120.200 0.059 0.000 2.051 1318 E HA -0.155 4.215 4.350 0.034 0.000 0.192 1318 E C 2.106 178.753 176.600 0.078 0.000 0.991 1318 E CA 1.050 57.495 56.400 0.076 0.000 0.799 1318 E CB -0.049 29.715 29.700 0.106 0.000 0.748 1318 E HN 0.232 nan 8.360 nan 0.000 0.449 1319 I N 0.974 121.568 120.570 0.040 0.000 2.226 1319 I HA -0.241 3.949 4.170 0.034 0.000 0.245 1319 I C 2.726 178.874 176.117 0.052 0.000 1.100 1319 I CA 1.275 62.594 61.300 0.032 0.000 1.374 1319 I CB -0.393 37.569 38.000 -0.063 0.000 1.057 1319 I HN 0.261 nan 8.210 nan 0.000 0.413 1320 E N 1.593 121.831 120.200 0.063 0.000 2.077 1320 E HA -0.303 4.068 4.350 0.034 0.000 0.193 1320 E C 2.227 178.866 176.600 0.064 0.000 0.989 1320 E CA 1.435 57.878 56.400 0.072 0.000 0.800 1320 E CB 0.020 29.805 29.700 0.141 0.000 0.746 1320 E HN 0.336 nan 8.360 nan 0.000 0.452 1321 K N 0.685 121.124 120.400 0.065 0.000 2.063 1321 K HA -0.199 4.142 4.320 0.034 0.000 0.208 1321 K C 2.093 178.725 176.600 0.053 0.000 1.048 1321 K CA 1.656 57.976 56.287 0.055 0.000 0.928 1321 K CB 0.072 32.604 32.500 0.053 0.000 0.713 1321 K HN -0.046 nan 8.250 nan 0.000 0.442 1322 K N -0.028 120.409 120.400 0.062 0.000 2.057 1322 K HA -0.068 4.273 4.320 0.034 0.000 0.206 1322 K C 1.949 178.581 176.600 0.053 0.000 1.050 1322 K CA 1.199 57.524 56.287 0.064 0.000 0.935 1322 K CB 0.039 32.590 32.500 0.086 0.000 0.715 1322 K HN -0.040 nan 8.250 nan 0.000 0.439 1323 V N 1.358 121.301 119.914 0.048 0.000 2.392 1323 V HA -0.269 3.872 4.120 0.034 0.000 0.249 1323 V C 2.182 178.293 176.094 0.029 0.000 1.059 1323 V CA 1.731 64.051 62.300 0.034 0.000 1.051 1323 V CB -0.439 31.393 31.823 0.015 0.000 0.658 1323 V HN 0.271 nan 8.190 nan 0.000 0.455 1324 R N -0.313 120.207 120.500 0.033 0.000 2.066 1324 R HA -0.134 4.227 4.340 0.034 0.000 0.232 1324 R C 2.357 178.676 176.300 0.031 0.000 1.131 1324 R CA 1.549 57.667 56.100 0.030 0.000 0.955 1324 R CB -0.286 30.034 30.300 0.034 0.000 0.851 1324 R HN 0.594 nan 8.270 nan 0.000 0.432 1325 E N 0.603 120.823 120.200 0.034 0.000 2.085 1325 E HA -0.204 4.167 4.350 0.034 0.000 0.194 1325 E C 1.969 178.589 176.600 0.032 0.000 0.994 1325 E CA 1.115 57.535 56.400 0.033 0.000 0.801 1325 E CB -0.063 29.658 29.700 0.036 0.000 0.743 1325 E HN 0.286 nan 8.360 nan 0.000 0.453 1326 L N -0.003 121.241 121.223 0.034 0.000 2.156 1326 L HA -0.105 4.256 4.340 0.034 0.000 0.208 1326 L C 2.019 178.907 176.870 0.031 0.000 1.095 1326 L CA 0.761 55.621 54.840 0.034 0.000 0.770 1326 L CB 0.077 42.158 42.059 0.037 0.000 0.914 1326 L HN 0.149 nan 8.230 nan 0.000 0.439 1327 L N -1.350 119.891 121.223 0.029 0.000 2.701 1327 L HA 0.191 4.552 4.340 0.034 0.000 0.238 1327 L C 0.388 177.274 176.870 0.028 0.000 1.106 1327 L CA -0.264 54.593 54.840 0.028 0.000 0.898 1327 L CB 0.501 42.574 42.059 0.024 0.000 1.188 1327 L HN 0.054 nan 8.230 nan 0.000 0.508 1328 L N 0.640 121.879 121.223 0.027 0.000 2.360 1328 L HA 0.097 4.458 4.340 0.034 0.000 0.276 1328 L C 1.447 178.334 176.870 0.029 0.000 1.121 1328 L CA -0.098 54.757 54.840 0.025 0.000 0.845 1328 L CB 1.508 43.580 42.059 0.022 0.000 1.143 1328 L HN 0.166 nan 8.230 nan 0.000 0.452 1329 S N 0.999 116.717 115.700 0.030 0.000 2.496 1329 S HA 0.001 4.492 4.470 0.034 0.000 0.224 1329 S C 0.605 175.227 174.600 0.037 0.000 0.996 1329 S CA 0.049 58.272 58.200 0.038 0.000 0.927 1329 S CB -0.125 63.103 63.200 0.046 0.000 0.774 1329 S HN 0.745 nan 8.310 nan 0.000 0.524 1330 N N 2.141 120.857 118.700 0.028 0.000 2.765 1330 N HA 0.420 5.180 4.740 0.034 0.000 0.277 1330 N C -3.276 172.246 175.510 0.020 0.000 1.750 1330 N CA -1.192 51.874 53.050 0.026 0.000 0.827 1330 N CB 1.368 39.866 38.487 0.019 0.000 1.200 1330 N HN 0.214 nan 8.380 nan 0.000 0.494 1331 P HA 0.204 nan 4.420 nan 0.000 0.271 1331 P C -0.032 177.277 177.300 0.016 0.000 1.216 1331 P CA 0.072 63.183 63.100 0.018 0.000 0.771 1331 P CB 0.630 32.342 31.700 0.020 0.000 0.864 1332 N N -1.613 117.095 118.700 0.012 0.000 2.180 1332 N HA -0.056 4.705 4.740 0.034 0.000 0.221 1332 N C -0.357 175.157 175.510 0.007 0.000 1.456 1332 N CA -0.161 52.895 53.050 0.010 0.000 1.302 1332 N CB -1.012 37.481 38.487 0.009 0.000 1.068 1332 N HN 0.255 nan 8.380 nan 0.000 0.681 2002 I N 1.521 122.091 120.570 0.000 0.000 2.406 2002 I HA -0.050 4.140 4.170 0.034 0.000 0.249 2002 I C 1.922 178.039 176.117 -0.000 0.000 1.122 2002 I CA 1.665 62.965 61.300 0.000 0.000 1.431 2002 I CB -0.115 37.885 38.000 -0.000 0.000 1.087 2002 I HN 0.482 nan 8.210 nan 0.000 0.424 2003 D N 0.451 120.850 120.400 -0.002 0.000 2.354 2003 D HA -0.091 4.570 4.640 0.034 0.000 0.209 2003 D C 1.580 177.879 176.300 -0.002 0.000 1.015 2003 D CA 0.536 54.534 54.000 -0.002 0.000 0.867 2003 D CB -0.195 40.603 40.800 -0.004 0.000 0.933 2003 D HN 0.354 nan 8.370 nan 0.000 0.520 2004 E N -0.051 120.148 120.200 -0.001 0.000 2.299 2004 E HA 0.030 4.401 4.350 0.034 0.000 0.193 2004 E C 1.477 178.078 176.600 0.001 0.000 0.998 2004 E CA 0.143 56.543 56.400 -0.000 0.000 0.851 2004 E CB 0.126 29.825 29.700 -0.000 0.000 0.795 2004 E HN 0.148 nan 8.360 nan 0.000 0.492 2005 N N 0.892 119.593 118.700 0.001 0.000 2.270 2005 N HA -0.080 4.681 4.740 0.034 0.000 0.181 2005 N C 1.373 176.884 175.510 0.002 0.000 1.016 2005 N CA 0.811 53.862 53.050 0.002 0.000 0.870 2005 N CB 0.085 38.573 38.487 0.003 0.000 0.979 2005 N HN 0.111 nan 8.380 nan 0.000 0.431 2006 K N 1.085 121.486 120.400 0.001 0.000 2.002 2006 K HA -0.097 4.244 4.320 0.034 0.000 0.209 2006 K C 2.035 178.635 176.600 0.001 0.000 1.048 2006 K CA 1.173 57.460 56.287 0.001 0.000 0.930 2006 K CB -0.097 32.403 32.500 -0.001 0.000 0.714 2006 K HN 0.258 nan 8.250 nan 0.000 0.438 2007 Q N 0.602 120.402 119.800 0.000 0.000 2.124 2007 Q HA -0.158 4.202 4.340 0.034 0.000 0.202 2007 Q C 2.168 178.170 176.000 0.002 0.000 0.977 2007 Q CA 1.174 56.977 55.803 0.001 0.000 0.850 2007 Q CB -0.004 28.734 28.738 -0.000 0.000 0.901 2007 Q HN 0.211 nan 8.270 nan 0.000 0.429 2008 K N 0.775 121.176 120.400 0.002 0.000 2.009 2008 K HA -0.167 4.173 4.320 0.034 0.000 0.210 2008 K C 1.970 178.572 176.600 0.004 0.000 1.049 2008 K CA 1.442 57.731 56.287 0.003 0.000 0.929 2008 K CB -0.165 32.337 32.500 0.003 0.000 0.714 2008 K HN 0.154 nan 8.250 nan 0.000 0.440 2009 A N 1.364 124.187 122.820 0.004 0.000 1.969 2009 A HA -0.102 4.238 4.320 0.034 0.000 0.218 2009 A C 2.066 179.653 177.584 0.006 0.000 1.169 2009 A CA 1.038 53.078 52.037 0.005 0.000 0.635 2009 A CB -0.455 18.548 19.000 0.005 0.000 0.810 2009 A HN 0.395 nan 8.150 nan 0.000 0.445 2010 L N -0.116 121.110 121.223 0.005 0.000 1.976 2010 L HA -0.041 4.320 4.340 0.034 0.000 0.209 2010 L C 2.721 179.596 176.870 0.009 0.000 1.071 2010 L CA 2.269 57.113 54.840 0.006 0.000 0.746 2010 L CB -0.870 41.192 42.059 0.004 0.000 0.890 2010 L HN 0.322 nan 8.230 nan 0.000 0.432 2011 A N -0.455 122.370 122.820 0.007 0.000 1.917 2011 A HA -0.195 4.145 4.320 0.034 0.000 0.219 2011 A C 2.434 180.024 177.584 0.010 0.000 1.182 2011 A CA 2.180 54.222 52.037 0.008 0.000 0.633 2011 A CB -1.280 17.724 19.000 0.006 0.000 0.819 2011 A HN 0.623 nan 8.150 nan 0.000 0.448 2012 A N -0.264 122.561 122.820 0.008 0.000 1.877 2012 A HA 0.167 4.508 4.320 0.034 0.000 0.216 2012 A C 2.541 180.132 177.584 0.012 0.000 1.186 2012 A CA 2.187 54.229 52.037 0.008 0.000 0.620 2012 A CB -1.098 17.905 19.000 0.006 0.000 0.822 2012 A HN 1.109 nan 8.150 nan 0.000 0.443 2013 A N -0.772 122.057 122.820 0.015 0.000 1.902 2013 A HA -0.005 4.336 4.320 0.034 0.000 0.217 2013 A C 2.048 179.651 177.584 0.032 0.000 1.181 2013 A CA 1.705 53.756 52.037 0.023 0.000 0.623 2013 A CB -0.566 18.447 19.000 0.022 0.000 0.818 2013 A HN 0.391 nan 8.150 nan 0.000 0.443 2014 L N -0.067 121.173 121.223 0.028 0.000 2.017 2014 L HA -0.091 4.270 4.340 0.034 0.000 0.208 2014 L C 2.774 179.665 176.870 0.034 0.000 1.073 2014 L CA 2.045 56.905 54.840 0.034 0.000 0.745 2014 L CB -1.273 40.800 42.059 0.024 0.000 0.894 2014 L HN 0.399 nan 8.230 nan 0.000 0.432 2015 G N -1.744 107.069 108.800 0.022 0.000 2.442 2015 G HA2 -0.360 3.620 3.960 0.034 0.000 0.219 2015 G HA3 -0.360 3.620 3.960 0.034 0.000 0.219 2015 G C 1.575 176.482 174.900 0.010 0.000 1.141 2015 G CA 0.959 46.068 45.100 0.015 0.000 0.763 2015 G HN 0.393 nan 8.290 nan 0.000 0.554 2016 Q N 0.298 120.104 119.800 0.010 0.000 2.050 2016 Q HA 0.014 4.375 4.340 0.034 0.000 0.202 2016 Q C 2.441 178.440 176.000 -0.001 0.000 0.980 2016 Q CA 1.232 57.033 55.803 -0.004 0.000 0.840 2016 Q CB -0.364 28.375 28.738 0.002 0.000 0.898 2016 Q HN 0.555 nan 8.270 nan 0.000 0.424 2017 I N 0.446 121.055 120.570 0.064 0.000 2.208 2017 I HA -0.280 3.911 4.170 0.034 0.000 0.245 2017 I C 2.160 178.374 176.117 0.161 0.000 1.097 2017 I CA 1.542 62.947 61.300 0.176 0.000 1.363 2017 I CB -0.304 37.813 38.000 0.196 0.000 1.051 2017 I HN 0.312 nan 8.210 nan 0.000 0.413 2018 E N 0.528 120.782 120.200 0.090 0.000 2.106 2018 E HA -0.245 4.126 4.350 0.034 0.000 0.192 2018 E C 2.143 178.756 176.600 0.022 0.000 0.984 2018 E CA 0.901 57.343 56.400 0.071 0.000 0.806 2018 E CB -0.071 29.658 29.700 0.049 0.000 0.750 2018 E HN 0.392 nan 8.360 nan 0.000 0.458 2019 K N 0.929 121.318 120.400 -0.018 0.000 2.057 2019 K HA -0.178 4.163 4.320 0.034 0.000 0.206 2019 K C 2.176 178.700 176.600 -0.126 0.000 1.050 2019 K CA 1.208 57.462 56.287 -0.055 0.000 0.935 2019 K CB 0.111 32.579 32.500 -0.053 0.000 0.715 2019 K HN 0.065 nan 8.250 nan 0.000 0.439 2020 Q N -1.161 118.493 119.800 -0.243 0.000 2.083 2020 Q HA -0.078 4.283 4.340 0.034 0.000 0.198 2020 Q C 0.866 176.499 176.000 -0.611 0.000 0.969 2020 Q CA 1.274 56.745 55.803 -0.552 0.000 0.838 2020 Q CB 0.237 28.391 28.738 -0.973 0.000 0.900 2020 Q HN 0.249 nan 8.270 nan 0.000 0.436 2021 F N -0.996 118.959 119.950 0.009 0.000 2.688 2021 F HA 0.390 4.937 4.527 0.035 0.000 0.310 2021 F C 0.724 176.532 175.800 0.014 0.000 1.098 2021 F CA 0.279 58.286 58.000 0.012 0.000 1.228 2021 F CB 1.090 40.097 39.000 0.013 0.000 1.042 2021 F HN 0.022 nan 8.300 nan 0.000 0.557 2022 G N 0.379 109.251 108.800 0.120 0.000 2.663 2022 G HA2 -0.165 3.816 3.960 0.034 0.000 0.686 2022 G HA3 -0.165 3.816 3.960 0.034 0.000 0.686 2022 G C 0.569 175.516 174.900 0.078 0.000 1.288 2022 G CA -0.749 44.401 45.100 0.083 0.000 0.836 2022 G HN -0.096 nan 8.290 nan 0.000 0.584 2023 K N 0.235 120.667 120.400 0.054 0.000 1.974 2023 K HA -0.151 4.189 4.320 0.034 0.000 0.231 2023 K C 2.436 179.066 176.600 0.051 0.000 1.035 2023 K CA 2.154 58.467 56.287 0.044 0.000 1.044 2023 K CB -0.993 31.527 32.500 0.034 0.000 0.738 2023 K HN 1.225 nan 8.250 nan 0.000 0.447 2024 G N 1.114 109.943 108.800 0.049 0.000 3.332 2024 G HA2 -0.007 3.974 3.960 0.034 0.000 0.242 2024 G HA3 -0.007 3.974 3.960 0.034 0.000 0.242 2024 G C 1.153 176.082 174.900 0.050 0.000 1.276 2024 G CA 0.556 45.683 45.100 0.044 0.000 0.988 2024 G HN 0.389 nan 8.290 nan 0.000 0.517 2025 S N -0.559 115.181 115.700 0.068 0.000 2.453 2025 S HA 0.167 4.658 4.470 0.034 0.000 0.231 2025 S C 0.672 175.297 174.600 0.042 0.000 1.005 2025 S CA 0.134 58.375 58.200 0.068 0.000 0.949 2025 S CB 0.271 63.549 63.200 0.131 0.000 0.774 2025 S HN 0.373 nan 8.310 nan 0.000 0.510 2026 I N 1.102 121.701 120.570 0.047 0.000 2.692 2026 I HA 0.589 4.780 4.170 0.034 0.000 0.293 2026 I C -1.357 174.778 176.117 0.029 0.000 1.200 2026 I CA -1.217 60.103 61.300 0.032 0.000 1.036 2026 I CB 1.956 39.978 38.000 0.036 0.000 1.258 2026 I HN 0.393 nan 8.210 nan 0.000 0.421 2027 M N 4.123 123.737 119.600 0.022 0.000 2.949 2027 M HA 0.581 5.081 4.480 0.034 0.000 0.270 2027 M C -1.274 175.034 176.300 0.013 0.000 1.221 2027 M CA -1.080 54.231 55.300 0.018 0.000 0.818 2027 M CB 1.467 34.077 32.600 0.017 0.000 1.635 2027 M HN 0.322 nan 8.290 nan 0.000 0.492 2028 R N 1.161 121.666 120.500 0.008 0.000 2.522 2028 R HA 0.247 4.607 4.340 0.034 0.000 0.284 2028 R C 0.981 177.278 176.300 -0.004 0.000 1.032 2028 R CA -0.076 56.025 56.100 0.002 0.000 1.049 2028 R CB 0.208 30.507 30.300 -0.001 0.000 0.956 2028 R HN 0.691 nan 8.270 nan 0.000 0.422 2029 L N 2.359 123.575 121.223 -0.012 0.000 2.013 2029 L HA -0.184 4.177 4.340 0.034 0.000 0.212 2029 L C 1.912 178.769 176.870 -0.022 0.000 1.073 2029 L CA 2.145 56.970 54.840 -0.025 0.000 0.753 2029 L CB -0.544 41.484 42.059 -0.051 0.000 0.890 2029 L HN 1.004 nan 8.230 nan 0.000 0.432 2030 G N -0.206 108.581 108.800 -0.022 0.000 2.485 2030 G HA2 -0.269 3.711 3.960 0.034 0.000 0.221 2030 G HA3 -0.269 3.711 3.960 0.034 0.000 0.221 2030 G C 1.125 176.019 174.900 -0.011 0.000 1.115 2030 G CA 0.951 46.040 45.100 -0.018 0.000 0.751 2030 G HN 0.722 nan 8.290 nan 0.000 0.567 2031 E N -0.204 119.992 120.200 -0.007 0.000 2.501 2031 E HA 0.108 4.478 4.350 0.034 0.000 0.201 2031 E C -0.467 176.133 176.600 0.001 0.000 1.016 2031 E CA -0.423 55.976 56.400 -0.002 0.000 0.920 2031 E CB 0.341 30.041 29.700 -0.000 0.000 1.023 2031 E HN 0.132 nan 8.360 nan 0.000 0.474 2032 D N 1.826 122.226 120.400 0.000 0.000 2.393 2032 D HA 0.076 4.737 4.640 0.034 0.000 0.232 2032 D C 0.765 177.068 176.300 0.005 0.000 1.192 2032 D CA -0.293 53.710 54.000 0.005 0.000 0.882 2032 D CB 0.707 41.509 40.800 0.004 0.000 1.038 2032 D HN -0.090 nan 8.370 nan 0.000 0.499 2033 R N 1.465 121.970 120.500 0.008 0.000 2.115 2033 R HA -0.091 4.269 4.340 0.034 0.000 0.230 2033 R C 1.902 178.210 176.300 0.012 0.000 1.111 2033 R CA 0.759 56.864 56.100 0.009 0.000 0.976 2033 R CB -0.869 29.436 30.300 0.009 0.000 0.870 2033 R HN 0.473 nan 8.270 nan 0.000 0.445 2034 S N -0.607 115.104 115.700 0.017 0.000 2.595 2034 S HA -0.079 4.412 4.470 0.034 0.000 0.235 2034 S C 1.701 176.318 174.600 0.028 0.000 0.974 2034 S CA 0.690 58.905 58.200 0.025 0.000 0.942 2034 S CB -0.021 63.199 63.200 0.033 0.000 0.766 2034 S HN 0.125 nan 8.310 nan 0.000 0.536 2035 M N 1.512 121.123 119.600 0.018 0.000 2.465 2035 M HA 0.314 4.815 4.480 0.034 0.000 0.249 2035 M C -0.732 175.574 176.300 0.010 0.000 1.130 2035 M CA 0.071 55.380 55.300 0.014 0.000 1.067 2035 M CB 0.215 32.815 32.600 0.000 0.000 1.394 2035 M HN 0.019 nan 8.290 nan 0.000 0.483 2036 D N 0.755 121.161 120.400 0.009 0.000 2.414 2036 D HA 0.071 4.732 4.640 0.034 0.000 0.242 2036 D C -0.435 175.870 176.300 0.009 0.000 1.129 2036 D CA 0.215 54.219 54.000 0.007 0.000 0.885 2036 D CB 0.989 41.793 40.800 0.006 0.000 1.198 2036 D HN -0.107 nan 8.370 nan 0.000 0.437 2037 V N 2.686 122.604 119.914 0.006 0.000 2.432 2037 V HA 0.108 4.249 4.120 0.034 0.000 0.271 2037 V C 0.593 176.688 176.094 0.002 0.000 1.046 2037 V CA -0.121 62.181 62.300 0.004 0.000 0.945 2037 V CB 0.912 32.734 31.823 -0.001 0.000 0.992 2037 V HN 0.424 nan 8.190 nan 0.000 0.471 2038 E N 3.508 123.709 120.200 0.001 0.000 2.212 2038 E HA 0.626 4.996 4.350 0.034 0.000 0.268 2038 E C -0.604 175.993 176.600 -0.006 0.000 0.902 2038 E CA -0.494 55.905 56.400 -0.002 0.000 0.779 2038 E CB 2.138 31.837 29.700 -0.001 0.000 1.172 2038 E HN 0.803 nan 8.360 nan 0.000 0.409 2039 T N 0.997 115.546 114.554 -0.008 0.000 2.924 2039 T HA 0.610 4.981 4.350 0.034 0.000 0.291 2039 T C -0.348 174.342 174.700 -0.017 0.000 1.045 2039 T CA -0.864 61.228 62.100 -0.012 0.000 1.015 2039 T CB 1.104 69.965 68.868 -0.012 0.000 1.103 2039 T HN 0.257 nan 8.240 nan 0.000 0.496 2040 I N 1.784 122.341 120.570 -0.021 0.000 2.569 2040 I HA 0.450 4.641 4.170 0.034 0.000 0.296 2040 I C 0.766 176.864 176.117 -0.032 0.000 1.028 2040 I CA -0.723 60.560 61.300 -0.029 0.000 1.082 2040 I CB 1.865 39.847 38.000 -0.030 0.000 1.264 2040 I HN 0.964 nan 8.210 nan 0.000 0.429 2041 S N 2.685 118.359 115.700 -0.043 0.000 2.573 2041 S HA 0.085 4.576 4.470 0.034 0.000 0.277 2041 S C 1.288 175.856 174.600 -0.052 0.000 1.346 2041 S CA 0.375 58.547 58.200 -0.047 0.000 1.034 2041 S CB 0.448 63.604 63.200 -0.074 0.000 0.879 2041 S HN 0.792 nan 8.310 nan 0.000 0.528 2042 T N 0.874 115.399 114.554 -0.047 0.000 3.081 2042 T HA 0.378 4.748 4.350 0.034 0.000 0.250 2042 T C 1.477 176.124 174.700 -0.087 0.000 1.100 2042 T CA 0.631 62.698 62.100 -0.054 0.000 1.038 2042 T CB -0.262 68.580 68.868 -0.044 0.000 0.962 2042 T HN 1.598 nan 8.240 nan 0.000 0.516 2043 G N 0.903 109.643 108.800 -0.100 0.000 2.241 2043 G HA2 -0.250 3.731 3.960 0.034 0.000 0.244 2043 G HA3 -0.250 3.731 3.960 0.034 0.000 0.244 2043 G C 0.230 175.090 174.900 -0.066 0.000 0.998 2043 G CA 0.217 45.236 45.100 -0.134 0.000 0.621 2043 G HN 1.098 nan 8.290 nan 0.000 0.519 2044 S N -0.078 115.548 115.700 -0.123 0.000 2.449 2044 S HA 0.630 5.121 4.470 0.034 0.000 0.310 2044 S C 1.172 175.749 174.600 -0.037 0.000 1.096 2044 S CA 0.084 58.160 58.200 -0.207 0.000 1.095 2044 S CB 1.539 64.347 63.200 -0.653 0.000 1.007 2044 S HN 1.037 nan 8.310 nan 0.000 0.474 2045 L N 5.796 126.968 121.223 -0.086 0.000 2.056 2045 L HA 0.046 4.407 4.340 0.034 0.000 0.207 2045 L C 2.521 179.347 176.870 -0.074 0.000 1.078 2045 L CA 2.668 57.442 54.840 -0.110 0.000 0.749 2045 L CB -0.998 40.770 42.059 -0.486 0.000 0.901 2045 L HN 0.897 nan 8.230 nan 0.000 0.433 2046 S N -1.149 114.510 115.700 -0.069 0.000 2.402 2046 S HA -0.172 4.318 4.470 0.034 0.000 0.229 2046 S C 2.105 176.735 174.600 0.049 0.000 1.021 2046 S CA 1.209 59.416 58.200 0.011 0.000 0.974 2046 S CB -0.952 62.286 63.200 0.064 0.000 0.800 2046 S HN 0.496 nan 8.310 nan 0.000 0.484 2047 L N 1.470 122.727 121.223 0.056 0.000 2.027 2047 L HA -0.127 4.234 4.340 0.034 0.000 0.206 2047 L C 2.045 178.929 176.870 0.023 0.000 1.074 2047 L CA 2.063 56.941 54.840 0.062 0.000 0.745 2047 L CB -0.687 41.405 42.059 0.054 0.000 0.898 2047 L HN 0.249 nan 8.230 nan 0.000 0.433 2048 D N 0.083 120.488 120.400 0.008 0.000 2.158 2048 D HA -0.214 4.447 4.640 0.034 0.000 0.197 2048 D C 2.121 178.426 176.300 0.009 0.000 0.995 2048 D CA 1.377 55.382 54.000 0.008 0.000 0.846 2048 D CB -0.102 40.711 40.800 0.021 0.000 0.941 2048 D HN 0.379 nan 8.370 nan 0.000 0.456 2049 I N 0.729 121.306 120.570 0.011 0.000 2.286 2049 I HA -0.192 3.999 4.170 0.034 0.000 0.245 2049 I C 2.424 178.550 176.117 0.014 0.000 1.104 2049 I CA 0.871 62.179 61.300 0.012 0.000 1.397 2049 I CB -0.151 37.856 38.000 0.011 0.000 1.072 2049 I HN -0.081 nan 8.210 nan 0.000 0.417 2050 A N 0.722 123.554 122.820 0.020 0.000 1.940 2050 A HA -0.159 4.182 4.320 0.034 0.000 0.219 2050 A C 2.215 179.796 177.584 -0.005 0.000 1.176 2050 A CA 1.413 53.460 52.037 0.018 0.000 0.631 2050 A CB -0.889 18.130 19.000 0.032 0.000 0.814 2050 A HN 0.414 nan 8.150 nan 0.000 0.446 2051 L N -1.389 119.827 121.223 -0.011 0.000 2.551 2051 L HA 0.049 4.410 4.340 0.034 0.000 0.228 2051 L C 2.138 178.985 176.870 -0.038 0.000 1.153 2051 L CA 0.637 55.457 54.840 -0.033 0.000 0.851 2051 L CB -0.365 41.678 42.059 -0.026 0.000 0.959 2051 L HN 0.637 nan 8.230 nan 0.000 0.451 2052 G N -0.190 108.598 108.800 -0.019 0.000 2.708 2052 G HA2 -0.439 3.541 3.960 0.034 0.000 0.229 2052 G HA3 -0.439 3.541 3.960 0.034 0.000 0.229 2052 G C 1.082 175.976 174.900 -0.009 0.000 1.236 2052 G CA 0.513 45.605 45.100 -0.014 0.000 0.749 2052 G HN 0.462 nan 8.290 nan 0.000 0.515 2053 A N 0.344 123.153 122.820 -0.018 0.000 2.275 2053 A HA 0.570 4.911 4.320 0.034 0.000 0.212 2053 A C 2.536 180.117 177.584 -0.006 0.000 1.201 2053 A CA 1.898 53.928 52.037 -0.012 0.000 0.843 2053 A CB -0.437 18.550 19.000 -0.021 0.000 0.873 2053 A HN 2.613 nan 8.150 nan 0.000 0.492 2054 G N -2.937 105.861 108.800 -0.004 0.000 2.176 2054 G HA2 0.292 4.273 3.960 0.034 0.000 0.232 2054 G HA3 0.292 4.273 3.960 0.034 0.000 0.232 2054 G C 0.879 175.777 174.900 -0.003 0.000 0.986 2054 G CA 0.324 45.425 45.100 0.002 0.000 0.643 2054 G HN 2.126 nan 8.290 nan 0.000 0.522 2055 G N -1.415 107.379 108.800 -0.010 0.000 2.333 2055 G HA2 0.513 4.493 3.960 0.034 0.000 0.288 2055 G HA3 0.513 4.493 3.960 0.034 0.000 0.288 2055 G C -0.875 174.014 174.900 -0.018 0.000 1.286 2055 G CA -0.468 44.623 45.100 -0.014 0.000 0.865 2055 G HN 0.862 nan 8.290 nan 0.000 0.506 2056 L N 2.019 123.231 121.223 -0.019 0.000 2.371 2056 L HA 0.432 4.793 4.340 0.034 0.000 0.272 2056 L C -1.822 175.038 176.870 -0.016 0.000 1.124 2056 L CA -1.664 53.166 54.840 -0.018 0.000 0.816 2056 L CB 1.510 43.559 42.059 -0.016 0.000 1.129 2056 L HN 0.304 nan 8.230 nan 0.000 0.448 2057 P HA 0.163 nan 4.420 nan 0.000 0.286 2057 P C -0.713 176.585 177.300 -0.004 0.000 1.269 2057 P CA -0.557 62.538 63.100 -0.009 0.000 0.787 2057 P CB 0.956 32.651 31.700 -0.008 0.000 0.920 2058 M N 1.996 121.594 119.600 -0.004 0.000 2.248 2058 M HA 0.197 4.698 4.480 0.034 0.000 0.337 2058 M C 1.598 177.903 176.300 0.007 0.000 1.121 2058 M CA 0.889 56.187 55.300 -0.003 0.000 1.155 2058 M CB -0.862 31.735 32.600 -0.004 0.000 1.514 2058 M HN 0.833 nan 8.290 nan 0.000 0.452 2059 G N 2.371 111.174 108.800 0.005 0.000 2.143 2059 G HA2 -0.208 3.773 3.960 0.034 0.000 0.248 2059 G HA3 -0.208 3.773 3.960 0.034 0.000 0.248 2059 G C 0.156 175.074 174.900 0.030 0.000 0.991 2059 G CA -0.008 45.101 45.100 0.015 0.000 0.689 2059 G HN 0.553 nan 8.290 nan 0.000 0.522 2060 R N -1.009 119.507 120.500 0.027 0.000 2.930 2060 R HA 0.758 5.119 4.340 0.034 0.000 0.257 2060 R C 0.074 176.404 176.300 0.050 0.000 1.107 2060 R CA -1.123 55.007 56.100 0.050 0.000 0.999 2060 R CB 0.831 31.157 30.300 0.043 0.000 1.209 2060 R HN 0.199 nan 8.270 nan 0.000 0.486 2061 I N 0.745 121.371 120.570 0.093 0.000 2.392 2061 I HA 0.397 4.588 4.170 0.034 0.000 0.295 2061 I C -0.269 175.918 176.117 0.117 0.000 0.985 2061 I CA -0.895 60.481 61.300 0.127 0.000 1.221 2061 I CB 1.833 39.969 38.000 0.226 0.000 1.366 2061 I HN -0.041 nan 8.210 nan 0.000 0.467 2062 V N 5.321 125.301 119.914 0.109 0.000 2.735 2062 V HA 0.382 4.523 4.120 0.034 0.000 0.310 2062 V C -0.454 175.730 176.094 0.150 0.000 1.061 2062 V CA -0.642 61.714 62.300 0.092 0.000 0.913 2062 V CB 2.156 34.001 31.823 0.037 0.000 1.005 2062 V HN 0.732 nan 8.190 nan 0.000 0.428 2063 E N 3.669 123.956 120.200 0.146 0.000 2.199 2063 E HA 0.673 5.044 4.350 0.034 0.000 0.269 2063 E C -1.618 175.070 176.600 0.146 0.000 0.899 2063 E CA -0.629 55.881 56.400 0.183 0.000 0.772 2063 E CB 1.823 31.636 29.700 0.189 0.000 1.155 2063 E HN 0.621 nan 8.360 nan 0.000 0.408 2064 I N 5.116 125.772 120.570 0.145 0.000 2.436 2064 I HA 0.353 4.543 4.170 0.034 0.000 0.289 2064 I C -1.024 175.186 176.117 0.154 0.000 1.010 2064 I CA -0.965 60.384 61.300 0.082 0.000 1.098 2064 I CB 0.998 39.033 38.000 0.059 0.000 1.266 2064 I HN 0.492 nan 8.210 nan 0.000 0.434 2065 Y N 3.971 124.301 120.300 0.051 0.000 2.581 2065 Y HA 0.998 5.568 4.550 0.034 0.000 0.345 2065 Y C -0.256 175.690 175.900 0.076 0.000 1.036 2065 Y CA -1.103 57.025 58.100 0.047 0.000 1.042 2065 Y CB 1.995 40.467 38.460 0.019 0.000 1.289 2065 Y HN 0.699 nan 8.280 nan 0.000 0.471 2066 G N 0.771 109.753 108.800 0.303 0.000 2.316 2066 G HA2 0.443 4.423 3.960 0.034 0.000 0.296 2066 G HA3 0.443 4.423 3.960 0.034 0.000 0.296 2066 G C -3.544 171.565 174.900 0.348 0.000 1.399 2066 G CA -1.302 43.941 45.100 0.239 0.000 0.833 2066 G HN 0.506 nan 8.290 nan 0.000 0.565 2067 P HA 0.290 nan 4.420 nan 0.000 0.272 2067 P C -0.276 177.070 177.300 0.076 0.000 1.254 2067 P CA -0.258 62.961 63.100 0.199 0.000 0.795 2067 P CB 0.237 31.976 31.700 0.064 0.000 1.022 2068 E N -0.596 119.336 120.200 -0.447 0.000 2.413 2068 E HA 0.191 4.562 4.350 0.034 0.000 0.263 2068 E C 0.107 176.639 176.600 -0.114 0.000 1.015 2068 E CA -0.088 56.052 56.400 -0.433 0.000 0.916 2068 E CB -0.614 28.661 29.700 -0.707 0.000 0.947 2068 E HN 0.271 nan 8.360 nan 0.000 0.440 2069 S N 0.661 116.347 115.700 -0.022 0.000 3.587 2069 S HA -0.222 4.268 4.470 0.034 0.000 0.337 2069 S C 0.953 175.595 174.600 0.070 0.000 1.119 2069 S CA 0.981 59.188 58.200 0.012 0.000 0.976 2069 S CB -1.794 61.385 63.200 -0.036 0.000 0.922 2069 S HN 0.732 nan 8.310 nan 0.000 0.503 2070 S N -0.224 115.529 115.700 0.089 0.000 2.528 2070 S HA 0.436 4.926 4.470 0.034 0.000 0.219 2070 S C 1.518 176.189 174.600 0.119 0.000 0.985 2070 S CA 0.771 59.029 58.200 0.097 0.000 0.914 2070 S CB 0.506 63.759 63.200 0.089 0.000 0.776 2070 S HN 1.983 nan 8.310 nan 0.000 0.526 2071 G N 1.299 110.184 108.800 0.140 0.000 2.145 2071 G HA2 -0.183 3.798 3.960 0.034 0.000 0.145 2071 G HA3 -0.183 3.798 3.960 0.034 0.000 0.145 2071 G C 0.594 175.595 174.900 0.169 0.000 1.017 2071 G CA 0.104 45.309 45.100 0.174 0.000 0.682 2071 G HN 0.442 nan 8.290 nan 0.000 0.504 2072 K N -0.196 120.294 120.400 0.150 0.000 2.002 2072 K HA -0.052 4.289 4.320 0.034 0.000 0.209 2072 K C 2.554 179.246 176.600 0.153 0.000 1.048 2072 K CA 1.898 58.269 56.287 0.140 0.000 0.930 2072 K CB -0.363 32.217 32.500 0.134 0.000 0.714 2072 K HN 0.275 nan 8.250 nan 0.000 0.438 2073 T N 0.952 115.609 114.554 0.171 0.000 2.708 2073 T HA -0.142 4.228 4.350 0.034 0.000 0.266 2073 T C 2.002 176.821 174.700 0.198 0.000 1.037 2073 T CA 1.873 64.102 62.100 0.214 0.000 1.146 2073 T CB -0.475 68.519 68.868 0.211 0.000 0.865 2073 T HN 0.278 nan 8.240 nan 0.000 0.435 2074 T N 2.674 117.345 114.554 0.196 0.000 2.597 2074 T HA -0.114 4.257 4.350 0.034 0.000 0.267 2074 T C 1.871 176.652 174.700 0.136 0.000 1.053 2074 T CA 1.142 63.359 62.100 0.194 0.000 1.165 2074 T CB -0.641 68.375 68.868 0.247 0.000 0.863 2074 T HN 0.195 nan 8.240 nan 0.000 0.427 2075 L N 0.372 121.680 121.223 0.142 0.000 1.990 2075 L HA -0.211 4.150 4.340 0.034 0.000 0.213 2075 L C 2.709 179.621 176.870 0.070 0.000 1.072 2075 L CA 1.857 56.755 54.840 0.098 0.000 0.755 2075 L CB -0.921 41.213 42.059 0.124 0.000 0.889 2075 L HN 0.335 nan 8.230 nan 0.000 0.432 2076 T N 0.443 115.059 114.554 0.103 0.000 2.665 2076 T HA -0.248 4.122 4.350 0.034 0.000 0.268 2076 T C 1.885 176.655 174.700 0.116 0.000 1.035 2076 T CA 1.773 63.940 62.100 0.113 0.000 1.151 2076 T CB -0.260 68.708 68.868 0.167 0.000 0.862 2076 T HN 0.282 nan 8.240 nan 0.000 0.438 2077 L N 0.670 121.962 121.223 0.115 0.000 2.141 2077 L HA -0.079 4.281 4.340 0.034 0.000 0.209 2077 L C 2.961 179.829 176.870 -0.004 0.000 1.094 2077 L CA 0.931 55.800 54.840 0.049 0.000 0.763 2077 L CB -0.481 41.577 42.059 -0.003 0.000 0.908 2077 L HN 0.231 nan 8.230 nan 0.000 0.437 2078 Q N -0.404 119.390 119.800 -0.009 0.000 2.119 2078 Q HA -0.169 4.191 4.340 0.034 0.000 0.201 2078 Q C 2.441 178.406 176.000 -0.057 0.000 0.972 2078 Q CA 1.799 57.571 55.803 -0.051 0.000 0.847 2078 Q CB -0.526 28.174 28.738 -0.062 0.000 0.903 2078 Q HN 0.545 nan 8.270 nan 0.000 0.433 2079 V N -0.212 119.684 119.914 -0.030 0.000 2.358 2079 V HA -0.199 3.941 4.120 0.034 0.000 0.246 2079 V C 2.089 178.165 176.094 -0.030 0.000 1.047 2079 V CA 1.155 63.434 62.300 -0.035 0.000 1.035 2079 V CB -0.472 31.337 31.823 -0.023 0.000 0.658 2079 V HN 0.219 nan 8.190 nan 0.000 0.452 2080 I N 1.120 121.687 120.570 -0.005 0.000 2.163 2080 I HA -0.227 3.963 4.170 0.034 0.000 0.243 2080 I C 2.956 179.054 176.117 -0.032 0.000 1.085 2080 I CA 1.935 63.233 61.300 -0.003 0.000 1.347 2080 I CB -0.792 37.230 38.000 0.036 0.000 1.044 2080 I HN 0.441 nan 8.210 nan 0.000 0.408 2081 A N 0.645 123.436 122.820 -0.049 0.000 1.883 2081 A HA -0.228 4.112 4.320 0.034 0.000 0.217 2081 A C 2.531 180.066 177.584 -0.082 0.000 1.186 2081 A CA 2.106 54.101 52.037 -0.070 0.000 0.624 2081 A CB -0.968 17.980 19.000 -0.087 0.000 0.822 2081 A HN 0.463 nan 8.150 nan 0.000 0.444 2082 A N -0.322 122.441 122.820 -0.095 0.000 1.933 2082 A HA 0.161 4.501 4.320 0.034 0.000 0.218 2082 A C 2.500 180.034 177.584 -0.084 0.000 1.175 2082 A CA 2.132 54.101 52.037 -0.112 0.000 0.628 2082 A CB -0.975 17.947 19.000 -0.130 0.000 0.814 2082 A HN 1.072 nan 8.150 nan 0.000 0.444 2083 A N -0.734 122.048 122.820 -0.063 0.000 1.898 2083 A HA -0.198 4.143 4.320 0.034 0.000 0.216 2083 A C 2.126 179.683 177.584 -0.044 0.000 1.181 2083 A CA 1.602 53.610 52.037 -0.048 0.000 0.620 2083 A CB -0.571 18.407 19.000 -0.036 0.000 0.819 2083 A HN 0.640 nan 8.150 nan 0.000 0.442 2084 Q N -1.203 118.570 119.800 -0.044 0.000 2.124 2084 Q HA -0.166 4.195 4.340 0.034 0.000 0.202 2084 Q C 2.276 178.249 176.000 -0.045 0.000 0.977 2084 Q CA 1.465 57.244 55.803 -0.040 0.000 0.850 2084 Q CB -0.146 28.569 28.738 -0.039 0.000 0.901 2084 Q HN 0.564 nan 8.270 nan 0.000 0.429 2085 R N 1.097 121.562 120.500 -0.057 0.000 2.200 2085 R HA -0.124 4.237 4.340 0.034 0.000 0.234 2085 R C 0.818 177.085 176.300 -0.054 0.000 1.127 2085 R CA 1.110 57.173 56.100 -0.062 0.000 0.989 2085 R CB 0.204 30.454 30.300 -0.084 0.000 0.869 2085 R HN 0.262 nan 8.270 nan 0.000 0.459 2086 E N -1.619 118.550 120.200 -0.051 0.000 2.465 2086 E HA 0.170 4.541 4.350 0.034 0.000 0.195 2086 E C 0.411 176.992 176.600 -0.033 0.000 1.028 2086 E CA 0.342 56.717 56.400 -0.042 0.000 0.899 2086 E CB 0.947 30.621 29.700 -0.043 0.000 1.032 2086 E HN 0.479 nan 8.360 nan 0.000 0.468 2087 G N 2.188 110.970 108.800 -0.031 0.000 2.143 2087 G HA2 -0.305 3.676 3.960 0.034 0.000 0.249 2087 G HA3 -0.305 3.676 3.960 0.034 0.000 0.249 2087 G C 0.188 175.075 174.900 -0.022 0.000 0.981 2087 G CA 0.100 45.186 45.100 -0.025 0.000 0.665 2087 G HN 0.157 nan 8.290 nan 0.000 0.528 2088 K N 0.376 120.761 120.400 -0.024 0.000 2.126 2088 K HA 0.516 4.856 4.320 0.034 0.000 0.257 2088 K C 0.059 176.647 176.600 -0.019 0.000 1.007 2088 K CA 0.026 56.300 56.287 -0.021 0.000 0.928 2088 K CB 0.707 33.193 32.500 -0.024 0.000 1.013 2088 K HN 0.098 nan 8.250 nan 0.000 0.473 2089 T N 1.352 115.896 114.554 -0.016 0.000 2.794 2089 T HA 0.330 4.701 4.350 0.034 0.000 0.280 2089 T C -0.491 174.202 174.700 -0.011 0.000 0.987 2089 T CA -0.538 61.554 62.100 -0.012 0.000 0.993 2089 T CB 0.443 69.305 68.868 -0.010 0.000 0.939 2089 T HN 0.535 nan 8.240 nan 0.000 0.449 2090 C N 2.358 121.655 119.300 -0.004 0.000 2.707 2090 C HA 0.976 5.456 4.460 0.034 0.000 0.313 2090 C C 0.254 175.255 174.990 0.018 0.000 1.209 2090 C CA -0.897 58.124 59.018 0.004 0.000 1.635 2090 C CB 1.002 28.751 27.740 0.015 0.000 2.206 2090 C HN 1.039 nan 8.230 nan 0.000 0.485 2091 A N 1.214 124.045 122.820 0.018 0.000 2.435 2091 A HA 0.876 5.216 4.320 0.034 0.000 0.304 2091 A C -1.491 176.133 177.584 0.067 0.000 1.064 2091 A CA -0.267 51.790 52.037 0.033 0.000 0.727 2091 A CB 1.067 20.061 19.000 -0.010 0.000 1.284 2091 A HN 0.830 nan 8.150 nan 0.000 0.415 2092 F N 3.156 123.070 119.950 -0.061 0.000 2.499 2092 F HA 0.558 5.106 4.527 0.034 0.000 0.333 2092 F C -0.806 174.949 175.800 -0.074 0.000 1.138 2092 F CA -0.826 57.134 58.000 -0.065 0.000 0.945 2092 F CB 1.338 40.309 39.000 -0.050 0.000 1.181 2092 F HN 0.372 nan 8.300 nan 0.000 0.435 2093 I N 4.867 125.239 120.570 -0.330 0.000 2.282 2093 I HA 0.118 4.309 4.170 0.034 0.000 0.290 2093 I C -0.091 175.902 176.117 -0.206 0.000 1.090 2093 I CA -0.344 60.836 61.300 -0.199 0.000 1.231 2093 I CB 0.450 38.323 38.000 -0.212 0.000 1.434 2093 I HN 0.510 nan 8.210 nan 0.000 0.487 2094 D N 5.364 125.783 120.400 0.031 0.000 2.619 2094 D HA 0.322 4.983 4.640 0.034 0.000 0.224 2094 D C 1.265 177.497 176.300 -0.114 0.000 1.133 2094 D CA -0.036 54.022 54.000 0.097 0.000 1.017 2094 D CB 0.772 41.683 40.800 0.185 0.000 1.077 2094 D HN 0.591 nan 8.370 nan 0.000 0.503 2095 A N 2.377 125.160 122.820 -0.062 0.000 2.015 2095 A HA -0.110 4.230 4.320 0.034 0.000 0.219 2095 A C 1.921 179.625 177.584 0.199 0.000 1.163 2095 A CA 0.777 52.825 52.037 0.017 0.000 0.646 2095 A CB -0.213 18.810 19.000 0.038 0.000 0.806 2095 A HN 0.515 nan 8.150 nan 0.000 0.448 2096 E N -1.050 119.232 120.200 0.136 0.000 2.427 2096 E HA -0.077 4.294 4.350 0.034 0.000 0.196 2096 E C -0.539 176.240 176.600 0.298 0.000 1.028 2096 E CA 0.024 56.531 56.400 0.178 0.000 0.864 2096 E CB -0.159 29.564 29.700 0.039 0.000 0.813 2096 E HN 0.692 nan 8.360 nan 0.000 0.514 2097 H N -1.952 117.184 119.070 0.110 0.000 2.692 2097 H HA -0.207 4.370 4.556 0.034 0.000 0.316 2097 H C -0.092 175.289 175.328 0.088 0.000 1.176 2097 H CA 0.541 56.649 56.048 0.099 0.000 1.142 2097 H CB -1.312 28.507 29.762 0.096 0.000 1.475 2097 H HN 0.237 nan 8.280 nan 0.000 0.423 2098 A N 0.617 123.523 122.820 0.143 0.000 2.569 2098 A HA 0.253 4.593 4.320 0.034 0.000 0.284 2098 A C 0.216 177.831 177.584 0.052 0.000 0.948 2098 A CA -0.456 51.640 52.037 0.098 0.000 1.007 2098 A CB 0.670 19.725 19.000 0.092 0.000 1.232 2098 A HN 0.143 nan 8.150 nan 0.000 0.530 2099 L N 1.229 122.471 121.223 0.032 0.000 2.360 2099 L HA 0.465 4.826 4.340 0.034 0.000 0.276 2099 L C -0.535 176.309 176.870 -0.044 0.000 1.121 2099 L CA 0.091 54.900 54.840 -0.051 0.000 0.845 2099 L CB 0.710 42.663 42.059 -0.175 0.000 1.143 2099 L HN 0.225 nan 8.230 nan 0.000 0.452 2100 D N 7.345 127.729 120.400 -0.027 0.000 2.428 2100 D HA 0.298 4.959 4.640 0.034 0.000 0.221 2100 D C -1.782 174.523 176.300 0.009 0.000 1.123 2100 D CA -2.229 51.775 54.000 0.006 0.000 0.869 2100 D CB 1.466 42.282 40.800 0.027 0.000 1.032 2100 D HN 0.352 nan 8.370 nan 0.000 0.506 2101 P HA -0.161 nan 4.420 nan 0.000 0.215 2101 P C 1.685 178.975 177.300 -0.016 0.000 1.153 2101 P CA 0.612 63.687 63.100 -0.042 0.000 0.853 2101 P CB 0.544 32.222 31.700 -0.037 0.000 0.788 2102 I N -1.567 119.013 120.570 0.016 0.000 2.208 2102 I HA -0.249 3.942 4.170 0.034 0.000 0.245 2102 I C 2.680 178.830 176.117 0.055 0.000 1.097 2102 I CA 1.451 62.768 61.300 0.028 0.000 1.363 2102 I CB -1.167 36.856 38.000 0.038 0.000 1.051 2102 I HN -0.144 nan 8.210 nan 0.000 0.413 2103 Y N 1.101 121.376 120.300 -0.041 0.000 2.200 2103 Y HA -0.232 4.338 4.550 0.034 0.000 0.290 2103 Y C 2.470 178.344 175.900 -0.044 0.000 1.137 2103 Y CA 1.307 59.387 58.100 -0.033 0.000 1.163 2103 Y CB -0.618 37.822 38.460 -0.033 0.000 0.988 2103 Y HN 0.144 nan 8.280 nan 0.000 0.518 2104 A N 0.524 123.307 122.820 -0.062 0.000 1.917 2104 A HA -0.245 4.096 4.320 0.034 0.000 0.219 2104 A C 2.431 179.913 177.584 -0.170 0.000 1.182 2104 A CA 1.890 53.835 52.037 -0.153 0.000 0.633 2104 A CB -0.776 18.134 19.000 -0.150 0.000 0.819 2104 A HN 0.480 nan 8.150 nan 0.000 0.448 2105 R N -0.169 120.258 120.500 -0.122 0.000 2.081 2105 R HA -0.125 4.235 4.340 0.034 0.000 0.235 2105 R C 2.072 178.294 176.300 -0.130 0.000 1.131 2105 R CA 1.785 57.823 56.100 -0.103 0.000 0.960 2105 R CB -0.271 29.991 30.300 -0.063 0.000 0.856 2105 R HN 0.559 nan 8.270 nan 0.000 0.436 2106 K N 0.303 120.601 120.400 -0.170 0.000 2.152 2106 K HA -0.096 4.245 4.320 0.034 0.000 0.206 2106 K C 1.806 178.267 176.600 -0.231 0.000 1.048 2106 K CA 1.022 57.198 56.287 -0.186 0.000 0.933 2106 K CB -0.074 32.306 32.500 -0.200 0.000 0.721 2106 K HN 0.239 nan 8.250 nan 0.000 0.447 2107 L N -0.006 121.023 121.223 -0.324 0.000 2.650 2107 L HA 0.066 4.427 4.340 0.034 0.000 0.235 2107 L C 1.007 177.785 176.870 -0.154 0.000 1.149 2107 L CA 0.368 55.058 54.840 -0.250 0.000 0.887 2107 L CB -0.323 41.564 42.059 -0.287 0.000 1.021 2107 L HN 0.426 nan 8.230 nan 0.000 0.441 2108 G N -0.082 108.639 108.800 -0.132 0.000 2.141 2108 G HA2 -0.240 3.741 3.960 0.034 0.000 0.242 2108 G HA3 -0.240 3.741 3.960 0.034 0.000 0.242 2108 G C 0.197 175.043 174.900 -0.091 0.000 0.982 2108 G CA -0.049 44.992 45.100 -0.099 0.000 0.662 2108 G HN 0.115 nan 8.290 nan 0.000 0.527 2109 V N 1.096 120.950 119.914 -0.099 0.000 2.614 2109 V HA 0.332 4.473 4.120 0.034 0.000 0.291 2109 V C 0.768 176.820 176.094 -0.070 0.000 1.049 2109 V CA 0.039 62.289 62.300 -0.083 0.000 1.038 2109 V CB 1.648 33.414 31.823 -0.096 0.000 0.980 2109 V HN 0.353 nan 8.190 nan 0.000 0.481 2110 D N 4.502 124.868 120.400 -0.056 0.000 2.455 2110 D HA 0.080 4.740 4.640 0.034 0.000 0.234 2110 D C 1.105 177.378 176.300 -0.044 0.000 1.224 2110 D CA -0.256 53.716 54.000 -0.046 0.000 0.999 2110 D CB 0.322 41.100 40.800 -0.038 0.000 1.072 2110 D HN 0.290 nan 8.370 nan 0.000 0.514 2111 I N 2.420 122.960 120.570 -0.049 0.000 2.194 2111 I HA -0.257 3.934 4.170 0.034 0.000 0.246 2111 I C 1.556 177.652 176.117 -0.034 0.000 1.093 2111 I CA 1.164 62.435 61.300 -0.048 0.000 1.355 2111 I CB -0.567 37.404 38.000 -0.048 0.000 1.046 2111 I HN 0.388 nan 8.210 nan 0.000 0.413 2112 D N 0.338 120.722 120.400 -0.028 0.000 2.310 2112 D HA -0.104 4.556 4.640 0.034 0.000 0.212 2112 D C 1.418 177.709 176.300 -0.016 0.000 0.965 2112 D CA 0.755 54.743 54.000 -0.020 0.000 0.879 2112 D CB -0.122 40.667 40.800 -0.018 0.000 0.921 2112 D HN 0.406 nan 8.370 nan 0.000 0.510 2113 N N -0.046 118.643 118.700 -0.018 0.000 2.171 2113 N HA 0.045 4.806 4.740 0.034 0.000 0.212 2113 N C 0.111 175.615 175.510 -0.009 0.000 1.184 2113 N CA -0.177 52.865 53.050 -0.013 0.000 0.888 2113 N CB 1.478 39.956 38.487 -0.015 0.000 1.038 2113 N HN 0.170 nan 8.380 nan 0.000 0.517 2114 L N 2.623 123.839 121.223 -0.012 0.000 2.325 2114 L HA 0.301 4.662 4.340 0.034 0.000 0.284 2114 L C -0.264 176.613 176.870 0.011 0.000 1.089 2114 L CA -0.165 54.674 54.840 -0.001 0.000 0.836 2114 L CB 0.314 42.363 42.059 -0.018 0.000 1.184 2114 L HN -0.063 nan 8.230 nan 0.000 0.444 2115 L N 5.273 126.509 121.223 0.022 0.000 2.455 2115 L HA 0.122 4.483 4.340 0.034 0.000 0.272 2115 L C 0.042 176.944 176.870 0.053 0.000 1.174 2115 L CA 0.138 54.994 54.840 0.027 0.000 0.869 2115 L CB 0.959 43.030 42.059 0.020 0.000 1.130 2115 L HN 0.663 nan 8.230 nan 0.000 0.474 2116 C N 2.930 122.257 119.300 0.045 0.000 2.609 2116 C HA 0.697 5.177 4.460 0.034 0.000 0.313 2116 C C -0.265 174.748 174.990 0.039 0.000 1.175 2116 C CA -0.350 58.709 59.018 0.068 0.000 1.434 2116 C CB 1.744 29.509 27.740 0.041 0.000 2.005 2116 C HN 0.825 nan 8.230 nan 0.000 0.471 2117 S N 3.576 119.297 115.700 0.036 0.000 2.575 2117 S HA 0.558 5.048 4.470 0.034 0.000 0.278 2117 S C -1.367 173.200 174.600 -0.054 0.000 1.139 2117 S CA -0.301 57.892 58.200 -0.013 0.000 0.954 2117 S CB 1.413 64.592 63.200 -0.035 0.000 1.054 2117 S HN 0.840 nan 8.310 nan 0.000 0.483 2118 Q N 4.434 124.180 119.800 -0.090 0.000 2.571 2118 Q HA 0.343 4.704 4.340 0.034 0.000 0.243 2118 Q C -2.375 173.567 176.000 -0.097 0.000 1.055 2118 Q CA -1.900 53.766 55.803 -0.228 0.000 0.815 2118 Q CB 1.419 29.967 28.738 -0.317 0.000 1.151 2118 Q HN 0.510 nan 8.270 nan 0.000 0.519 2119 P HA 0.076 nan 4.420 nan 0.000 0.274 2119 P C -0.290 177.038 177.300 0.046 0.000 1.237 2119 P CA -0.198 62.865 63.100 -0.060 0.000 0.793 2119 P CB 1.384 33.002 31.700 -0.136 0.000 0.977 2120 D N -0.622 119.784 120.400 0.010 0.000 2.162 2120 D HA -0.015 4.645 4.640 0.034 0.000 0.205 2120 D C 0.987 177.303 176.300 0.026 0.000 0.964 2120 D CA 1.538 55.566 54.000 0.047 0.000 0.847 2120 D CB -0.059 40.766 40.800 0.042 0.000 0.988 2120 D HN 0.533 nan 8.370 nan 0.000 0.480 2121 T N -3.798 110.746 114.554 -0.017 0.000 2.916 2121 T HA 0.548 4.918 4.350 0.034 0.000 0.292 2121 T C 1.337 176.014 174.700 -0.038 0.000 1.064 2121 T CA -0.397 61.692 62.100 -0.019 0.000 1.011 2121 T CB 1.900 70.758 68.868 -0.016 0.000 1.152 2121 T HN -0.065 nan 8.240 nan 0.000 0.510 2122 G N 0.376 109.162 108.800 -0.023 0.000 2.418 2122 G HA2 -0.137 3.844 3.960 0.034 0.000 0.217 2122 G HA3 -0.137 3.844 3.960 0.034 0.000 0.217 2122 G C 1.070 175.948 174.900 -0.037 0.000 1.158 2122 G CA 0.848 45.934 45.100 -0.023 0.000 0.771 2122 G HN 0.818 nan 8.290 nan 0.000 0.545 2123 E N -0.086 120.094 120.200 -0.034 0.000 2.077 2123 E HA -0.118 4.253 4.350 0.034 0.000 0.193 2123 E C 2.417 178.982 176.600 -0.058 0.000 0.989 2123 E CA 1.222 57.610 56.400 -0.020 0.000 0.800 2123 E CB -0.231 29.475 29.700 0.010 0.000 0.746 2123 E HN 0.632 nan 8.360 nan 0.000 0.452 2124 Q N 0.315 120.028 119.800 -0.144 0.000 2.061 2124 Q HA -0.220 4.141 4.340 0.034 0.000 0.204 2124 Q C 2.173 177.930 176.000 -0.405 0.000 0.984 2124 Q CA 1.674 57.201 55.803 -0.461 0.000 0.846 2124 Q CB -0.227 28.171 28.738 -0.566 0.000 0.902 2124 Q HN 0.302 nan 8.270 nan 0.000 0.421 2125 A N 0.782 123.466 122.820 -0.226 0.000 1.892 2125 A HA -0.207 4.133 4.320 0.034 0.000 0.218 2125 A C 2.045 179.568 177.584 -0.103 0.000 1.188 2125 A CA 1.692 53.638 52.037 -0.152 0.000 0.631 2125 A CB -0.795 18.159 19.000 -0.076 0.000 0.822 2125 A HN 0.475 nan 8.150 nan 0.000 0.447 2126 L N -1.192 119.998 121.223 -0.055 0.000 2.179 2126 L HA -0.068 4.292 4.340 0.034 0.000 0.208 2126 L C 2.551 179.417 176.870 -0.006 0.000 1.096 2126 L CA 0.797 55.635 54.840 -0.004 0.000 0.779 2126 L CB -0.413 41.661 42.059 0.024 0.000 0.922 2126 L HN 0.272 nan 8.230 nan 0.000 0.443 2127 E N 0.504 120.698 120.200 -0.010 0.000 2.106 2127 E HA -0.154 4.216 4.350 0.034 0.000 0.192 2127 E C 2.276 178.916 176.600 0.066 0.000 0.984 2127 E CA 1.159 57.601 56.400 0.069 0.000 0.806 2127 E CB -0.040 29.789 29.700 0.215 0.000 0.750 2127 E HN 0.501 nan 8.360 nan 0.000 0.458 2128 I N 0.084 120.636 120.570 -0.031 0.000 2.252 2128 I HA -0.315 3.876 4.170 0.034 0.000 0.245 2128 I C 2.511 178.617 176.117 -0.018 0.000 1.102 2128 I CA 0.618 61.909 61.300 -0.015 0.000 1.385 2128 I CB -0.253 37.687 38.000 -0.100 0.000 1.064 2128 I HN 0.126 nan 8.210 nan 0.000 0.414 2129 C N 0.483 119.756 119.300 -0.046 0.000 2.398 2129 C HA -0.240 4.241 4.460 0.034 0.000 0.276 2129 C C 2.581 177.554 174.990 -0.028 0.000 1.222 2129 C CA 1.421 60.405 59.018 -0.057 0.000 1.746 2129 C CB -0.995 26.703 27.740 -0.070 0.000 2.039 2129 C HN 0.542 nan 8.230 nan 0.000 0.470 2130 D N 0.307 120.705 120.400 -0.003 0.000 2.097 2130 D HA -0.080 4.580 4.640 0.034 0.000 0.195 2130 D C 2.207 178.514 176.300 0.012 0.000 0.989 2130 D CA 1.672 55.675 54.000 0.005 0.000 0.827 2130 D CB -0.247 40.565 40.800 0.020 0.000 0.966 2130 D HN 0.407 nan 8.370 nan 0.000 0.456 2131 A N -0.004 122.836 122.820 0.032 0.000 1.902 2131 A HA -0.116 4.225 4.320 0.034 0.000 0.217 2131 A C 2.415 180.011 177.584 0.019 0.000 1.181 2131 A CA 1.083 53.143 52.037 0.038 0.000 0.623 2131 A CB -0.759 18.285 19.000 0.074 0.000 0.818 2131 A HN 0.343 nan 8.150 nan 0.000 0.443 2132 L N -1.025 120.202 121.223 0.007 0.000 2.072 2132 L HA -0.134 4.226 4.340 0.034 0.000 0.205 2132 L C 3.126 179.988 176.870 -0.013 0.000 1.079 2132 L CA 0.876 55.713 54.840 -0.005 0.000 0.752 2132 L CB -0.628 41.419 42.059 -0.019 0.000 0.906 2132 L HN 0.435 nan 8.230 nan 0.000 0.436 2133 A N 0.373 123.181 122.820 -0.020 0.000 1.851 2133 A HA -0.246 4.095 4.320 0.034 0.000 0.216 2133 A C 2.374 179.950 177.584 -0.013 0.000 1.195 2133 A CA 1.744 53.767 52.037 -0.023 0.000 0.622 2133 A CB -0.609 18.373 19.000 -0.030 0.000 0.831 2133 A HN 0.305 nan 8.150 nan 0.000 0.444 2134 R N 0.055 120.551 120.500 -0.006 0.000 2.159 2134 R HA -0.119 4.241 4.340 0.034 0.000 0.237 2134 R C 2.536 178.837 176.300 0.002 0.000 1.131 2134 R CA 1.481 57.580 56.100 -0.001 0.000 0.982 2134 R CB -0.368 29.934 30.300 0.004 0.000 0.868 2134 R HN 0.772 nan 8.270 nan 0.000 0.453 2135 S N -0.742 114.960 115.700 0.002 0.000 2.402 2135 S HA -0.038 4.452 4.470 0.034 0.000 0.229 2135 S C 1.638 176.238 174.600 0.001 0.000 1.021 2135 S CA 0.941 59.143 58.200 0.004 0.000 0.974 2135 S CB -0.007 63.196 63.200 0.005 0.000 0.800 2135 S HN 0.495 nan 8.310 nan 0.000 0.484 2136 G N 0.615 109.414 108.800 -0.002 0.000 2.155 2136 G HA2 -0.180 3.801 3.960 0.034 0.000 0.257 2136 G HA3 -0.180 3.801 3.960 0.034 0.000 0.257 2136 G C 0.673 175.571 174.900 -0.003 0.000 0.983 2136 G CA 0.223 45.321 45.100 -0.002 0.000 0.676 2136 G HN 1.441 nan 8.290 nan 0.000 0.528 2137 A N -1.116 121.702 122.820 -0.004 0.000 2.343 2137 A HA 0.703 5.043 4.320 0.034 0.000 0.223 2137 A C 0.799 178.379 177.584 -0.007 0.000 1.214 2137 A CA 1.056 53.090 52.037 -0.004 0.000 0.900 2137 A CB 0.724 19.723 19.000 -0.001 0.000 0.942 2137 A HN 0.973 nan 8.150 nan 0.000 0.507 2138 V N 0.641 120.549 119.914 -0.011 0.000 2.513 2138 V HA 0.263 4.403 4.120 0.034 0.000 0.299 2138 V C 0.069 176.151 176.094 -0.021 0.000 1.035 2138 V CA -0.547 61.744 62.300 -0.016 0.000 0.889 2138 V CB 1.739 33.550 31.823 -0.020 0.000 0.988 2138 V HN 0.379 nan 8.190 nan 0.000 0.440 2139 D N 1.679 122.066 120.400 -0.021 0.000 2.338 2139 D HA 0.088 4.749 4.640 0.034 0.000 0.224 2139 D C 0.330 176.611 176.300 -0.031 0.000 0.967 2139 D CA 1.216 55.202 54.000 -0.023 0.000 0.896 2139 D CB 1.559 42.347 40.800 -0.020 0.000 1.028 2139 D HN 0.402 nan 8.370 nan 0.000 0.493 2140 V N 0.780 120.673 119.914 -0.035 0.000 2.709 2140 V HA 0.514 4.654 4.120 0.034 0.000 0.308 2140 V C -1.524 174.533 176.094 -0.062 0.000 1.062 2140 V CA -0.719 61.552 62.300 -0.049 0.000 0.901 2140 V CB 2.165 33.965 31.823 -0.040 0.000 1.003 2140 V HN -0.094 nan 8.190 nan 0.000 0.425 2141 I N 6.520 127.027 120.570 -0.106 0.000 2.465 2141 I HA 0.639 4.830 4.170 0.034 0.000 0.291 2141 I C -0.553 175.423 176.117 -0.234 0.000 1.014 2141 I CA -1.044 60.165 61.300 -0.152 0.000 1.093 2141 I CB 2.029 39.924 38.000 -0.176 0.000 1.267 2141 I HN 0.638 nan 8.210 nan 0.000 0.431 2142 V N 7.106 126.848 119.914 -0.285 0.000 2.495 2142 V HA 0.572 4.713 4.120 0.034 0.000 0.298 2142 V C -0.814 174.915 176.094 -0.610 0.000 1.031 2142 V CA -0.362 61.686 62.300 -0.421 0.000 0.871 2142 V CB 1.999 33.625 31.823 -0.328 0.000 0.988 2142 V HN 0.441 nan 8.190 nan 0.000 0.432 2143 V N 5.959 125.552 119.914 -0.535 0.000 2.333 2143 V HA 0.389 4.529 4.120 0.034 0.000 0.274 2143 V C -0.005 175.905 176.094 -0.307 0.000 1.028 2143 V CA -0.338 61.714 62.300 -0.413 0.000 0.851 2143 V CB 1.186 32.831 31.823 -0.297 0.000 1.000 2143 V HN 0.958 nan 8.190 nan 0.000 0.456 2144 D N 3.706 123.881 120.400 -0.375 0.000 2.393 2144 D HA 0.291 4.952 4.640 0.034 0.000 0.232 2144 D C 0.014 176.281 176.300 -0.055 0.000 1.192 2144 D CA 0.643 54.530 54.000 -0.188 0.000 0.882 2144 D CB 0.744 41.489 40.800 -0.093 0.000 1.038 2144 D HN 0.632 nan 8.370 nan 0.000 0.499 2145 S N 1.292 116.979 115.700 -0.022 0.000 3.080 2145 S HA -0.163 4.328 4.470 0.034 0.000 0.790 2145 S C 1.077 175.686 174.600 0.015 0.000 0.736 2145 S CA 0.301 58.487 58.200 -0.024 0.000 1.493 2145 S CB -0.835 62.316 63.200 -0.082 0.000 1.047 2145 S HN 0.497 nan 8.310 nan 0.000 0.709 2146 V N 2.844 122.773 119.914 0.025 0.000 2.759 2146 V HA 0.066 4.207 4.120 0.034 0.000 0.256 2146 V C 2.212 178.292 176.094 -0.024 0.000 1.080 2146 V CA 2.364 64.662 62.300 -0.002 0.000 1.101 2146 V CB -0.860 30.902 31.823 -0.101 0.000 0.698 2146 V HN 1.434 nan 8.190 nan 0.000 0.477 2147 A N 0.477 123.270 122.820 -0.045 0.000 2.019 2147 A HA 0.170 4.511 4.320 0.034 0.000 0.219 2147 A C 2.321 179.957 177.584 0.086 0.000 1.164 2147 A CA 1.905 53.928 52.037 -0.022 0.000 0.644 2147 A CB -0.776 18.162 19.000 -0.104 0.000 0.805 2147 A HN 1.144 nan 8.150 nan 0.000 0.449 2148 A N -1.403 121.472 122.820 0.092 0.000 2.275 2148 A HA 0.446 4.787 4.320 0.034 0.000 0.212 2148 A C 0.401 178.054 177.584 0.114 0.000 1.201 2148 A CA -0.116 52.030 52.037 0.182 0.000 0.843 2148 A CB -0.116 18.997 19.000 0.188 0.000 0.873 2148 A HN 0.264 nan 8.150 nan 0.000 0.492 2149 L N 2.466 123.725 121.223 0.060 0.000 2.448 2149 L HA 0.189 4.550 4.340 0.034 0.000 0.278 2149 L C -0.049 176.830 176.870 0.015 0.000 1.201 2149 L CA 0.709 55.568 54.840 0.032 0.000 1.036 2149 L CB -0.655 41.412 42.059 0.014 0.000 1.325 2149 L HN 0.093 nan 8.230 nan 0.000 0.441 2150 T N 4.688 119.253 114.554 0.018 0.000 2.743 2150 T HA 0.341 4.711 4.350 0.034 0.000 0.293 2150 T C -2.274 172.406 174.700 -0.033 0.000 0.945 2150 T CA -1.399 60.697 62.100 -0.007 0.000 1.030 2150 T CB 0.927 69.793 68.868 -0.003 0.000 0.912 2150 T HN 0.200 nan 8.240 nan 0.000 0.483 2151 P HA 0.048 nan 4.420 nan 0.000 0.267 2151 P C 1.051 178.292 177.300 -0.098 0.000 1.200 2151 P CA -0.334 62.720 63.100 -0.077 0.000 0.772 2151 P CB 0.717 32.356 31.700 -0.102 0.000 0.855 2152 K N 2.954 123.312 120.400 -0.071 0.000 2.074 2152 K HA -0.236 4.104 4.320 0.034 0.000 0.209 2152 K C 1.721 178.265 176.600 -0.094 0.000 1.048 2152 K CA 2.024 58.277 56.287 -0.056 0.000 0.926 2152 K CB -0.606 31.880 32.500 -0.023 0.000 0.713 2152 K HN 0.482 nan 8.250 nan 0.000 0.444 2153 A N 1.095 123.831 122.820 -0.139 0.000 1.933 2153 A HA -0.214 4.127 4.320 0.034 0.000 0.218 2153 A C 1.974 179.332 177.584 -0.377 0.000 1.175 2153 A CA 1.869 53.792 52.037 -0.189 0.000 0.628 2153 A CB -0.463 18.438 19.000 -0.166 0.000 0.814 2153 A HN 0.597 nan 8.150 nan 0.000 0.444 2154 E N -0.346 119.532 120.200 -0.536 0.000 2.047 2154 E HA -0.123 4.247 4.350 0.034 0.000 0.191 2154 E C 1.811 178.321 176.600 -0.150 0.000 0.987 2154 E CA 1.044 57.116 56.400 -0.546 0.000 0.799 2154 E CB -0.216 29.269 29.700 -0.357 0.000 0.752 2154 E HN 0.615 nan 8.360 nan 0.000 0.449 2155 I N 1.033 121.540 120.570 -0.105 0.000 2.226 2155 I HA -0.264 3.926 4.170 0.034 0.000 0.245 2155 I C 2.082 178.188 176.117 -0.017 0.000 1.100 2155 I CA 1.458 62.734 61.300 -0.041 0.000 1.374 2155 I CB -0.062 37.919 38.000 -0.030 0.000 1.057 2155 I HN 0.183 nan 8.210 nan 0.000 0.413 2156 E N 0.194 120.379 120.200 -0.024 0.000 2.230 2156 E HA 0.022 4.393 4.350 0.034 0.000 0.192 2156 E C 1.329 177.945 176.600 0.026 0.000 0.987 2156 E CA 0.355 56.756 56.400 0.001 0.000 0.841 2156 E CB -0.107 29.592 29.700 -0.002 0.000 0.783 2156 E HN 0.497 nan 8.360 nan 0.000 0.481 2157 G N 1.014 109.840 108.800 0.044 0.000 2.651 2157 G HA2 0.035 4.016 3.960 0.034 0.000 0.260 2157 G HA3 0.035 4.016 3.960 0.034 0.000 0.260 2157 G C -0.173 174.793 174.900 0.110 0.000 1.216 2157 G CA -0.497 44.675 45.100 0.121 0.000 0.913 2157 G HN 0.001 nan 8.290 nan 0.000 0.535 2158 E N -1.245 119.020 120.200 0.110 0.000 2.312 2158 E HA 0.228 4.599 4.350 0.034 0.000 0.259 2158 E C 0.010 176.665 176.600 0.092 0.000 1.122 2158 E CA -0.419 56.036 56.400 0.091 0.000 0.922 2158 E CB 1.543 31.292 29.700 0.082 0.000 1.109 2158 E HN 0.235 nan 8.360 nan 0.000 0.442 2159 I N 1.269 121.884 120.570 0.075 0.000 2.517 2159 I HA 0.064 4.255 4.170 0.034 0.000 0.285 2159 I C 1.176 177.314 176.117 0.035 0.000 1.106 2159 I CA 0.911 62.242 61.300 0.051 0.000 1.402 2159 I CB 0.341 38.362 38.000 0.035 0.000 1.399 2159 I HN 0.890 nan 8.210 nan 0.000 0.535 2160 G N 4.102 112.910 108.800 0.014 0.000 2.195 2160 G HA2 -0.199 3.781 3.960 0.034 0.000 0.224 2160 G HA3 -0.199 3.781 3.960 0.034 0.000 0.224 2160 G C -0.053 174.820 174.900 -0.045 0.000 0.990 2160 G CA -0.605 44.487 45.100 -0.012 0.000 0.639 2160 G HN 0.556 nan 8.290 nan 0.000 0.514 2161 D N 1.695 122.060 120.400 -0.059 0.000 2.389 2161 D HA 0.475 5.136 4.640 0.034 0.000 0.247 2161 D C 0.858 176.935 176.300 -0.371 0.000 1.128 2161 D CA 0.845 54.733 54.000 -0.185 0.000 0.884 2161 D CB 1.324 42.034 40.800 -0.150 0.000 1.194 2161 D HN 0.483 nan 8.370 nan 0.000 0.441 2162 S N 2.215 117.687 115.700 -0.379 0.000 2.475 2162 S HA 0.288 4.779 4.470 0.034 0.000 0.281 2162 S C -0.072 174.238 174.600 -0.483 0.000 1.198 2162 S CA -0.777 57.231 58.200 -0.319 0.000 1.063 2162 S CB 0.850 63.961 63.200 -0.148 0.000 0.972 2162 S HN 0.384 nan 8.310 nan 0.000 0.486 2163 H N 2.645 121.711 119.070 -0.006 0.000 2.429 2163 H HA 0.242 4.818 4.556 0.034 0.000 0.237 2163 H C -0.265 175.056 175.328 -0.012 0.000 1.378 2163 H CA -0.700 55.343 56.048 -0.008 0.000 1.170 2163 H CB 0.106 29.864 29.762 -0.007 0.000 1.671 2163 H HN 0.473 nan 8.280 nan 0.000 0.541 2164 M N 0.971 120.594 119.600 0.038 0.000 2.501 2164 M HA -0.007 4.494 4.480 0.034 0.000 0.363 2164 M C 1.275 177.589 176.300 0.023 0.000 1.708 2164 M CA 0.748 56.058 55.300 0.018 0.000 1.078 2164 M CB -0.772 31.823 32.600 -0.007 0.000 2.107 2164 M HN 0.853 nan 8.290 nan 0.000 0.466 2165 G N 3.961 112.772 108.800 0.018 0.000 2.283 2165 G HA2 -0.271 3.709 3.960 0.034 0.000 0.280 2165 G HA3 -0.271 3.709 3.960 0.034 0.000 0.280 2165 G C 0.695 175.602 174.900 0.011 0.000 1.029 2165 G CA 0.484 45.589 45.100 0.007 0.000 0.840 2165 G HN 0.690 nan 8.290 nan 0.000 0.505 2166 L N -0.083 121.157 121.223 0.029 0.000 2.072 2166 L HA 0.395 4.756 4.340 0.034 0.000 0.205 2166 L C 2.952 179.817 176.870 -0.008 0.000 1.079 2166 L CA 2.868 57.719 54.840 0.018 0.000 0.752 2166 L CB -0.496 41.585 42.059 0.037 0.000 0.906 2166 L HN 0.468 nan 8.230 nan 0.000 0.436 2167 A N -0.757 122.057 122.820 -0.010 0.000 1.930 2167 A HA -0.082 4.259 4.320 0.034 0.000 0.217 2167 A C 2.420 179.981 177.584 -0.038 0.000 1.175 2167 A CA 1.527 53.547 52.037 -0.028 0.000 0.627 2167 A CB -0.958 18.027 19.000 -0.025 0.000 0.815 2167 A HN 0.489 nan 8.150 nan 0.000 0.443 2168 A N 0.840 123.643 122.820 -0.028 0.000 1.877 2168 A HA -0.187 4.154 4.320 0.034 0.000 0.216 2168 A C 2.257 179.824 177.584 -0.028 0.000 1.186 2168 A CA 1.849 53.867 52.037 -0.030 0.000 0.620 2168 A CB -0.549 18.440 19.000 -0.017 0.000 0.822 2168 A HN 0.697 nan 8.150 nan 0.000 0.443 2169 R N -0.611 119.877 120.500 -0.019 0.000 2.148 2169 R HA -0.022 4.339 4.340 0.034 0.000 0.227 2169 R C 2.104 178.389 176.300 -0.025 0.000 1.103 2169 R CA 1.640 57.730 56.100 -0.017 0.000 0.983 2169 R CB -0.495 29.800 30.300 -0.009 0.000 0.874 2169 R HN 0.543 nan 8.270 nan 0.000 0.451 2170 M N 0.301 119.882 119.600 -0.031 0.000 2.099 2170 M HA -0.115 4.385 4.480 0.034 0.000 0.262 2170 M C 1.897 178.163 176.300 -0.057 0.000 1.067 2170 M CA 1.570 56.848 55.300 -0.037 0.000 1.124 2170 M CB 0.028 32.606 32.600 -0.037 0.000 1.353 2170 M HN 0.227 nan 8.290 nan 0.000 0.410 2171 M N -0.509 119.043 119.600 -0.080 0.000 2.159 2171 M HA -0.176 4.325 4.480 0.034 0.000 0.263 2171 M C 2.427 178.648 176.300 -0.132 0.000 1.063 2171 M CA 1.518 56.739 55.300 -0.131 0.000 1.110 2171 M CB -1.384 31.122 32.600 -0.155 0.000 1.374 2171 M HN 0.386 nan 8.290 nan 0.000 0.411 2172 S N -0.141 115.510 115.700 -0.080 0.000 2.368 2172 S HA -0.200 4.291 4.470 0.034 0.000 0.225 2172 S C 1.894 176.444 174.600 -0.084 0.000 1.030 2172 S CA 1.467 59.630 58.200 -0.061 0.000 0.999 2172 S CB -0.133 63.060 63.200 -0.013 0.000 0.844 2172 S HN 0.537 nan 8.310 nan 0.000 0.459 2173 Q N 0.082 119.848 119.800 -0.057 0.000 2.079 2173 Q HA -0.064 4.296 4.340 0.034 0.000 0.200 2173 Q C 2.205 178.163 176.000 -0.071 0.000 0.974 2173 Q CA 1.317 57.097 55.803 -0.038 0.000 0.840 2173 Q CB -0.386 28.352 28.738 -0.000 0.000 0.898 2173 Q HN 0.620 nan 8.270 nan 0.000 0.430 2174 A N 0.911 123.679 122.820 -0.086 0.000 1.883 2174 A HA -0.223 4.118 4.320 0.034 0.000 0.217 2174 A C 2.060 179.549 177.584 -0.158 0.000 1.186 2174 A CA 1.755 53.742 52.037 -0.083 0.000 0.624 2174 A CB -0.536 18.431 19.000 -0.055 0.000 0.822 2174 A HN 0.402 nan 8.150 nan 0.000 0.444 2175 M N -1.069 118.344 119.600 -0.312 0.000 2.080 2175 M HA -0.146 4.355 4.480 0.034 0.000 0.260 2175 M C 2.169 178.105 176.300 -0.606 0.000 1.068 2175 M CA 1.826 56.745 55.300 -0.634 0.000 1.109 2175 M CB -1.381 30.453 32.600 -1.276 0.000 1.342 2175 M HN 0.457 nan 8.290 nan 0.000 0.405 2176 R N 0.503 120.751 120.500 -0.420 0.000 2.134 2176 R HA -0.204 4.157 4.340 0.034 0.000 0.248 2176 R C 2.193 178.451 176.300 -0.071 0.000 1.143 2176 R CA 2.097 58.124 56.100 -0.121 0.000 0.957 2176 R CB -0.045 30.228 30.300 -0.045 0.000 0.867 2176 R HN 0.405 nan 8.270 nan 0.000 0.441 2177 K N -0.480 119.870 120.400 -0.084 0.000 2.098 2177 K HA 0.002 4.342 4.320 0.034 0.000 0.203 2177 K C 2.083 178.647 176.600 -0.060 0.000 1.051 2177 K CA 0.871 57.127 56.287 -0.051 0.000 0.957 2177 K CB 0.018 32.501 32.500 -0.028 0.000 0.738 2177 K HN 0.134 nan 8.250 nan 0.000 0.447 2178 L N 0.841 122.021 121.223 -0.071 0.000 2.056 2178 L HA -0.130 4.230 4.340 0.034 0.000 0.207 2178 L C 2.608 179.441 176.870 -0.062 0.000 1.078 2178 L CA 0.976 55.785 54.840 -0.051 0.000 0.749 2178 L CB -0.593 41.457 42.059 -0.015 0.000 0.901 2178 L HN 0.199 nan 8.230 nan 0.000 0.433 2179 A N 0.505 123.290 122.820 -0.060 0.000 1.892 2179 A HA -0.218 4.122 4.320 0.034 0.000 0.218 2179 A C 2.380 179.834 177.584 -0.216 0.000 1.188 2179 A CA 2.138 54.163 52.037 -0.020 0.000 0.631 2179 A CB -1.404 17.693 19.000 0.161 0.000 0.822 2179 A HN 0.460 nan 8.150 nan 0.000 0.447 2180 G N -0.677 107.905 108.800 -0.363 0.000 2.402 2180 G HA2 -0.259 3.722 3.960 0.034 0.000 0.216 2180 G HA3 -0.259 3.722 3.960 0.034 0.000 0.216 2180 G C 1.447 176.174 174.900 -0.290 0.000 1.162 2180 G CA 1.062 45.774 45.100 -0.647 0.000 0.777 2180 G HN 0.715 nan 8.290 nan 0.000 0.539 2181 N N 0.005 118.616 118.700 -0.149 0.000 2.166 2181 N HA -0.008 4.752 4.740 0.034 0.000 0.186 2181 N C 2.212 177.686 175.510 -0.059 0.000 1.019 2181 N CA 0.533 53.537 53.050 -0.076 0.000 0.856 2181 N CB -0.149 38.310 38.487 -0.047 0.000 0.993 2181 N HN 0.230 nan 8.380 nan 0.000 0.426 2182 L N 0.838 122.023 121.223 -0.062 0.000 2.046 2182 L HA -0.165 4.195 4.340 0.034 0.000 0.208 2182 L C 2.439 179.297 176.870 -0.020 0.000 1.077 2182 L CA 1.027 55.846 54.840 -0.036 0.000 0.747 2182 L CB -0.299 41.746 42.059 -0.023 0.000 0.896 2182 L HN 0.112 nan 8.230 nan 0.000 0.432 2183 K N 0.615 120.999 120.400 -0.027 0.000 2.026 2183 K HA -0.200 4.141 4.320 0.034 0.000 0.208 2183 K C 2.035 178.656 176.600 0.035 0.000 1.048 2183 K CA 1.607 57.912 56.287 0.029 0.000 0.929 2183 K CB -0.207 32.355 32.500 0.103 0.000 0.713 2183 K HN 0.212 nan 8.250 nan 0.000 0.439 2184 Q N -0.473 119.337 119.800 0.016 0.000 2.488 2184 Q HA 0.056 4.416 4.340 0.034 0.000 0.211 2184 Q C 0.780 176.789 176.000 0.016 0.000 0.967 2184 Q CA 1.165 56.985 55.803 0.029 0.000 0.926 2184 Q CB 0.348 29.105 28.738 0.031 0.000 0.992 2184 Q HN 0.273 nan 8.270 nan 0.000 0.506 2185 S N -0.127 115.576 115.700 0.004 0.000 2.559 2185 S HA 0.071 4.561 4.470 0.034 0.000 0.226 2185 S C 0.236 174.836 174.600 0.001 0.000 1.000 2185 S CA -0.207 57.994 58.200 0.001 0.000 0.948 2185 S CB 0.365 63.561 63.200 -0.007 0.000 0.870 2185 S HN 0.395 nan 8.310 nan 0.000 0.497 2186 N N 2.150 120.853 118.700 0.006 0.000 2.740 2186 N HA -0.138 4.623 4.740 0.034 0.000 0.248 2186 N C -1.219 174.288 175.510 -0.005 0.000 1.062 2186 N CA 0.844 53.897 53.050 0.005 0.000 0.704 2186 N CB -1.637 36.853 38.487 0.006 0.000 0.968 2186 N HN 0.339 nan 8.380 nan 0.000 0.547 2187 T N 0.800 115.347 114.554 -0.012 0.000 2.767 2187 T HA 0.451 4.821 4.350 0.034 0.000 0.284 2187 T C 0.216 174.898 174.700 -0.030 0.000 0.973 2187 T CA -0.672 61.413 62.100 -0.025 0.000 0.996 2187 T CB 1.552 70.400 68.868 -0.033 0.000 0.927 2187 T HN 0.276 nan 8.240 nan 0.000 0.456 2188 L N 4.661 125.862 121.223 -0.037 0.000 2.290 2188 L HA 0.532 4.893 4.340 0.034 0.000 0.284 2188 L C -0.830 175.990 176.870 -0.082 0.000 1.078 2188 L CA -0.288 54.526 54.840 -0.044 0.000 0.815 2188 L CB 0.306 42.342 42.059 -0.038 0.000 1.162 2188 L HN 0.611 nan 8.230 nan 0.000 0.435 2189 L N 7.045 128.208 121.223 -0.100 0.000 2.319 2189 L HA 0.524 4.885 4.340 0.034 0.000 0.281 2189 L C -0.967 175.766 176.870 -0.229 0.000 1.005 2189 L CA -0.469 54.246 54.840 -0.209 0.000 0.828 2189 L CB 1.187 43.104 42.059 -0.238 0.000 1.227 2189 L HN 0.669 nan 8.230 nan 0.000 0.415 2190 I N 4.529 124.935 120.570 -0.274 0.000 2.321 2190 I HA 0.278 4.468 4.170 0.034 0.000 0.291 2190 I C -0.820 175.111 176.117 -0.311 0.000 0.998 2190 I CA -0.326 60.861 61.300 -0.189 0.000 1.227 2190 I CB 1.316 39.253 38.000 -0.106 0.000 1.368 2190 I HN 0.388 nan 8.210 nan 0.000 0.466 2191 F N 6.553 126.477 119.950 -0.044 0.000 2.404 2191 F HA 0.477 5.024 4.527 0.034 0.000 0.354 2191 F C 0.392 176.175 175.800 -0.029 0.000 1.122 2191 F CA -0.432 57.536 58.000 -0.053 0.000 1.080 2191 F CB 1.033 40.013 39.000 -0.033 0.000 1.131 2191 F HN 0.216 nan 8.300 nan 0.000 0.471 2192 I N 3.436 124.084 120.570 0.129 0.000 2.428 2192 I HA 0.213 4.404 4.170 0.034 0.000 0.289 2192 I C -0.143 176.029 176.117 0.091 0.000 1.019 2192 I CA -0.121 61.237 61.300 0.096 0.000 1.351 2192 I CB 1.166 39.193 38.000 0.046 0.000 1.412 2192 I HN 0.644 nan 8.210 nan 0.000 0.513 2193 N N 3.826 122.579 118.700 0.088 0.000 2.312 2193 N HA 0.396 5.157 4.740 0.034 0.000 0.296 2193 N C -1.269 174.208 175.510 -0.054 0.000 1.193 2193 N CA -0.689 52.367 53.050 0.009 0.000 0.773 2193 N CB 1.783 40.278 38.487 0.012 0.000 1.435 2193 N HN 0.538 nan 8.380 nan 0.000 0.484 2194 Q N 0.703 120.354 119.800 -0.248 0.000 2.194 2194 Q HA 0.519 4.879 4.340 0.034 0.000 0.245 2194 Q C -0.694 175.108 176.000 -0.330 0.000 0.993 2194 Q CA -0.677 54.788 55.803 -0.563 0.000 0.930 2194 Q CB 2.006 30.018 28.738 -1.210 0.000 1.238 2194 Q HN 0.468 nan 8.270 nan 0.000 0.486 2195 I N 1.122 121.538 120.570 -0.256 0.000 2.412 2195 I HA 0.404 4.594 4.170 0.034 0.000 0.296 2195 I C -0.189 175.934 176.117 0.010 0.000 0.987 2195 I CA -0.702 60.595 61.300 -0.005 0.000 1.180 2195 I CB 0.983 39.107 38.000 0.207 0.000 1.340 2195 I HN 0.352 nan 8.210 nan 0.000 0.455 2196 R N 4.568 125.060 120.500 -0.013 0.000 2.888 2196 R HA 0.610 4.971 4.340 0.034 0.000 0.266 2196 R C -1.048 175.258 176.300 0.009 0.000 1.020 2196 R CA -1.309 54.798 56.100 0.013 0.000 0.963 2196 R CB 1.598 31.886 30.300 -0.020 0.000 1.197 2196 R HN 0.363 nan 8.270 nan 0.000 0.481 2197 M N 1.868 121.475 119.600 0.012 0.000 2.277 2197 M HA 0.257 4.757 4.480 0.034 0.000 0.350 2197 M C -0.032 176.256 176.300 -0.020 0.000 1.180 2197 M CA -0.502 54.796 55.300 -0.004 0.000 1.103 2197 M CB 0.798 33.396 32.600 -0.002 0.000 1.577 2197 M HN 0.247 nan 8.290 nan 0.000 0.459 2198 K N 3.891 124.272 120.400 -0.031 0.000 2.234 2198 K HA 0.496 4.836 4.320 0.034 0.000 0.277 2198 K C -0.798 175.773 176.600 -0.048 0.000 1.038 2198 K CA -0.330 55.937 56.287 -0.033 0.000 0.888 2198 K CB 0.497 32.982 32.500 -0.025 0.000 1.091 2198 K HN 0.607 nan 8.250 nan 0.000 0.467 2199 I N 1.882 122.429 120.570 -0.038 0.000 2.696 2199 I HA 0.047 4.237 4.170 0.034 0.000 0.284 2199 I C 1.239 177.322 176.117 -0.056 0.000 1.129 2199 I CA 0.861 62.134 61.300 -0.045 0.000 1.410 2199 I CB 0.574 38.557 38.000 -0.029 0.000 1.399 2199 I HN 1.040 nan 8.210 nan 0.000 0.579 2200 G N 4.057 112.810 108.800 -0.077 0.000 2.198 2200 G HA2 -0.201 3.780 3.960 0.034 0.000 0.260 2200 G HA3 -0.201 3.780 3.960 0.034 0.000 0.260 2200 G C -0.158 174.629 174.900 -0.188 0.000 1.025 2200 G CA -0.158 44.893 45.100 -0.083 0.000 0.769 2200 G HN 0.440 nan 8.290 nan 0.000 0.507 2201 V N 0.634 120.348 119.914 -0.332 0.000 2.304 2201 V HA 0.556 4.697 4.120 0.034 0.000 0.278 2201 V C 0.410 176.009 176.094 -0.825 0.000 1.018 2201 V CA -0.313 61.530 62.300 -0.762 0.000 0.814 2201 V CB 1.334 32.933 31.823 -0.374 0.000 1.021 2201 V HN 0.319 nan 8.190 nan 0.000 0.440 2202 M N 6.521 125.414 119.600 -1.177 0.000 2.972 2202 M HA 0.471 4.972 4.480 0.034 0.000 0.323 2202 M C -0.853 175.202 176.300 -0.410 0.000 1.213 2202 M CA 0.254 55.216 55.300 -0.564 0.000 0.935 2202 M CB -0.201 32.248 32.600 -0.251 0.000 1.289 2202 M HN 0.506 nan 8.290 nan 0.000 0.525 2203 F N -2.103 117.846 119.950 -0.001 0.000 2.730 2203 F HA 0.818 5.365 4.527 0.034 0.000 0.335 2203 F C 0.534 176.331 175.800 -0.005 0.000 1.212 2203 F CA -1.233 56.765 58.000 -0.004 0.000 1.016 2203 F CB 0.101 39.098 39.000 -0.005 0.000 1.290 2203 F HN 0.325 nan 8.300 nan 0.000 0.495 2204 G N 2.824 111.704 108.800 0.133 0.000 2.514 2204 G HA2 -0.297 3.684 3.960 0.034 0.000 0.265 2204 G HA3 -0.297 3.684 3.960 0.034 0.000 0.265 2204 G C -0.858 174.057 174.900 0.026 0.000 1.150 2204 G CA 0.009 45.156 45.100 0.078 0.000 0.959 2204 G HN 1.043 nan 8.290 nan 0.000 0.556 2205 N N 2.254 120.971 118.700 0.030 0.000 2.437 2205 N HA 0.518 5.279 4.740 0.034 0.000 0.259 2205 N C -1.291 174.212 175.510 -0.012 0.000 0.983 2205 N CA -1.386 51.669 53.050 0.009 0.000 0.937 2205 N CB 1.787 40.289 38.487 0.026 0.000 1.122 2205 N HN 0.321 nan 8.380 nan 0.000 0.499 2206 P HA 0.058 nan 4.420 nan 0.000 0.249 2206 P C -0.579 176.706 177.300 -0.025 0.000 1.229 2206 P CA 0.503 63.573 63.100 -0.051 0.000 0.788 2206 P CB 0.389 32.050 31.700 -0.065 0.000 1.072 2207 E N 0.307 120.503 120.200 -0.007 0.000 2.331 2207 E HA 0.312 4.683 4.350 0.034 0.000 0.272 2207 E C 0.026 176.600 176.600 -0.043 0.000 1.036 2207 E CA 0.210 56.607 56.400 -0.004 0.000 0.864 2207 E CB 0.807 30.525 29.700 0.030 0.000 1.035 2207 E HN 0.110 nan 8.360 nan 0.000 0.408 2208 T N 0.214 114.727 114.554 -0.069 0.000 2.654 2208 T HA 0.446 4.817 4.350 0.034 0.000 0.289 2208 T C -0.388 174.204 174.700 -0.180 0.000 1.062 2208 T CA -0.752 61.273 62.100 -0.125 0.000 1.041 2208 T CB 1.762 70.577 68.868 -0.088 0.000 1.417 2208 T HN 0.301 nan 8.240 nan 0.000 0.510 2209 T N 1.008 115.438 114.554 -0.207 0.000 2.916 2209 T HA 0.625 4.996 4.350 0.034 0.000 0.292 2209 T C -0.526 174.079 174.700 -0.158 0.000 1.055 2209 T CA -0.403 61.554 62.100 -0.239 0.000 1.009 2209 T CB 1.609 70.258 68.868 -0.365 0.000 1.118 2209 T HN 0.663 nan 8.240 nan 0.000 0.497 2210 T N 1.125 115.591 114.554 -0.147 0.000 2.882 2210 T HA 0.508 4.878 4.350 0.034 0.000 0.287 2210 T C 1.246 175.882 174.700 -0.108 0.000 1.014 2210 T CA 0.683 62.715 62.100 -0.112 0.000 1.049 2210 T CB 0.800 69.604 68.868 -0.108 0.000 1.001 2210 T HN 1.086 nan 8.240 nan 0.000 0.525 2211 G N 0.298 109.048 108.800 -0.084 0.000 2.141 2211 G HA2 0.215 4.195 3.960 0.034 0.000 0.242 2211 G HA3 0.215 4.195 3.960 0.034 0.000 0.242 2211 G C 0.665 175.518 174.900 -0.078 0.000 0.982 2211 G CA 0.096 45.143 45.100 -0.089 0.000 0.662 2211 G HN 1.727 nan 8.290 nan 0.000 0.527 2212 G N -0.492 108.273 108.800 -0.058 0.000 2.587 2212 G HA2 -0.073 3.908 3.960 0.034 0.000 0.212 2212 G HA3 -0.073 3.908 3.960 0.034 0.000 0.212 2212 G C 0.406 175.301 174.900 -0.008 0.000 1.327 2212 G CA 0.509 45.592 45.100 -0.028 0.000 0.898 2212 G HN 0.863 nan 8.290 nan 0.000 0.551 2213 N N 0.271 119.001 118.700 0.051 0.000 2.388 2213 N HA 0.214 4.975 4.740 0.034 0.000 0.176 2213 N C 2.514 178.178 175.510 0.257 0.000 1.062 2213 N CA 1.457 54.587 53.050 0.134 0.000 0.895 2213 N CB -0.173 38.438 38.487 0.206 0.000 1.018 2213 N HN 0.925 nan 8.380 nan 0.000 0.456 2214 A N 1.694 124.638 122.820 0.207 0.000 1.884 2214 A HA -0.174 4.167 4.320 0.034 0.000 0.219 2214 A C 2.165 179.959 177.584 0.349 0.000 1.197 2214 A CA 1.291 53.509 52.037 0.302 0.000 0.637 2214 A CB -0.882 18.192 19.000 0.124 0.000 0.827 2214 A HN 0.222 nan 8.150 nan 0.000 0.450 2215 L N -0.103 121.185 121.223 0.108 0.000 2.042 2215 L HA -0.192 4.169 4.340 0.034 0.000 0.210 2215 L C 2.244 179.176 176.870 0.102 0.000 1.076 2215 L CA 2.343 57.212 54.840 0.048 0.000 0.749 2215 L CB -0.641 41.329 42.059 -0.148 0.000 0.893 2215 L HN 0.404 nan 8.230 nan 0.000 0.432 2216 K N -1.186 119.234 120.400 0.034 0.000 2.059 2216 K HA -0.246 4.094 4.320 0.034 0.000 0.212 2216 K C 2.046 178.583 176.600 -0.105 0.000 1.050 2216 K CA 2.253 58.485 56.287 -0.093 0.000 0.927 2216 K CB -0.480 31.859 32.500 -0.270 0.000 0.714 2216 K HN 0.290 nan 8.250 nan 0.000 0.447 2217 F N -0.869 119.112 119.950 0.053 0.000 2.163 2217 F HA -0.127 4.421 4.527 0.034 0.000 0.297 2217 F C 2.018 177.779 175.800 -0.064 0.000 1.094 2217 F CA 1.070 59.054 58.000 -0.026 0.000 1.290 2217 F CB -0.277 38.669 39.000 -0.089 0.000 1.017 2217 F HN 0.024 nan 8.300 nan 0.000 0.483 2218 Y N -0.032 120.393 120.300 0.208 0.000 2.475 2218 Y HA 0.252 4.823 4.550 0.035 0.000 0.289 2218 Y C 1.534 177.497 175.900 0.105 0.000 1.121 2218 Y CA -0.102 58.083 58.100 0.143 0.000 1.257 2218 Y CB -0.604 37.925 38.460 0.114 0.000 1.026 2218 Y HN -0.124 nan 8.280 nan 0.000 0.555 2219 A N -0.193 122.753 122.820 0.209 0.000 2.488 2219 A HA 0.172 4.513 4.320 0.034 0.000 0.249 2219 A C 1.258 178.888 177.584 0.077 0.000 1.083 2219 A CA 0.275 52.397 52.037 0.141 0.000 0.768 2219 A CB 0.237 19.303 19.000 0.110 0.000 1.017 2219 A HN 0.307 nan 8.150 nan 0.000 0.496 2220 S N 0.612 116.349 115.700 0.062 0.000 2.470 2220 S HA 0.141 4.632 4.470 0.034 0.000 0.225 2220 S C 0.422 175.006 174.600 -0.027 0.000 1.006 2220 S CA 0.589 58.797 58.200 0.013 0.000 0.934 2220 S CB 0.036 63.246 63.200 0.017 0.000 0.778 2220 S HN 0.566 nan 8.310 nan 0.000 0.517 2221 V N 2.197 122.106 119.914 -0.008 0.000 2.760 2221 V HA 0.482 4.623 4.120 0.034 0.000 0.309 2221 V C -0.756 175.338 176.094 0.001 0.000 1.077 2221 V CA -0.880 61.401 62.300 -0.032 0.000 0.910 2221 V CB 2.106 33.910 31.823 -0.030 0.000 1.008 2221 V HN 0.126 nan 8.190 nan 0.000 0.424 2222 R N 3.923 124.414 120.500 -0.015 0.000 2.534 2222 R HA 0.699 5.060 4.340 0.034 0.000 0.301 2222 R C -1.889 174.398 176.300 -0.022 0.000 0.961 2222 R CA -0.911 55.212 56.100 0.038 0.000 0.871 2222 R CB 2.322 32.686 30.300 0.107 0.000 1.170 2222 R HN 0.347 nan 8.270 nan 0.000 0.446 2223 L N 2.257 123.443 121.223 -0.063 0.000 2.333 2223 L HA 0.293 4.654 4.340 0.034 0.000 0.280 2223 L C -0.369 176.239 176.870 -0.436 0.000 1.004 2223 L CA -0.565 54.182 54.840 -0.155 0.000 0.820 2223 L CB 1.549 43.565 42.059 -0.072 0.000 1.247 2223 L HN 0.494 nan 8.230 nan 0.000 0.416 2224 D N 4.288 124.412 120.400 -0.460 0.000 2.412 2224 D HA 0.271 4.932 4.640 0.034 0.000 0.224 2224 D C -0.684 175.456 176.300 -0.267 0.000 1.093 2224 D CA -0.186 53.432 54.000 -0.636 0.000 0.850 2224 D CB 0.934 41.477 40.800 -0.428 0.000 1.046 2224 D HN 0.460 nan 8.370 nan 0.000 0.507 2225 I N 3.375 123.825 120.570 -0.199 0.000 2.437 2225 I HA 0.495 4.685 4.170 0.034 0.000 0.298 2225 I C -0.690 175.407 176.117 -0.034 0.000 0.984 2225 I CA -0.673 60.585 61.300 -0.071 0.000 1.214 2225 I CB 0.701 38.703 38.000 0.003 0.000 1.365 2225 I HN 0.264 nan 8.210 nan 0.000 0.469 2226 R N 5.498 125.973 120.500 -0.042 0.000 2.626 2226 R HA 0.378 4.738 4.340 0.034 0.000 0.274 2226 R C -1.148 175.131 176.300 -0.034 0.000 1.031 2226 R CA -0.907 55.182 56.100 -0.019 0.000 0.898 2226 R CB 2.050 32.340 30.300 -0.017 0.000 1.222 2226 R HN 0.566 nan 8.270 nan 0.000 0.455 2227 R N 4.043 124.545 120.500 0.004 0.000 2.234 2227 R HA 0.205 4.565 4.340 0.034 0.000 0.324 2227 R C 0.685 176.980 176.300 -0.008 0.000 1.054 2227 R CA 0.023 56.128 56.100 0.009 0.000 0.912 2227 R CB 0.424 30.766 30.300 0.069 0.000 1.030 2227 R HN 0.768 nan 8.270 nan 0.000 0.455 2228 I N 0.662 121.211 120.570 -0.035 0.000 4.082 2228 I HA 0.503 4.694 4.170 0.034 0.000 0.337 2228 I C 0.387 176.483 176.117 -0.036 0.000 1.352 2228 I CA -0.217 61.061 61.300 -0.038 0.000 1.097 2228 I CB 0.975 38.941 38.000 -0.056 0.000 1.048 2228 I HN 0.669 nan 8.210 nan 0.000 0.393 2229 G N 1.056 109.836 108.800 -0.034 0.000 2.320 2229 G HA2 0.612 4.592 3.960 0.034 0.000 0.296 2229 G HA3 0.612 4.592 3.960 0.034 0.000 0.296 2229 G C -1.986 172.887 174.900 -0.045 0.000 1.306 2229 G CA -0.232 44.842 45.100 -0.044 0.000 0.836 2229 G HN 0.324 nan 8.290 nan 0.000 0.517 2230 A N -0.728 122.052 122.820 -0.067 0.000 2.324 2230 A HA 0.780 5.121 4.320 0.034 0.000 0.330 2230 A C -0.311 177.241 177.584 -0.053 0.000 1.165 2230 A CA -0.550 51.446 52.037 -0.068 0.000 0.813 2230 A CB 1.607 20.530 19.000 -0.129 0.000 1.197 2230 A HN 1.469 nan 8.150 nan 0.000 0.484 2231 V N 3.014 122.894 119.914 -0.056 0.000 2.383 2231 V HA 0.347 4.487 4.120 0.034 0.000 0.275 2231 V C 0.088 176.157 176.094 -0.042 0.000 1.036 2231 V CA -0.285 61.980 62.300 -0.059 0.000 0.889 2231 V CB 0.894 32.663 31.823 -0.090 0.000 0.985 2231 V HN 0.837 nan 8.190 nan 0.000 0.459 2232 K N 3.419 123.803 120.400 -0.026 0.000 2.345 2232 K HA 0.452 4.793 4.320 0.034 0.000 0.255 2232 K C -0.652 175.946 176.600 -0.003 0.000 0.934 2232 K CA -0.717 55.565 56.287 -0.009 0.000 0.801 2232 K CB 2.405 34.898 32.500 -0.012 0.000 1.137 2232 K HN 0.520 nan 8.250 nan 0.000 0.424 2233 E N 2.284 122.489 120.200 0.009 0.000 2.069 2233 E HA 0.109 4.480 4.350 0.034 0.000 0.254 2233 E C 0.819 177.427 176.600 0.013 0.000 1.088 2233 E CA -0.029 56.378 56.400 0.011 0.000 1.017 2233 E CB 0.689 30.402 29.700 0.020 0.000 1.226 2233 E HN 0.987 nan 8.360 nan 0.000 0.458 2234 G N 3.680 112.484 108.800 0.006 0.000 3.434 2234 G HA2 -0.450 3.531 3.960 0.034 0.000 0.343 2234 G HA3 -0.450 3.531 3.960 0.034 0.000 0.343 2234 G C 1.124 176.030 174.900 0.010 0.000 1.240 2234 G CA 0.712 45.816 45.100 0.006 0.000 0.996 2234 G HN 0.488 nan 8.290 nan 0.000 0.650 2235 E N 1.938 122.149 120.200 0.017 0.000 2.033 2235 E HA -0.021 4.350 4.350 0.034 0.000 0.189 2235 E C 1.093 177.714 176.600 0.035 0.000 0.979 2235 E CA 1.044 57.458 56.400 0.023 0.000 0.802 2235 E CB -0.376 29.341 29.700 0.027 0.000 0.763 2235 E HN 0.759 nan 8.360 nan 0.000 0.449 2236 N N 1.294 120.021 118.700 0.046 0.000 2.514 2236 N HA 0.165 4.926 4.740 0.034 0.000 0.277 2236 N C -0.738 174.822 175.510 0.083 0.000 1.126 2236 N CA -0.243 52.851 53.050 0.074 0.000 0.978 2236 N CB 1.660 40.195 38.487 0.080 0.000 1.106 2236 N HN -0.193 nan 8.380 nan 0.000 0.461 2237 V N 2.409 122.403 119.914 0.133 0.000 2.405 2237 V HA 0.024 4.165 4.120 0.034 0.000 0.264 2237 V C 0.753 176.991 176.094 0.241 0.000 1.048 2237 V CA -0.102 62.300 62.300 0.169 0.000 0.966 2237 V CB 1.014 32.978 31.823 0.236 0.000 1.015 2237 V HN 0.626 nan 8.190 nan 0.000 0.477 2238 V N 4.372 124.337 119.914 0.085 0.000 3.605 2238 V HA 0.624 4.765 4.120 0.034 0.000 0.284 2238 V C 0.834 176.687 176.094 -0.403 0.000 1.386 2238 V CA 1.196 63.506 62.300 0.017 0.000 1.053 2238 V CB 0.373 32.205 31.823 0.016 0.000 0.857 2238 V HN 0.928 nan 8.190 nan 0.000 0.436 2239 G N -1.060 107.384 108.800 -0.594 0.000 2.550 2239 G HA2 0.493 4.474 3.960 0.034 0.000 0.293 2239 G HA3 0.493 4.474 3.960 0.034 0.000 0.293 2239 G C -1.479 173.148 174.900 -0.456 0.000 1.402 2239 G CA -0.263 44.230 45.100 -1.010 0.000 0.784 2239 G HN 0.009 nan 8.290 nan 0.000 0.482 2240 S N -0.150 115.409 115.700 -0.235 0.000 2.449 2240 S HA 0.509 5.000 4.470 0.034 0.000 0.310 2240 S C -0.469 174.123 174.600 -0.013 0.000 1.096 2240 S CA -0.430 57.794 58.200 0.040 0.000 1.095 2240 S CB 1.740 65.069 63.200 0.216 0.000 1.007 2240 S HN 0.573 nan 8.310 nan 0.000 0.474 2241 E N 2.093 122.275 120.200 -0.030 0.000 2.290 2241 E HA 0.341 4.712 4.350 0.034 0.000 0.277 2241 E C -0.669 175.861 176.600 -0.117 0.000 1.035 2241 E CA 0.287 56.646 56.400 -0.069 0.000 0.873 2241 E CB 0.563 30.227 29.700 -0.060 0.000 1.029 2241 E HN 0.458 nan 8.360 nan 0.000 0.419 2242 T N 4.882 119.284 114.554 -0.252 0.000 2.876 2242 T HA 0.491 4.862 4.350 0.034 0.000 0.289 2242 T C -0.670 173.716 174.700 -0.524 0.000 1.014 2242 T CA -0.745 61.115 62.100 -0.400 0.000 0.986 2242 T CB 1.256 69.780 68.868 -0.573 0.000 1.021 2242 T HN 0.314 nan 8.240 nan 0.000 0.458 2243 R N 1.993 122.287 120.500 -0.343 0.000 2.534 2243 R HA 0.711 5.072 4.340 0.034 0.000 0.301 2243 R C -1.715 174.476 176.300 -0.183 0.000 0.961 2243 R CA -0.555 55.392 56.100 -0.255 0.000 0.871 2243 R CB 1.359 31.579 30.300 -0.134 0.000 1.170 2243 R HN 0.445 nan 8.270 nan 0.000 0.446 2244 V N 4.472 124.316 119.914 -0.117 0.000 2.448 2244 V HA 0.396 4.536 4.120 0.034 0.000 0.295 2244 V C -0.401 175.686 176.094 -0.011 0.000 1.025 2244 V CA -0.857 61.426 62.300 -0.030 0.000 0.859 2244 V CB 1.821 33.695 31.823 0.086 0.000 0.988 2244 V HN 0.686 nan 8.190 nan 0.000 0.431 2245 K N 2.941 123.325 120.400 -0.028 0.000 2.159 2245 K HA 0.607 4.947 4.320 0.034 0.000 0.266 2245 K C -0.893 175.697 176.600 -0.015 0.000 0.975 2245 K CA -0.716 55.575 56.287 0.007 0.000 0.865 2245 K CB 2.273 34.795 32.500 0.038 0.000 1.087 2245 K HN 0.459 nan 8.250 nan 0.000 0.446 2246 V N 4.388 124.296 119.914 -0.010 0.000 2.356 2246 V HA -0.005 4.135 4.120 0.034 0.000 0.258 2246 V C 1.007 177.021 176.094 -0.133 0.000 1.065 2246 V CA -0.017 62.238 62.300 -0.075 0.000 0.935 2246 V CB 0.821 32.586 31.823 -0.097 0.000 1.061 2246 V HN 0.684 nan 8.190 nan 0.000 0.484 2247 V N 4.226 124.082 119.914 -0.097 0.000 2.878 2247 V HA 0.121 4.262 4.120 0.034 0.000 0.250 2247 V C 0.906 176.861 176.094 -0.231 0.000 1.075 2247 V CA 1.262 63.536 62.300 -0.043 0.000 1.096 2247 V CB 0.063 31.950 31.823 0.107 0.000 0.724 2247 V HN 0.804 nan 8.190 nan 0.000 0.467 2248 K N 0.750 121.014 120.400 -0.226 0.000 2.498 2248 K HA 0.397 4.738 4.320 0.034 0.000 0.254 2248 K C -1.572 174.875 176.600 -0.255 0.000 0.933 2248 K CA -0.584 55.545 56.287 -0.262 0.000 0.806 2248 K CB 1.784 34.206 32.500 -0.129 0.000 1.301 2248 K HN 0.109 nan 8.250 nan 0.000 0.432 2249 N N 2.956 121.471 118.700 -0.309 0.000 2.503 2249 N HA 0.224 4.985 4.740 0.034 0.000 0.287 2249 N C -0.956 174.388 175.510 -0.276 0.000 1.096 2249 N CA -0.385 52.505 53.050 -0.266 0.000 0.936 2249 N CB 1.837 40.147 38.487 -0.295 0.000 1.570 2249 N HN 0.682 nan 8.380 nan 0.000 0.504 2250 K N 2.295 122.572 120.400 -0.205 0.000 2.353 2250 K HA 0.290 4.630 4.320 0.034 0.000 0.195 2250 K C 1.342 177.807 176.600 -0.225 0.000 1.031 2250 K CA 0.311 56.473 56.287 -0.208 0.000 1.079 2250 K CB 0.355 32.788 32.500 -0.112 0.000 0.857 2250 K HN 0.684 nan 8.250 nan 0.000 0.535 2251 I N -4.137 116.318 120.570 -0.191 0.000 4.181 2251 I HA 0.400 4.590 4.170 0.034 0.000 0.331 2251 I C 0.255 176.280 176.117 -0.153 0.000 1.312 2251 I CA -0.442 60.770 61.300 -0.146 0.000 1.146 2251 I CB 0.877 38.828 38.000 -0.082 0.000 1.074 2251 I HN -0.168 nan 8.210 nan 0.000 0.402 2252 A N 1.160 123.858 122.820 -0.204 0.000 2.536 2252 A HA 0.800 5.141 4.320 0.034 0.000 0.293 2252 A C -0.688 176.744 177.584 -0.254 0.000 1.119 2252 A CA -0.251 51.684 52.037 -0.170 0.000 0.654 2252 A CB 0.239 19.183 19.000 -0.093 0.000 1.291 2252 A HN 0.332 nan 8.150 nan 0.000 0.439 2253 A N 1.246 123.949 122.820 -0.195 0.000 2.561 2253 A HA 0.538 4.879 4.320 0.034 0.000 0.234 2253 A C -1.981 175.399 177.584 -0.340 0.000 1.055 2253 A CA -0.110 51.746 52.037 -0.302 0.000 0.756 2253 A CB -0.753 18.219 19.000 -0.047 0.000 0.986 2253 A HN 0.559 nan 8.150 nan 0.000 0.505 2254 P HA 0.551 nan 4.420 nan 0.000 0.284 2254 P C -0.189 176.910 177.300 -0.336 0.000 1.292 2254 P CA -0.287 62.447 63.100 -0.610 0.000 0.800 2254 P CB 0.247 31.285 31.700 -1.103 0.000 1.188 2255 F N -4.514 115.415 119.950 -0.035 0.000 2.699 2255 F HA -0.193 4.354 4.527 0.034 0.000 0.343 2255 F C 0.688 176.497 175.800 0.016 0.000 0.633 2255 F CA 0.603 58.608 58.000 0.008 0.000 1.365 2255 F CB -2.439 36.591 39.000 0.049 0.000 1.795 2255 F HN 0.234 nan 8.300 nan 0.000 0.304 2256 K N 1.246 121.714 120.400 0.114 0.000 2.138 2256 K HA 0.515 4.856 4.320 0.034 0.000 0.251 2256 K C 0.476 177.117 176.600 0.067 0.000 1.015 2256 K CA -0.271 56.067 56.287 0.085 0.000 0.917 2256 K CB 0.755 33.284 32.500 0.049 0.000 1.021 2256 K HN 0.420 nan 8.250 nan 0.000 0.485 2257 Q N -0.427 119.408 119.800 0.057 0.000 2.456 2257 Q HA 0.732 5.093 4.340 0.034 0.000 0.283 2257 Q C -1.734 174.294 176.000 0.047 0.000 1.084 2257 Q CA -1.299 54.531 55.803 0.045 0.000 0.801 2257 Q CB 2.067 30.826 28.738 0.036 0.000 1.434 2257 Q HN 0.530 nan 8.270 nan 0.000 0.419 2258 A N 1.197 124.051 122.820 0.057 0.000 2.365 2258 A HA 0.675 5.015 4.320 0.034 0.000 0.318 2258 A C -1.231 176.371 177.584 0.029 0.000 1.091 2258 A CA -0.617 51.481 52.037 0.102 0.000 0.763 2258 A CB 1.714 20.843 19.000 0.216 0.000 1.248 2258 A HN 0.745 nan 8.150 nan 0.000 0.442 2259 E N 0.490 120.710 120.200 0.034 0.000 2.234 2259 E HA 0.652 5.022 4.350 0.034 0.000 0.266 2259 E C -1.441 175.166 176.600 0.012 0.000 0.877 2259 E CA -0.301 56.033 56.400 -0.109 0.000 0.758 2259 E CB 1.936 31.593 29.700 -0.072 0.000 1.170 2259 E HN 0.610 nan 8.360 nan 0.000 0.415 2260 F N -0.920 119.023 119.950 -0.011 0.000 2.779 2260 F HA 0.444 4.992 4.527 0.034 0.000 0.316 2260 F C -1.126 174.669 175.800 -0.008 0.000 1.164 2260 F CA -1.221 56.769 58.000 -0.017 0.000 0.924 2260 F CB 0.910 39.900 39.000 -0.018 0.000 1.348 2260 F HN 0.145 nan 8.300 nan 0.000 0.467 2261 Q N 1.318 121.291 119.800 0.288 0.000 2.245 2261 Q HA 0.648 5.008 4.340 0.034 0.000 0.256 2261 Q C -1.136 175.027 176.000 0.271 0.000 0.942 2261 Q CA -0.741 55.160 55.803 0.163 0.000 0.896 2261 Q CB 2.816 31.595 28.738 0.069 0.000 1.272 2261 Q HN 0.579 nan 8.270 nan 0.000 0.442 2262 I N 3.562 124.237 120.570 0.174 0.000 2.328 2262 I HA 0.239 4.430 4.170 0.034 0.000 0.287 2262 I C -0.635 175.473 176.117 -0.014 0.000 1.012 2262 I CA -0.436 60.966 61.300 0.170 0.000 1.195 2262 I CB 0.689 38.840 38.000 0.251 0.000 1.350 2262 I HN 0.357 nan 8.210 nan 0.000 0.464 2263 L N 6.942 128.164 121.223 -0.002 0.000 2.275 2263 L HA 0.358 4.719 4.340 0.034 0.000 0.288 2263 L C -0.593 176.300 176.870 0.039 0.000 1.046 2263 L CA -0.885 53.895 54.840 -0.100 0.000 0.805 2263 L CB 0.393 42.438 42.059 -0.023 0.000 1.193 2263 L HN 0.375 nan 8.230 nan 0.000 0.426 2264 Y N 1.559 121.951 120.300 0.152 0.000 2.610 2264 Y HA 0.216 4.786 4.550 0.035 0.000 0.332 2264 Y C 1.495 177.519 175.900 0.207 0.000 1.201 2264 Y CA 0.170 58.392 58.100 0.202 0.000 1.465 2264 Y CB 0.079 38.629 38.460 0.150 0.000 1.283 2264 Y HN 0.854 nan 8.280 nan 0.000 0.563 2265 G N 1.677 110.783 108.800 0.510 0.000 2.168 2265 G HA2 -0.371 3.610 3.960 0.034 0.000 0.263 2265 G HA3 -0.371 3.610 3.960 0.034 0.000 0.263 2265 G C 0.768 175.702 174.900 0.056 0.000 0.977 2265 G CA 0.881 46.148 45.100 0.278 0.000 0.659 2265 G HN 0.727 nan 8.290 nan 0.000 0.533 2266 E N -1.747 118.487 120.200 0.056 0.000 2.571 2266 E HA 0.454 4.825 4.350 0.034 0.000 0.204 2266 E C 1.359 177.953 176.600 -0.011 0.000 0.851 2266 E CA 1.182 57.589 56.400 0.012 0.000 1.358 2266 E CB 0.497 30.224 29.700 0.045 0.000 1.327 2266 E HN 1.755 nan 8.360 nan 0.000 0.665 2267 G N 0.936 109.760 108.800 0.040 0.000 2.428 2267 G HA2 -0.166 3.815 3.960 0.034 0.000 0.202 2267 G HA3 -0.166 3.815 3.960 0.034 0.000 0.202 2267 G C -0.576 174.366 174.900 0.070 0.000 1.247 2267 G CA -0.405 44.721 45.100 0.043 0.000 1.020 2267 G HN 0.178 nan 8.290 nan 0.000 0.529 2268 I N 1.411 122.003 120.570 0.037 0.000 2.683 2268 I HA 0.026 4.217 4.170 0.034 0.000 0.286 2268 I C 0.730 176.869 176.117 0.038 0.000 1.175 2268 I CA -0.105 61.203 61.300 0.014 0.000 1.429 2268 I CB 0.594 38.484 38.000 -0.183 0.000 1.371 2268 I HN 0.464 nan 8.210 nan 0.000 0.569 2269 N N 6.587 125.334 118.700 0.079 0.000 2.895 2269 N HA -0.024 4.737 4.740 0.034 0.000 0.277 2269 N C 0.572 176.112 175.510 0.050 0.000 1.185 2269 N CA 0.108 53.209 53.050 0.084 0.000 1.106 2269 N CB -0.125 38.414 38.487 0.086 0.000 1.422 2269 N HN 0.517 nan 8.380 nan 0.000 0.521 2270 F N 2.807 122.674 119.950 -0.138 0.000 2.102 2270 F HA -0.180 4.368 4.527 0.035 0.000 0.298 2270 F C 0.907 176.569 175.800 -0.231 0.000 1.105 2270 F CA 1.557 59.400 58.000 -0.260 0.000 1.239 2270 F CB -0.103 38.643 39.000 -0.423 0.000 0.991 2270 F HN 0.392 nan 8.300 nan 0.000 0.474 2271 Y N 0.460 120.816 120.300 0.094 0.000 2.352 2271 Y HA 0.027 4.598 4.550 0.034 0.000 0.292 2271 Y C 2.627 178.471 175.900 -0.095 0.000 1.136 2271 Y CA 0.909 59.005 58.100 -0.006 0.000 1.227 2271 Y CB -1.272 37.233 38.460 0.075 0.000 0.991 2271 Y HN 0.144 nan 8.280 nan 0.000 0.545 2272 G N 0.038 108.872 108.800 0.057 0.000 2.459 2272 G HA2 -0.261 3.720 3.960 0.034 0.000 0.217 2272 G HA3 -0.261 3.720 3.960 0.034 0.000 0.217 2272 G C 1.491 176.357 174.900 -0.058 0.000 1.183 2272 G CA 1.102 46.201 45.100 -0.002 0.000 0.776 2272 G HN 0.401 nan 8.290 nan 0.000 0.552 2273 E N -0.285 119.842 120.200 -0.121 0.000 2.097 2273 E HA -0.152 4.219 4.350 0.034 0.000 0.196 2273 E C 2.400 178.883 176.600 -0.195 0.000 1.000 2273 E CA 0.906 57.210 56.400 -0.160 0.000 0.804 2273 E CB -0.227 29.316 29.700 -0.262 0.000 0.740 2273 E HN 0.305 nan 8.360 nan 0.000 0.454 2274 L N 0.656 121.702 121.223 -0.295 0.000 2.046 2274 L HA -0.173 4.188 4.340 0.034 0.000 0.208 2274 L C 2.202 179.030 176.870 -0.070 0.000 1.077 2274 L CA 1.360 56.071 54.840 -0.215 0.000 0.747 2274 L CB -0.386 41.556 42.059 -0.196 0.000 0.896 2274 L HN -0.026 nan 8.230 nan 0.000 0.432 2275 V N -0.189 119.698 119.914 -0.045 0.000 2.233 2275 V HA -0.331 3.809 4.120 0.034 0.000 0.247 2275 V C 2.324 178.428 176.094 0.017 0.000 1.050 2275 V CA 2.078 64.360 62.300 -0.031 0.000 1.010 2275 V CB -0.794 30.951 31.823 -0.130 0.000 0.637 2275 V HN 0.420 nan 8.190 nan 0.000 0.444 2276 D N -0.077 120.326 120.400 0.006 0.000 2.116 2276 D HA -0.162 4.499 4.640 0.034 0.000 0.193 2276 D C 2.038 178.359 176.300 0.035 0.000 0.998 2276 D CA 1.163 55.186 54.000 0.038 0.000 0.836 2276 D CB -0.353 40.459 40.800 0.021 0.000 0.951 2276 D HN 0.163 nan 8.370 nan 0.000 0.449 2277 L N 0.616 121.840 121.223 0.001 0.000 2.046 2277 L HA -0.025 4.336 4.340 0.034 0.000 0.208 2277 L C 2.538 179.425 176.870 0.029 0.000 1.077 2277 L CA 1.667 56.508 54.840 0.003 0.000 0.747 2277 L CB -1.631 40.407 42.059 -0.035 0.000 0.896 2277 L HN 0.082 nan 8.230 nan 0.000 0.432 2278 G N -1.026 107.796 108.800 0.036 0.000 2.446 2278 G HA2 -0.203 3.777 3.960 0.034 0.000 0.217 2278 G HA3 -0.203 3.777 3.960 0.034 0.000 0.217 2278 G C 1.755 176.716 174.900 0.103 0.000 1.168 2278 G CA 1.069 46.214 45.100 0.074 0.000 0.771 2278 G HN 0.276 nan 8.290 nan 0.000 0.551 2279 V N 0.785 120.769 119.914 0.116 0.000 2.295 2279 V HA -0.143 3.998 4.120 0.034 0.000 0.246 2279 V C 2.695 178.838 176.094 0.082 0.000 1.049 2279 V CA 2.198 64.573 62.300 0.126 0.000 1.024 2279 V CB -0.371 31.556 31.823 0.174 0.000 0.648 2279 V HN 0.406 nan 8.190 nan 0.000 0.447 2280 K N -0.146 120.294 120.400 0.067 0.000 2.097 2280 K HA -0.189 4.152 4.320 0.034 0.000 0.206 2280 K C 1.722 178.349 176.600 0.046 0.000 1.049 2280 K CA 1.384 57.700 56.287 0.049 0.000 0.933 2280 K CB 0.004 32.528 32.500 0.040 0.000 0.717 2280 K HN 0.363 nan 8.250 nan 0.000 0.442 2281 E N 0.746 120.978 120.200 0.052 0.000 2.465 2281 E HA -0.005 4.366 4.350 0.034 0.000 0.191 2281 E C -0.254 176.381 176.600 0.058 0.000 1.053 2281 E CA 0.123 56.554 56.400 0.051 0.000 0.869 2281 E CB 0.504 30.235 29.700 0.051 0.000 0.977 2281 E HN 0.182 nan 8.360 nan 0.000 0.483 2282 K N -0.113 120.325 120.400 0.063 0.000 3.160 2282 K HA -0.193 4.148 4.320 0.034 0.000 0.280 2282 K C 0.884 177.532 176.600 0.080 0.000 1.154 2282 K CA 0.447 56.770 56.287 0.061 0.000 0.822 2282 K CB -2.123 30.402 32.500 0.041 0.000 1.239 2282 K HN 0.253 nan 8.250 nan 0.000 0.489 2283 L N -0.562 120.732 121.223 0.117 0.000 2.298 2283 L HA 0.236 4.596 4.340 0.034 0.000 0.209 2283 L C 1.150 178.177 176.870 0.262 0.000 1.084 2283 L CA 0.443 55.392 54.840 0.182 0.000 0.816 2283 L CB 0.177 42.362 42.059 0.210 0.000 0.967 2283 L HN 0.104 nan 8.230 nan 0.000 0.460 2284 I N -0.031 120.673 120.570 0.222 0.000 2.404 2284 I HA 0.205 4.395 4.170 0.034 0.000 0.293 2284 I C -0.193 176.022 176.117 0.164 0.000 0.992 2284 I CA -0.548 60.902 61.300 0.249 0.000 1.149 2284 I CB 2.047 40.196 38.000 0.248 0.000 1.315 2284 I HN -0.083 nan 8.210 nan 0.000 0.446 2285 E N 6.006 126.282 120.200 0.126 0.000 2.301 2285 E HA 0.276 4.647 4.350 0.034 0.000 0.275 2285 E C -0.782 175.825 176.600 0.012 0.000 1.030 2285 E CA -0.367 56.064 56.400 0.053 0.000 0.852 2285 E CB 1.038 30.750 29.700 0.020 0.000 1.060 2285 E HN 0.319 nan 8.360 nan 0.000 0.401 2286 K N 2.722 123.084 120.400 -0.063 0.000 2.616 2286 K HA 0.533 4.873 4.320 0.034 0.000 0.241 2286 K C -1.726 174.788 176.600 -0.143 0.000 0.961 2286 K CA -0.637 55.518 56.287 -0.220 0.000 0.942 2286 K CB 1.096 33.399 32.500 -0.329 0.000 1.153 2286 K HN 0.506 nan 8.250 nan 0.000 0.452 2287 A N 3.396 126.162 122.820 -0.090 0.000 2.412 2287 A HA 0.606 4.946 4.320 0.034 0.000 0.334 2287 A C 0.793 178.373 177.584 -0.007 0.000 1.419 2287 A CA 0.375 52.394 52.037 -0.030 0.000 0.930 2287 A CB 0.140 19.142 19.000 0.002 0.000 1.149 2287 A HN 1.020 nan 8.150 nan 0.000 0.515 2288 G N 1.981 110.754 108.800 -0.045 0.000 2.687 2288 G HA2 -0.071 3.909 3.960 0.034 0.000 0.303 2288 G HA3 -0.071 3.909 3.960 0.034 0.000 0.303 2288 G C 1.291 176.124 174.900 -0.110 0.000 1.209 2288 G CA 0.907 45.982 45.100 -0.042 0.000 0.968 2288 G HN 1.996 nan 8.290 nan 0.000 0.549 2289 A N -0.873 121.886 122.820 -0.101 0.000 2.303 2289 A HA 0.517 4.857 4.320 0.034 0.000 0.217 2289 A C 0.597 178.021 177.584 -0.266 0.000 1.205 2289 A CA 0.440 52.363 52.037 -0.191 0.000 0.875 2289 A CB 0.056 18.939 19.000 -0.194 0.000 0.910 2289 A HN 0.562 nan 8.150 nan 0.000 0.501 2290 W N -0.113 121.096 121.300 -0.153 0.000 2.335 2290 W HA 0.506 5.186 4.660 0.034 0.000 0.306 2290 W C -0.734 175.661 176.519 -0.206 0.000 1.216 2290 W CA -0.084 57.201 57.345 -0.099 0.000 1.237 2290 W CB 0.365 29.784 29.460 -0.067 0.000 1.243 2290 W HN 0.233 nan 8.180 nan 0.000 0.493 2291 Y N 2.575 123.015 120.300 0.234 0.000 2.330 2291 Y HA 0.452 5.022 4.550 0.034 0.000 0.336 2291 Y C 0.498 176.456 175.900 0.097 0.000 1.036 2291 Y CA -0.341 57.830 58.100 0.119 0.000 1.125 2291 Y CB 1.406 39.895 38.460 0.047 0.000 1.194 2291 Y HN 0.140 nan 8.280 nan 0.000 0.469 2292 S N 2.430 118.235 115.700 0.175 0.000 2.526 2292 S HA 0.426 4.916 4.470 0.034 0.000 0.293 2292 S C -1.962 172.704 174.600 0.111 0.000 1.092 2292 S CA -0.800 57.440 58.200 0.066 0.000 0.980 2292 S CB 1.369 64.575 63.200 0.009 0.000 1.048 2292 S HN 0.493 nan 8.310 nan 0.000 0.483 2293 Y N 2.603 122.833 120.300 -0.117 0.000 2.350 2293 Y HA 0.377 4.948 4.550 0.034 0.000 0.338 2293 Y C 0.148 176.025 175.900 -0.039 0.000 0.961 2293 Y CA -1.051 57.012 58.100 -0.061 0.000 1.100 2293 Y CB 0.701 39.122 38.460 -0.065 0.000 1.179 2293 Y HN 0.798 nan 8.280 nan 0.000 0.454 2294 K N 4.846 124.910 120.400 -0.560 0.000 3.177 2294 K HA -0.275 4.066 4.320 0.034 0.000 0.266 2294 K C 0.957 177.436 176.600 -0.202 0.000 0.937 2294 K CA 1.028 57.051 56.287 -0.440 0.000 0.702 2294 K CB -1.666 30.483 32.500 -0.585 0.000 1.365 2294 K HN 1.295 nan 8.250 nan 0.000 0.466 2295 G N -0.122 108.594 108.800 -0.141 0.000 2.320 2295 G HA2 -0.345 3.635 3.960 0.034 0.000 0.242 2295 G HA3 -0.345 3.635 3.960 0.034 0.000 0.242 2295 G C -0.110 174.733 174.900 -0.095 0.000 1.033 2295 G CA 0.413 45.452 45.100 -0.100 0.000 0.620 2295 G HN 0.456 nan 8.290 nan 0.000 0.517 2296 E N 1.568 121.715 120.200 -0.089 0.000 2.200 2296 E HA 0.378 4.749 4.350 0.034 0.000 0.283 2296 E C 0.075 176.593 176.600 -0.136 0.000 1.015 2296 E CA -0.502 55.844 56.400 -0.091 0.000 0.819 2296 E CB 0.424 30.099 29.700 -0.041 0.000 1.081 2296 E HN 0.370 nan 8.360 nan 0.000 0.397 2297 K N 4.139 124.449 120.400 -0.150 0.000 2.412 2297 K HA 0.076 4.417 4.320 0.034 0.000 0.281 2297 K C 1.148 177.633 176.600 -0.191 0.000 1.027 2297 K CA 0.197 56.409 56.287 -0.125 0.000 0.989 2297 K CB 0.525 32.888 32.500 -0.228 0.000 0.935 2297 K HN 0.534 nan 8.250 nan 0.000 0.475 2298 I N -1.543 118.894 120.570 -0.221 0.000 4.187 2298 I HA 0.335 4.525 4.170 0.034 0.000 0.326 2298 I C 0.551 176.559 176.117 -0.182 0.000 1.302 2298 I CA -0.343 60.566 61.300 -0.651 0.000 1.196 2298 I CB 1.071 38.374 38.000 -1.161 0.000 1.095 2298 I HN 0.564 nan 8.210 nan 0.000 0.411 2299 G N 1.371 110.258 108.800 0.145 0.000 2.384 2299 G HA2 0.189 4.170 3.960 0.034 0.000 0.300 2299 G HA3 0.189 4.170 3.960 0.034 0.000 0.300 2299 G C -2.096 172.787 174.900 -0.029 0.000 1.582 2299 G CA -0.686 44.483 45.100 0.114 0.000 0.875 2299 G HN 0.204 nan 8.290 nan 0.000 0.628 2300 Q N 0.402 119.898 119.800 -0.507 0.000 2.303 2300 Q HA 0.553 4.914 4.340 0.034 0.000 0.257 2300 Q C 0.461 176.291 176.000 -0.282 0.000 0.941 2300 Q CA 0.560 55.882 55.803 -0.801 0.000 0.931 2300 Q CB 1.095 29.011 28.738 -1.369 0.000 1.215 2300 Q HN 2.385 nan 8.270 nan 0.000 0.437 2301 G N 3.019 111.790 108.800 -0.049 0.000 2.722 2301 G HA2 -0.255 3.726 3.960 0.034 0.000 0.686 2301 G HA3 -0.255 3.726 3.960 0.034 0.000 0.686 2301 G C 0.016 174.937 174.900 0.035 0.000 1.282 2301 G CA -0.024 45.112 45.100 0.061 0.000 0.817 2301 G HN 0.799 nan 8.290 nan 0.000 0.605 2302 K N 1.020 121.432 120.400 0.020 0.000 2.074 2302 K HA -0.054 4.287 4.320 0.034 0.000 0.209 2302 K C 2.980 179.466 176.600 -0.190 0.000 1.048 2302 K CA 2.549 58.695 56.287 -0.235 0.000 0.926 2302 K CB -0.350 32.105 32.500 -0.076 0.000 0.713 2302 K HN 1.184 nan 8.250 nan 0.000 0.444 2303 A N 1.272 124.038 122.820 -0.089 0.000 1.892 2303 A HA -0.259 4.081 4.320 0.034 0.000 0.218 2303 A C 1.796 179.345 177.584 -0.058 0.000 1.188 2303 A CA 2.159 54.160 52.037 -0.059 0.000 0.631 2303 A CB -0.869 18.109 19.000 -0.036 0.000 0.822 2303 A HN 0.559 nan 8.150 nan 0.000 0.447 2304 N N -0.501 118.159 118.700 -0.067 0.000 2.216 2304 N HA 0.014 4.774 4.740 0.034 0.000 0.183 2304 N C 2.011 177.518 175.510 -0.005 0.000 1.017 2304 N CA 0.774 53.806 53.050 -0.029 0.000 0.861 2304 N CB -0.203 38.259 38.487 -0.042 0.000 0.986 2304 N HN 0.500 nan 8.380 nan 0.000 0.428 2305 A N 0.858 123.613 122.820 -0.109 0.000 1.902 2305 A HA -0.148 4.192 4.320 0.034 0.000 0.217 2305 A C 2.280 179.853 177.584 -0.019 0.000 1.181 2305 A CA 1.746 53.711 52.037 -0.121 0.000 0.623 2305 A CB -1.028 17.664 19.000 -0.513 0.000 0.818 2305 A HN 0.208 nan 8.150 nan 0.000 0.443 2306 T N 0.513 115.020 114.554 -0.077 0.000 2.684 2306 T HA -0.088 4.283 4.350 0.034 0.000 0.267 2306 T C 2.230 176.913 174.700 -0.028 0.000 1.036 2306 T CA 1.811 63.901 62.100 -0.017 0.000 1.148 2306 T CB -0.576 68.288 68.868 -0.008 0.000 0.863 2306 T HN 0.628 nan 8.240 nan 0.000 0.436 2307 A N 0.312 123.125 122.820 -0.011 0.000 1.940 2307 A HA -0.143 4.198 4.320 0.034 0.000 0.219 2307 A C 2.058 179.627 177.584 -0.025 0.000 1.176 2307 A CA 1.686 53.707 52.037 -0.026 0.000 0.631 2307 A CB -1.171 17.834 19.000 0.008 0.000 0.814 2307 A HN 0.715 nan 8.150 nan 0.000 0.446 2308 W N 0.436 121.667 121.300 -0.115 0.000 2.381 2308 W HA -0.112 4.569 4.660 0.034 0.000 0.301 2308 W C 1.823 178.249 176.519 -0.155 0.000 1.205 2308 W CA 1.820 59.107 57.345 -0.096 0.000 1.285 2308 W CB -0.255 29.181 29.460 -0.040 0.000 1.133 2308 W HN 0.255 nan 8.180 nan 0.000 0.521 2309 L N 0.528 121.738 121.223 -0.021 0.000 2.046 2309 L HA -0.221 4.139 4.340 0.034 0.000 0.208 2309 L C 2.566 179.026 176.870 -0.684 0.000 1.077 2309 L CA 1.598 56.279 54.840 -0.266 0.000 0.747 2309 L CB -0.923 41.118 42.059 -0.031 0.000 0.896 2309 L HN -0.092 nan 8.230 nan 0.000 0.432 2310 K N -0.083 119.808 120.400 -0.848 0.000 2.103 2310 K HA -0.247 4.094 4.320 0.034 0.000 0.207 2310 K C 1.579 177.869 176.600 -0.517 0.000 1.048 2310 K CA 1.872 57.600 56.287 -0.933 0.000 0.930 2310 K CB -0.006 32.181 32.500 -0.523 0.000 0.716 2310 K HN 0.185 nan 8.250 nan 0.000 0.444 2311 D N -0.240 119.890 120.400 -0.449 0.000 2.249 2311 D HA -0.028 4.633 4.640 0.034 0.000 0.205 2311 D C -0.428 175.599 176.300 -0.456 0.000 0.962 2311 D CA 0.667 54.438 54.000 -0.381 0.000 0.860 2311 D CB 0.203 40.800 40.800 -0.337 0.000 0.955 2311 D HN 0.099 nan 8.370 nan 0.000 0.505 2312 N N 0.003 118.319 118.700 -0.640 0.000 2.976 2312 N HA 0.211 4.972 4.740 0.034 0.000 0.255 2312 N C -2.162 173.121 175.510 -0.378 0.000 1.312 2312 N CA -1.134 51.556 53.050 -0.600 0.000 0.897 2312 N CB 1.778 39.626 38.487 -1.066 0.000 1.184 2312 N HN 0.009 nan 8.380 nan 0.000 0.497 2313 P HA -0.118 nan 4.420 nan 0.000 0.221 2313 P C 0.902 178.173 177.300 -0.048 0.000 1.150 2313 P CA 1.059 64.100 63.100 -0.099 0.000 0.800 2313 P CB 0.461 32.123 31.700 -0.063 0.000 0.787 2314 E N -0.513 119.644 120.200 -0.072 0.000 2.072 2314 E HA -0.104 4.267 4.350 0.034 0.000 0.191 2314 E C 1.824 178.418 176.600 -0.009 0.000 0.985 2314 E CA 1.481 57.863 56.400 -0.029 0.000 0.801 2314 E CB -1.764 27.920 29.700 -0.026 0.000 0.750 2314 E HN 0.252 nan 8.360 nan 0.000 0.452 2315 T N 1.707 116.235 114.554 -0.044 0.000 2.821 2315 T HA -0.016 4.355 4.350 0.034 0.000 0.267 2315 T C 2.049 176.725 174.700 -0.039 0.000 1.046 2315 T CA 1.375 63.466 62.100 -0.015 0.000 1.139 2315 T CB -0.244 68.620 68.868 -0.006 0.000 0.871 2315 T HN 0.315 nan 8.240 nan 0.000 0.454 2316 A N 2.203 125.007 122.820 -0.026 0.000 1.883 2316 A HA -0.153 4.187 4.320 0.034 0.000 0.217 2316 A C 2.302 179.951 177.584 0.109 0.000 1.186 2316 A CA 1.315 53.402 52.037 0.084 0.000 0.624 2316 A CB -0.351 18.789 19.000 0.233 0.000 0.822 2316 A HN 0.201 nan 8.150 nan 0.000 0.444 2317 K N -0.149 120.303 120.400 0.086 0.000 2.063 2317 K HA -0.193 4.148 4.320 0.034 0.000 0.208 2317 K C 1.919 178.558 176.600 0.065 0.000 1.048 2317 K CA 1.681 58.012 56.287 0.074 0.000 0.928 2317 K CB -0.574 31.953 32.500 0.044 0.000 0.713 2317 K HN 0.799 nan 8.250 nan 0.000 0.442 2318 E N 0.627 120.862 120.200 0.058 0.000 2.058 2318 E HA -0.160 4.211 4.350 0.034 0.000 0.194 2318 E C 2.109 178.756 176.600 0.078 0.000 0.997 2318 E CA 1.075 57.520 56.400 0.075 0.000 0.801 2318 E CB -0.050 29.712 29.700 0.105 0.000 0.746 2318 E HN 0.236 nan 8.360 nan 0.000 0.450 2319 I N 0.939 121.533 120.570 0.040 0.000 2.226 2319 I HA -0.238 3.952 4.170 0.034 0.000 0.245 2319 I C 2.728 178.875 176.117 0.051 0.000 1.100 2319 I CA 1.260 62.580 61.300 0.033 0.000 1.374 2319 I CB -0.389 37.575 38.000 -0.060 0.000 1.057 2319 I HN 0.259 nan 8.210 nan 0.000 0.413 2320 E N 1.584 121.821 120.200 0.061 0.000 2.077 2320 E HA -0.308 4.063 4.350 0.034 0.000 0.193 2320 E C 2.224 178.861 176.600 0.062 0.000 0.989 2320 E CA 1.482 57.923 56.400 0.068 0.000 0.800 2320 E CB 0.014 29.795 29.700 0.135 0.000 0.746 2320 E HN 0.331 nan 8.360 nan 0.000 0.452 2321 K N 0.682 121.120 120.400 0.063 0.000 2.063 2321 K HA -0.203 4.138 4.320 0.034 0.000 0.208 2321 K C 2.100 178.731 176.600 0.052 0.000 1.048 2321 K CA 1.699 58.018 56.287 0.054 0.000 0.928 2321 K CB 0.064 32.596 32.500 0.052 0.000 0.713 2321 K HN -0.045 nan 8.250 nan 0.000 0.442 2322 K N -0.052 120.385 120.400 0.062 0.000 2.057 2322 K HA -0.068 4.273 4.320 0.034 0.000 0.206 2322 K C 1.949 178.580 176.600 0.053 0.000 1.050 2322 K CA 1.181 57.506 56.287 0.063 0.000 0.935 2322 K CB 0.054 32.605 32.500 0.086 0.000 0.715 2322 K HN -0.037 nan 8.250 nan 0.000 0.439 2323 V N 1.308 121.250 119.914 0.047 0.000 2.407 2323 V HA -0.260 3.880 4.120 0.034 0.000 0.248 2323 V C 2.176 178.287 176.094 0.028 0.000 1.055 2323 V CA 1.712 64.031 62.300 0.033 0.000 1.049 2323 V CB -0.423 31.408 31.823 0.014 0.000 0.662 2323 V HN 0.269 nan 8.190 nan 0.000 0.455 2324 R N -0.280 120.239 120.500 0.031 0.000 2.066 2324 R HA -0.143 4.218 4.340 0.034 0.000 0.232 2324 R C 2.351 178.669 176.300 0.029 0.000 1.131 2324 R CA 1.595 57.712 56.100 0.029 0.000 0.955 2324 R CB -0.293 30.026 30.300 0.032 0.000 0.851 2324 R HN 0.596 nan 8.270 nan 0.000 0.432 2325 E N 0.592 120.812 120.200 0.033 0.000 2.085 2325 E HA -0.207 4.164 4.350 0.034 0.000 0.194 2325 E C 1.973 178.592 176.600 0.031 0.000 0.994 2325 E CA 1.138 57.557 56.400 0.032 0.000 0.801 2325 E CB -0.073 29.648 29.700 0.035 0.000 0.743 2325 E HN 0.286 nan 8.360 nan 0.000 0.453 2326 L N -0.015 121.228 121.223 0.034 0.000 2.156 2326 L HA -0.106 4.255 4.340 0.034 0.000 0.208 2326 L C 2.023 178.911 176.870 0.030 0.000 1.095 2326 L CA 0.766 55.626 54.840 0.033 0.000 0.770 2326 L CB 0.074 42.155 42.059 0.036 0.000 0.914 2326 L HN 0.146 nan 8.230 nan 0.000 0.439 2327 L N -1.381 119.859 121.223 0.028 0.000 2.672 2327 L HA 0.188 4.549 4.340 0.034 0.000 0.236 2327 L C 0.405 177.291 176.870 0.026 0.000 1.092 2327 L CA -0.269 54.587 54.840 0.027 0.000 0.887 2327 L CB 0.474 42.547 42.059 0.023 0.000 1.168 2327 L HN 0.050 nan 8.230 nan 0.000 0.502 2328 L N 0.617 121.855 121.223 0.024 0.000 2.360 2328 L HA 0.094 4.455 4.340 0.034 0.000 0.276 2328 L C 1.394 178.279 176.870 0.026 0.000 1.121 2328 L CA -0.059 54.795 54.840 0.022 0.000 0.845 2328 L CB 1.464 43.535 42.059 0.020 0.000 1.143 2328 L HN 0.167 nan 8.230 nan 0.000 0.452 2329 S N 0.808 116.524 115.700 0.027 0.000 2.503 2329 S HA 0.038 4.529 4.470 0.034 0.000 0.217 2329 S C 0.645 175.266 174.600 0.034 0.000 0.999 2329 S CA -0.098 58.123 58.200 0.034 0.000 0.914 2329 S CB -0.014 63.211 63.200 0.041 0.000 0.782 2329 S HN 0.750 nan 8.310 nan 0.000 0.520 2330 N N 2.105 120.819 118.700 0.024 0.000 2.672 2330 N HA 0.411 5.172 4.740 0.034 0.000 0.295 2330 N C -3.244 172.276 175.510 0.016 0.000 1.924 2330 N CA -1.062 52.002 53.050 0.023 0.000 0.851 2330 N CB 1.266 39.761 38.487 0.014 0.000 1.281 2330 N HN 0.275 nan 8.380 nan 0.000 0.494 2331 P HA 0.166 nan 4.420 nan 0.000 0.275 2331 P C 0.377 177.685 177.300 0.013 0.000 1.228 2331 P CA -0.239 62.870 63.100 0.015 0.000 0.786 2331 P CB 1.122 32.833 31.700 0.018 0.000 0.927 2332 N N 0.330 119.035 118.700 0.010 0.000 2.005 2332 N HA -0.133 4.628 4.740 0.034 0.000 0.199 2332 N C 0.598 176.114 175.510 0.009 0.000 1.054 2332 N CA 1.628 54.682 53.050 0.008 0.000 0.864 2332 N CB -0.041 38.448 38.487 0.005 0.000 1.063 2332 N HN 0.644 nan 8.380 nan 0.000 0.428 3002 I N 1.520 122.089 120.570 -0.000 0.000 2.406 3002 I HA -0.050 4.140 4.170 0.034 0.000 0.249 3002 I C 1.924 178.041 176.117 -0.001 0.000 1.122 3002 I CA 1.663 62.963 61.300 -0.000 0.000 1.431 3002 I CB -0.114 37.886 38.000 -0.001 0.000 1.087 3002 I HN 0.482 nan 8.210 nan 0.000 0.424 3003 D N 0.454 120.853 120.400 -0.002 0.000 2.354 3003 D HA -0.092 4.569 4.640 0.034 0.000 0.209 3003 D C 1.579 177.878 176.300 -0.002 0.000 1.015 3003 D CA 0.539 54.537 54.000 -0.003 0.000 0.867 3003 D CB -0.196 40.602 40.800 -0.004 0.000 0.933 3003 D HN 0.354 nan 8.370 nan 0.000 0.520 3004 E N -0.058 120.142 120.200 -0.001 0.000 2.299 3004 E HA 0.030 4.401 4.350 0.034 0.000 0.193 3004 E C 1.474 178.074 176.600 0.000 0.000 0.998 3004 E CA 0.140 56.539 56.400 -0.001 0.000 0.851 3004 E CB 0.127 29.826 29.700 -0.001 0.000 0.795 3004 E HN 0.148 nan 8.360 nan 0.000 0.492 3005 N N 0.881 119.581 118.700 0.001 0.000 2.270 3005 N HA -0.078 4.683 4.740 0.034 0.000 0.181 3005 N C 1.372 176.883 175.510 0.001 0.000 1.016 3005 N CA 0.808 53.859 53.050 0.001 0.000 0.870 3005 N CB 0.088 38.576 38.487 0.002 0.000 0.979 3005 N HN 0.110 nan 8.380 nan 0.000 0.431 3006 K N 1.076 121.476 120.400 0.000 0.000 2.002 3006 K HA -0.093 4.248 4.320 0.034 0.000 0.209 3006 K C 2.029 178.629 176.600 0.000 0.000 1.048 3006 K CA 1.158 57.445 56.287 -0.000 0.000 0.930 3006 K CB -0.090 32.409 32.500 -0.002 0.000 0.714 3006 K HN 0.257 nan 8.250 nan 0.000 0.438 3007 Q N 0.595 120.395 119.800 -0.000 0.000 2.119 3007 Q HA -0.156 4.205 4.340 0.034 0.000 0.201 3007 Q C 2.163 178.164 176.000 0.002 0.000 0.972 3007 Q CA 1.157 56.961 55.803 0.000 0.000 0.847 3007 Q CB 0.003 28.741 28.738 -0.001 0.000 0.903 3007 Q HN 0.208 nan 8.270 nan 0.000 0.433 3008 K N 0.778 121.179 120.400 0.002 0.000 2.009 3008 K HA -0.165 4.175 4.320 0.034 0.000 0.210 3008 K C 1.966 178.568 176.600 0.003 0.000 1.049 3008 K CA 1.437 57.725 56.287 0.002 0.000 0.929 3008 K CB -0.161 32.341 32.500 0.002 0.000 0.714 3008 K HN 0.153 nan 8.250 nan 0.000 0.440 3009 A N 1.365 124.188 122.820 0.003 0.000 1.969 3009 A HA -0.102 4.239 4.320 0.034 0.000 0.218 3009 A C 2.065 179.652 177.584 0.005 0.000 1.169 3009 A CA 1.027 53.067 52.037 0.004 0.000 0.635 3009 A CB -0.453 18.549 19.000 0.004 0.000 0.810 3009 A HN 0.394 nan 8.150 nan 0.000 0.445 3010 L N -0.114 121.112 121.223 0.005 0.000 1.994 3010 L HA -0.043 4.317 4.340 0.034 0.000 0.208 3010 L C 2.721 179.596 176.870 0.008 0.000 1.071 3010 L CA 2.267 57.110 54.840 0.006 0.000 0.745 3010 L CB -0.865 41.197 42.059 0.004 0.000 0.892 3010 L HN 0.323 nan 8.230 nan 0.000 0.431 3011 A N -0.464 122.361 122.820 0.007 0.000 1.917 3011 A HA -0.192 4.149 4.320 0.034 0.000 0.219 3011 A C 2.435 180.024 177.584 0.009 0.000 1.182 3011 A CA 2.167 54.208 52.037 0.008 0.000 0.633 3011 A CB -1.276 17.727 19.000 0.005 0.000 0.819 3011 A HN 0.620 nan 8.150 nan 0.000 0.448 3012 A N -0.266 122.559 122.820 0.008 0.000 1.877 3012 A HA 0.168 4.508 4.320 0.034 0.000 0.216 3012 A C 2.537 180.128 177.584 0.011 0.000 1.186 3012 A CA 2.178 54.220 52.037 0.007 0.000 0.620 3012 A CB -1.085 17.918 19.000 0.005 0.000 0.822 3012 A HN 1.104 nan 8.150 nan 0.000 0.443 3013 A N -0.778 122.051 122.820 0.014 0.000 1.902 3013 A HA 0.003 4.343 4.320 0.034 0.000 0.217 3013 A C 2.044 179.647 177.584 0.031 0.000 1.181 3013 A CA 1.689 53.739 52.037 0.022 0.000 0.623 3013 A CB -0.559 18.454 19.000 0.020 0.000 0.818 3013 A HN 0.390 nan 8.150 nan 0.000 0.443 3014 L N -0.063 121.177 121.223 0.027 0.000 2.017 3014 L HA -0.089 4.272 4.340 0.034 0.000 0.208 3014 L C 2.769 179.660 176.870 0.034 0.000 1.073 3014 L CA 2.036 56.896 54.840 0.033 0.000 0.745 3014 L CB -1.265 40.808 42.059 0.024 0.000 0.894 3014 L HN 0.399 nan 8.230 nan 0.000 0.432 3015 G N -1.750 107.063 108.800 0.021 0.000 2.442 3015 G HA2 -0.357 3.624 3.960 0.034 0.000 0.219 3015 G HA3 -0.357 3.624 3.960 0.034 0.000 0.219 3015 G C 1.575 176.481 174.900 0.010 0.000 1.141 3015 G CA 0.944 46.053 45.100 0.015 0.000 0.763 3015 G HN 0.392 nan 8.290 nan 0.000 0.554 3016 Q N 0.306 120.112 119.800 0.010 0.000 2.050 3016 Q HA 0.014 4.374 4.340 0.034 0.000 0.202 3016 Q C 2.439 178.438 176.000 -0.002 0.000 0.980 3016 Q CA 1.234 57.034 55.803 -0.005 0.000 0.840 3016 Q CB -0.367 28.371 28.738 0.001 0.000 0.898 3016 Q HN 0.551 nan 8.270 nan 0.000 0.424 3017 I N 0.456 121.065 120.570 0.064 0.000 2.208 3017 I HA -0.280 3.910 4.170 0.034 0.000 0.245 3017 I C 2.154 178.369 176.117 0.163 0.000 1.097 3017 I CA 1.543 62.949 61.300 0.176 0.000 1.363 3017 I CB -0.301 37.816 38.000 0.195 0.000 1.051 3017 I HN 0.315 nan 8.210 nan 0.000 0.413 3018 E N 0.505 120.759 120.200 0.089 0.000 2.106 3018 E HA -0.240 4.131 4.350 0.034 0.000 0.192 3018 E C 2.137 178.750 176.600 0.023 0.000 0.984 3018 E CA 0.868 57.311 56.400 0.072 0.000 0.806 3018 E CB -0.058 29.671 29.700 0.049 0.000 0.750 3018 E HN 0.392 nan 8.360 nan 0.000 0.458 3019 K N 0.932 121.321 120.400 -0.018 0.000 2.057 3019 K HA -0.172 4.169 4.320 0.034 0.000 0.206 3019 K C 2.166 178.690 176.600 -0.126 0.000 1.050 3019 K CA 1.173 57.427 56.287 -0.055 0.000 0.935 3019 K CB 0.121 32.589 32.500 -0.054 0.000 0.715 3019 K HN 0.061 nan 8.250 nan 0.000 0.439 3020 Q N -1.156 118.498 119.800 -0.243 0.000 2.083 3020 Q HA -0.077 4.284 4.340 0.034 0.000 0.198 3020 Q C 0.852 176.483 176.000 -0.614 0.000 0.969 3020 Q CA 1.269 56.739 55.803 -0.555 0.000 0.838 3020 Q CB 0.240 28.394 28.738 -0.975 0.000 0.900 3020 Q HN 0.249 nan 8.270 nan 0.000 0.436 3021 F N -1.026 118.929 119.950 0.009 0.000 2.688 3021 F HA 0.390 4.938 4.527 0.035 0.000 0.310 3021 F C 0.717 176.525 175.800 0.014 0.000 1.098 3021 F CA 0.282 58.289 58.000 0.012 0.000 1.228 3021 F CB 1.120 40.128 39.000 0.013 0.000 1.042 3021 F HN 0.021 nan 8.300 nan 0.000 0.557 3022 G N 0.366 109.239 108.800 0.122 0.000 2.612 3022 G HA2 -0.161 3.820 3.960 0.034 0.000 0.686 3022 G HA3 -0.161 3.820 3.960 0.034 0.000 0.686 3022 G C 0.558 175.506 174.900 0.078 0.000 1.274 3022 G CA -0.755 44.395 45.100 0.085 0.000 0.849 3022 G HN -0.102 nan 8.290 nan 0.000 0.595 3023 K N 0.221 120.654 120.400 0.054 0.000 1.974 3023 K HA -0.154 4.187 4.320 0.034 0.000 0.231 3023 K C 2.437 179.067 176.600 0.051 0.000 1.035 3023 K CA 2.171 58.484 56.287 0.045 0.000 1.044 3023 K CB -0.994 31.527 32.500 0.035 0.000 0.738 3023 K HN 1.224 nan 8.250 nan 0.000 0.447 3024 G N 1.088 109.917 108.800 0.049 0.000 3.332 3024 G HA2 -0.007 3.974 3.960 0.034 0.000 0.242 3024 G HA3 -0.007 3.974 3.960 0.034 0.000 0.242 3024 G C 1.163 176.093 174.900 0.050 0.000 1.276 3024 G CA 0.560 45.687 45.100 0.045 0.000 0.988 3024 G HN 0.388 nan 8.290 nan 0.000 0.517 3025 S N -0.548 115.193 115.700 0.068 0.000 2.453 3025 S HA 0.161 4.652 4.470 0.034 0.000 0.231 3025 S C 0.678 175.304 174.600 0.042 0.000 1.005 3025 S CA 0.149 58.390 58.200 0.068 0.000 0.949 3025 S CB 0.275 63.553 63.200 0.131 0.000 0.774 3025 S HN 0.370 nan 8.310 nan 0.000 0.510 3026 I N 1.122 121.721 120.570 0.047 0.000 2.692 3026 I HA 0.590 4.781 4.170 0.034 0.000 0.293 3026 I C -1.338 174.797 176.117 0.030 0.000 1.200 3026 I CA -1.220 60.099 61.300 0.032 0.000 1.036 3026 I CB 1.953 39.975 38.000 0.036 0.000 1.258 3026 I HN 0.390 nan 8.210 nan 0.000 0.421 3027 M N 4.136 123.750 119.600 0.022 0.000 2.880 3027 M HA 0.583 5.083 4.480 0.034 0.000 0.269 3027 M C -1.276 175.032 176.300 0.013 0.000 1.248 3027 M CA -1.082 54.229 55.300 0.018 0.000 0.821 3027 M CB 1.474 34.084 32.600 0.017 0.000 1.650 3027 M HN 0.318 nan 8.290 nan 0.000 0.479 3028 R N 1.142 121.647 120.500 0.008 0.000 2.489 3028 R HA 0.258 4.618 4.340 0.034 0.000 0.287 3028 R C 0.971 177.269 176.300 -0.003 0.000 1.053 3028 R CA -0.085 56.016 56.100 0.002 0.000 1.036 3028 R CB 0.234 30.533 30.300 -0.001 0.000 0.966 3028 R HN 0.692 nan 8.270 nan 0.000 0.432 3029 L N 2.354 123.570 121.223 -0.012 0.000 2.012 3029 L HA -0.181 4.180 4.340 0.034 0.000 0.210 3029 L C 1.925 178.782 176.870 -0.021 0.000 1.073 3029 L CA 2.134 56.959 54.840 -0.024 0.000 0.748 3029 L CB -0.553 41.476 42.059 -0.049 0.000 0.891 3029 L HN 1.007 nan 8.230 nan 0.000 0.431 3030 G N -0.167 108.621 108.800 -0.021 0.000 2.485 3030 G HA2 -0.275 3.705 3.960 0.034 0.000 0.221 3030 G HA3 -0.275 3.705 3.960 0.034 0.000 0.221 3030 G C 1.123 176.017 174.900 -0.010 0.000 1.115 3030 G CA 0.991 46.080 45.100 -0.018 0.000 0.751 3030 G HN 0.723 nan 8.290 nan 0.000 0.567 3031 E N -0.218 119.978 120.200 -0.006 0.000 2.501 3031 E HA 0.111 4.482 4.350 0.034 0.000 0.201 3031 E C -0.472 176.129 176.600 0.002 0.000 1.016 3031 E CA -0.421 55.978 56.400 -0.002 0.000 0.920 3031 E CB 0.347 30.047 29.700 -0.000 0.000 1.023 3031 E HN 0.137 nan 8.360 nan 0.000 0.474 3032 D N 1.809 122.210 120.400 0.000 0.000 2.411 3032 D HA 0.079 4.739 4.640 0.034 0.000 0.225 3032 D C 0.763 177.066 176.300 0.006 0.000 1.156 3032 D CA -0.308 53.696 54.000 0.005 0.000 0.874 3032 D CB 0.717 41.520 40.800 0.005 0.000 1.034 3032 D HN -0.094 nan 8.370 nan 0.000 0.502 3033 R N 1.481 121.986 120.500 0.008 0.000 2.115 3033 R HA -0.087 4.273 4.340 0.034 0.000 0.230 3033 R C 1.875 178.183 176.300 0.013 0.000 1.111 3033 R CA 0.729 56.834 56.100 0.009 0.000 0.976 3033 R CB -0.819 29.486 30.300 0.009 0.000 0.870 3033 R HN 0.471 nan 8.270 nan 0.000 0.445 3034 S N -0.664 115.047 115.700 0.018 0.000 2.603 3034 S HA -0.069 4.422 4.470 0.034 0.000 0.229 3034 S C 1.697 176.314 174.600 0.028 0.000 0.972 3034 S CA 0.626 58.841 58.200 0.025 0.000 0.935 3034 S CB -0.006 63.215 63.200 0.034 0.000 0.769 3034 S HN 0.117 nan 8.310 nan 0.000 0.536 3035 M N 1.536 121.147 119.600 0.018 0.000 2.465 3035 M HA 0.314 4.815 4.480 0.034 0.000 0.249 3035 M C -0.714 175.591 176.300 0.010 0.000 1.130 3035 M CA 0.080 55.388 55.300 0.014 0.000 1.067 3035 M CB 0.203 32.803 32.600 0.000 0.000 1.394 3035 M HN 0.022 nan 8.290 nan 0.000 0.483 3036 D N 0.713 121.118 120.400 0.009 0.000 2.443 3036 D HA 0.071 4.732 4.640 0.034 0.000 0.239 3036 D C -0.439 175.867 176.300 0.009 0.000 1.136 3036 D CA 0.215 54.220 54.000 0.007 0.000 0.879 3036 D CB 0.987 41.791 40.800 0.006 0.000 1.195 3036 D HN -0.110 nan 8.370 nan 0.000 0.443 3037 V N 2.646 122.564 119.914 0.007 0.000 2.432 3037 V HA 0.110 4.251 4.120 0.034 0.000 0.271 3037 V C 0.587 176.682 176.094 0.003 0.000 1.046 3037 V CA -0.139 62.164 62.300 0.005 0.000 0.945 3037 V CB 0.882 32.704 31.823 -0.001 0.000 0.992 3037 V HN 0.419 nan 8.190 nan 0.000 0.471 3038 E N 3.545 123.746 120.200 0.002 0.000 2.212 3038 E HA 0.622 4.993 4.350 0.034 0.000 0.268 3038 E C -0.581 176.016 176.600 -0.004 0.000 0.902 3038 E CA -0.486 55.914 56.400 -0.000 0.000 0.779 3038 E CB 2.122 31.823 29.700 0.001 0.000 1.172 3038 E HN 0.801 nan 8.360 nan 0.000 0.409 3039 T N 0.995 115.545 114.554 -0.006 0.000 2.930 3039 T HA 0.609 4.980 4.350 0.034 0.000 0.290 3039 T C -0.343 174.350 174.700 -0.012 0.000 1.052 3039 T CA -0.865 61.230 62.100 -0.009 0.000 1.017 3039 T CB 1.110 69.971 68.868 -0.011 0.000 1.137 3039 T HN 0.255 nan 8.240 nan 0.000 0.511 3040 I N 1.777 122.339 120.570 -0.015 0.000 2.569 3040 I HA 0.448 4.638 4.170 0.034 0.000 0.296 3040 I C 0.759 176.864 176.117 -0.020 0.000 1.028 3040 I CA -0.728 60.562 61.300 -0.018 0.000 1.082 3040 I CB 1.856 39.845 38.000 -0.019 0.000 1.264 3040 I HN 0.965 nan 8.210 nan 0.000 0.429 3041 S N 2.720 118.406 115.700 -0.024 0.000 2.573 3041 S HA 0.079 4.570 4.470 0.034 0.000 0.277 3041 S C 1.303 175.884 174.600 -0.033 0.000 1.346 3041 S CA 0.388 58.572 58.200 -0.026 0.000 1.034 3041 S CB 0.442 63.624 63.200 -0.030 0.000 0.879 3041 S HN 0.794 nan 8.310 nan 0.000 0.528 3042 T N 0.946 115.477 114.554 -0.039 0.000 3.081 3042 T HA 0.375 4.746 4.350 0.034 0.000 0.250 3042 T C 1.474 176.128 174.700 -0.076 0.000 1.100 3042 T CA 0.647 62.718 62.100 -0.048 0.000 1.038 3042 T CB -0.259 68.580 68.868 -0.048 0.000 0.962 3042 T HN 1.603 nan 8.240 nan 0.000 0.516 3043 G N 0.855 109.609 108.800 -0.076 0.000 2.241 3043 G HA2 -0.242 3.738 3.960 0.034 0.000 0.244 3043 G HA3 -0.242 3.738 3.960 0.034 0.000 0.244 3043 G C 0.220 175.046 174.900 -0.124 0.000 0.998 3043 G CA 0.206 45.252 45.100 -0.090 0.000 0.621 3043 G HN 1.089 nan 8.290 nan 0.000 0.519 3044 S N -0.101 115.477 115.700 -0.203 0.000 2.449 3044 S HA 0.634 5.125 4.470 0.034 0.000 0.310 3044 S C 1.174 175.692 174.600 -0.137 0.000 1.096 3044 S CA 0.081 58.097 58.200 -0.307 0.000 1.095 3044 S CB 1.552 64.342 63.200 -0.684 0.000 1.007 3044 S HN 1.028 nan 8.310 nan 0.000 0.474 3045 L N 5.741 126.895 121.223 -0.115 0.000 2.056 3045 L HA 0.044 4.405 4.340 0.034 0.000 0.207 3045 L C 2.521 179.363 176.870 -0.048 0.000 1.078 3045 L CA 2.677 57.474 54.840 -0.071 0.000 0.749 3045 L CB -1.000 40.964 42.059 -0.158 0.000 0.901 3045 L HN 0.898 nan 8.230 nan 0.000 0.433 3046 S N -1.198 114.480 115.700 -0.036 0.000 2.406 3046 S HA -0.165 4.326 4.470 0.034 0.000 0.228 3046 S C 2.097 176.729 174.600 0.053 0.000 1.020 3046 S CA 1.174 59.391 58.200 0.027 0.000 0.965 3046 S CB -0.919 62.327 63.200 0.078 0.000 0.798 3046 S HN 0.495 nan 8.310 nan 0.000 0.488 3047 L N 1.438 122.692 121.223 0.051 0.000 2.027 3047 L HA -0.112 4.249 4.340 0.034 0.000 0.206 3047 L C 1.979 178.858 176.870 0.015 0.000 1.074 3047 L CA 2.006 56.880 54.840 0.055 0.000 0.745 3047 L CB -0.664 41.422 42.059 0.045 0.000 0.898 3047 L HN 0.243 nan 8.230 nan 0.000 0.433 3048 D N 0.101 120.497 120.400 -0.007 0.000 2.149 3048 D HA -0.207 4.454 4.640 0.034 0.000 0.198 3048 D C 2.128 178.429 176.300 0.001 0.000 0.990 3048 D CA 1.340 55.336 54.000 -0.006 0.000 0.839 3048 D CB -0.086 40.710 40.800 -0.007 0.000 0.948 3048 D HN 0.377 nan 8.370 nan 0.000 0.460 3049 I N 0.761 121.335 120.570 0.007 0.000 2.286 3049 I HA -0.196 3.995 4.170 0.034 0.000 0.245 3049 I C 2.432 178.558 176.117 0.015 0.000 1.104 3049 I CA 0.879 62.186 61.300 0.012 0.000 1.397 3049 I CB -0.166 37.843 38.000 0.015 0.000 1.072 3049 I HN -0.081 nan 8.210 nan 0.000 0.417 3050 A N 0.768 123.600 122.820 0.021 0.000 1.940 3050 A HA -0.167 4.174 4.320 0.034 0.000 0.219 3050 A C 2.222 179.804 177.584 -0.003 0.000 1.176 3050 A CA 1.448 53.497 52.037 0.020 0.000 0.631 3050 A CB -0.915 18.106 19.000 0.035 0.000 0.814 3050 A HN 0.416 nan 8.150 nan 0.000 0.446 3051 L N -1.388 119.829 121.223 -0.010 0.000 2.549 3051 L HA 0.042 4.403 4.340 0.034 0.000 0.229 3051 L C 2.140 178.988 176.870 -0.036 0.000 1.158 3051 L CA 0.639 55.459 54.840 -0.032 0.000 0.842 3051 L CB -0.379 41.664 42.059 -0.027 0.000 0.952 3051 L HN 0.641 nan 8.230 nan 0.000 0.452 3052 G N -0.214 108.575 108.800 -0.018 0.000 2.609 3052 G HA2 -0.436 3.545 3.960 0.034 0.000 0.235 3052 G HA3 -0.436 3.545 3.960 0.034 0.000 0.235 3052 G C 1.060 175.955 174.900 -0.008 0.000 1.177 3052 G CA 0.519 45.612 45.100 -0.012 0.000 0.707 3052 G HN 0.469 nan 8.290 nan 0.000 0.513 3053 A N 0.260 123.070 122.820 -0.017 0.000 2.275 3053 A HA 0.586 4.927 4.320 0.034 0.000 0.212 3053 A C 2.472 180.052 177.584 -0.007 0.000 1.201 3053 A CA 1.831 53.861 52.037 -0.012 0.000 0.843 3053 A CB -0.370 18.618 19.000 -0.020 0.000 0.873 3053 A HN 2.584 nan 8.150 nan 0.000 0.492 3054 G N -2.836 105.960 108.800 -0.007 0.000 2.176 3054 G HA2 0.298 4.278 3.960 0.034 0.000 0.232 3054 G HA3 0.298 4.278 3.960 0.034 0.000 0.232 3054 G C 0.891 175.786 174.900 -0.008 0.000 0.986 3054 G CA 0.329 45.427 45.100 -0.004 0.000 0.643 3054 G HN 2.137 nan 8.290 nan 0.000 0.522 3055 G N -1.416 107.376 108.800 -0.013 0.000 2.333 3055 G HA2 0.505 4.486 3.960 0.034 0.000 0.288 3055 G HA3 0.505 4.486 3.960 0.034 0.000 0.288 3055 G C -0.867 174.022 174.900 -0.018 0.000 1.286 3055 G CA -0.461 44.630 45.100 -0.016 0.000 0.865 3055 G HN 0.872 nan 8.290 nan 0.000 0.506 3056 L N 2.061 123.273 121.223 -0.017 0.000 2.371 3056 L HA 0.437 4.798 4.340 0.034 0.000 0.272 3056 L C -1.823 175.039 176.870 -0.014 0.000 1.124 3056 L CA -1.670 53.161 54.840 -0.016 0.000 0.816 3056 L CB 1.518 43.568 42.059 -0.014 0.000 1.129 3056 L HN 0.309 nan 8.230 nan 0.000 0.448 3057 P HA 0.165 nan 4.420 nan 0.000 0.286 3057 P C -0.740 176.559 177.300 -0.002 0.000 1.269 3057 P CA -0.556 62.540 63.100 -0.007 0.000 0.787 3057 P CB 0.958 32.654 31.700 -0.007 0.000 0.920 3058 M N 1.965 121.564 119.600 -0.002 0.000 2.245 3058 M HA 0.209 4.710 4.480 0.034 0.000 0.344 3058 M C 1.584 177.889 176.300 0.009 0.000 1.170 3058 M CA 0.841 56.141 55.300 -0.001 0.000 1.135 3058 M CB -0.787 31.812 32.600 -0.001 0.000 1.574 3058 M HN 0.835 nan 8.290 nan 0.000 0.452 3059 G N 2.422 111.226 108.800 0.007 0.000 2.143 3059 G HA2 -0.206 3.775 3.960 0.034 0.000 0.248 3059 G HA3 -0.206 3.775 3.960 0.034 0.000 0.248 3059 G C 0.160 175.079 174.900 0.033 0.000 0.991 3059 G CA -0.030 45.081 45.100 0.018 0.000 0.689 3059 G HN 0.553 nan 8.290 nan 0.000 0.522 3060 R N -0.982 119.536 120.500 0.029 0.000 2.930 3060 R HA 0.763 5.123 4.340 0.034 0.000 0.257 3060 R C 0.098 176.429 176.300 0.051 0.000 1.107 3060 R CA -1.124 55.007 56.100 0.051 0.000 0.999 3060 R CB 0.820 31.146 30.300 0.043 0.000 1.209 3060 R HN 0.201 nan 8.270 nan 0.000 0.486 3061 I N 0.730 121.356 120.570 0.094 0.000 2.392 3061 I HA 0.392 4.583 4.170 0.034 0.000 0.295 3061 I C -0.266 175.921 176.117 0.117 0.000 0.985 3061 I CA -0.894 60.482 61.300 0.126 0.000 1.221 3061 I CB 1.829 39.964 38.000 0.225 0.000 1.366 3061 I HN -0.042 nan 8.210 nan 0.000 0.467 3062 V N 5.304 125.283 119.914 0.108 0.000 2.735 3062 V HA 0.381 4.521 4.120 0.034 0.000 0.310 3062 V C -0.442 175.741 176.094 0.148 0.000 1.061 3062 V CA -0.644 61.711 62.300 0.092 0.000 0.913 3062 V CB 2.140 33.986 31.823 0.037 0.000 1.005 3062 V HN 0.732 nan 8.190 nan 0.000 0.428 3063 E N 3.710 123.996 120.200 0.145 0.000 2.199 3063 E HA 0.674 5.045 4.350 0.034 0.000 0.269 3063 E C -1.618 175.068 176.600 0.144 0.000 0.899 3063 E CA -0.623 55.886 56.400 0.183 0.000 0.772 3063 E CB 1.809 31.623 29.700 0.189 0.000 1.155 3063 E HN 0.621 nan 8.360 nan 0.000 0.408 3064 I N 5.050 125.704 120.570 0.141 0.000 2.436 3064 I HA 0.360 4.551 4.170 0.034 0.000 0.289 3064 I C -1.038 175.165 176.117 0.144 0.000 1.010 3064 I CA -0.979 60.367 61.300 0.077 0.000 1.098 3064 I CB 1.054 39.087 38.000 0.054 0.000 1.266 3064 I HN 0.491 nan 8.210 nan 0.000 0.434 3065 Y N 3.880 124.209 120.300 0.048 0.000 2.581 3065 Y HA 0.994 5.564 4.550 0.034 0.000 0.345 3065 Y C -0.292 175.648 175.900 0.068 0.000 1.036 3065 Y CA -1.095 57.029 58.100 0.040 0.000 1.042 3065 Y CB 1.982 40.450 38.460 0.012 0.000 1.289 3065 Y HN 0.706 nan 8.280 nan 0.000 0.471 3066 G N 0.850 109.817 108.800 0.277 0.000 2.328 3066 G HA2 0.453 4.434 3.960 0.034 0.000 0.295 3066 G HA3 0.453 4.434 3.960 0.034 0.000 0.295 3066 G C -3.540 171.563 174.900 0.339 0.000 1.413 3066 G CA -1.309 43.925 45.100 0.225 0.000 0.817 3066 G HN 0.504 nan 8.290 nan 0.000 0.546 3067 P HA 0.285 nan 4.420 nan 0.000 0.272 3067 P C -0.285 177.105 177.300 0.151 0.000 1.254 3067 P CA -0.261 62.999 63.100 0.266 0.000 0.795 3067 P CB 0.232 31.986 31.700 0.091 0.000 1.022 3068 E N -0.702 119.247 120.200 -0.418 0.000 2.413 3068 E HA 0.207 4.578 4.350 0.034 0.000 0.263 3068 E C 0.099 176.628 176.600 -0.117 0.000 1.015 3068 E CA -0.144 55.988 56.400 -0.447 0.000 0.916 3068 E CB -0.602 28.622 29.700 -0.794 0.000 0.947 3068 E HN 0.270 nan 8.360 nan 0.000 0.440 3069 S N 0.646 116.332 115.700 -0.024 0.000 3.587 3069 S HA -0.223 4.268 4.470 0.034 0.000 0.337 3069 S C 0.951 175.591 174.600 0.068 0.000 1.119 3069 S CA 0.990 59.197 58.200 0.011 0.000 0.976 3069 S CB -1.797 61.381 63.200 -0.036 0.000 0.922 3069 S HN 0.730 nan 8.310 nan 0.000 0.503 3070 S N -0.230 115.523 115.700 0.089 0.000 2.528 3070 S HA 0.437 4.928 4.470 0.034 0.000 0.219 3070 S C 1.505 176.175 174.600 0.116 0.000 0.985 3070 S CA 0.763 59.020 58.200 0.095 0.000 0.914 3070 S CB 0.517 63.771 63.200 0.090 0.000 0.776 3070 S HN 1.984 nan 8.310 nan 0.000 0.526 3071 G N 1.304 110.187 108.800 0.138 0.000 2.145 3071 G HA2 -0.181 3.800 3.960 0.034 0.000 0.145 3071 G HA3 -0.181 3.800 3.960 0.034 0.000 0.145 3071 G C 0.580 175.580 174.900 0.167 0.000 1.017 3071 G CA 0.100 45.303 45.100 0.172 0.000 0.682 3071 G HN 0.441 nan 8.290 nan 0.000 0.504 3072 K N -0.191 120.297 120.400 0.147 0.000 1.985 3072 K HA -0.053 4.287 4.320 0.034 0.000 0.210 3072 K C 2.563 179.254 176.600 0.152 0.000 1.047 3072 K CA 1.920 58.289 56.287 0.137 0.000 0.932 3072 K CB -0.393 32.185 32.500 0.129 0.000 0.716 3072 K HN 0.270 nan 8.250 nan 0.000 0.439 3073 T N 0.995 115.651 114.554 0.170 0.000 2.652 3073 T HA -0.152 4.218 4.350 0.034 0.000 0.267 3073 T C 2.010 176.831 174.700 0.201 0.000 1.039 3073 T CA 1.939 64.168 62.100 0.215 0.000 1.153 3073 T CB -0.522 68.474 68.868 0.213 0.000 0.863 3073 T HN 0.283 nan 8.240 nan 0.000 0.428 3074 T N 2.646 117.319 114.554 0.199 0.000 2.624 3074 T HA -0.129 4.242 4.350 0.034 0.000 0.268 3074 T C 1.864 176.646 174.700 0.138 0.000 1.041 3074 T CA 1.195 63.413 62.100 0.196 0.000 1.159 3074 T CB -0.646 68.370 68.868 0.248 0.000 0.863 3074 T HN 0.198 nan 8.240 nan 0.000 0.434 3075 L N 0.339 121.647 121.223 0.142 0.000 1.989 3075 L HA -0.203 4.158 4.340 0.034 0.000 0.211 3075 L C 2.710 179.624 176.870 0.074 0.000 1.071 3075 L CA 1.847 56.746 54.840 0.099 0.000 0.749 3075 L CB -0.917 41.216 42.059 0.123 0.000 0.890 3075 L HN 0.332 nan 8.230 nan 0.000 0.431 3076 T N 0.467 115.084 114.554 0.106 0.000 2.665 3076 T HA -0.246 4.125 4.350 0.034 0.000 0.268 3076 T C 1.890 176.664 174.700 0.123 0.000 1.035 3076 T CA 1.752 63.921 62.100 0.115 0.000 1.151 3076 T CB -0.259 68.707 68.868 0.164 0.000 0.862 3076 T HN 0.280 nan 8.240 nan 0.000 0.438 3077 L N 0.682 121.979 121.223 0.124 0.000 2.141 3077 L HA -0.084 4.277 4.340 0.034 0.000 0.209 3077 L C 2.962 179.837 176.870 0.008 0.000 1.094 3077 L CA 0.944 55.820 54.840 0.059 0.000 0.763 3077 L CB -0.488 41.575 42.059 0.006 0.000 0.908 3077 L HN 0.230 nan 8.230 nan 0.000 0.437 3078 Q N -0.405 119.397 119.800 0.003 0.000 2.119 3078 Q HA -0.170 4.190 4.340 0.034 0.000 0.201 3078 Q C 2.438 178.419 176.000 -0.032 0.000 0.972 3078 Q CA 1.813 57.597 55.803 -0.031 0.000 0.847 3078 Q CB -0.526 28.186 28.738 -0.044 0.000 0.903 3078 Q HN 0.550 nan 8.270 nan 0.000 0.433 3079 V N -0.319 119.589 119.914 -0.011 0.000 2.358 3079 V HA -0.189 3.952 4.120 0.034 0.000 0.246 3079 V C 2.088 178.176 176.094 -0.011 0.000 1.047 3079 V CA 1.105 63.396 62.300 -0.015 0.000 1.035 3079 V CB -0.464 31.354 31.823 -0.010 0.000 0.658 3079 V HN 0.214 nan 8.190 nan 0.000 0.452 3080 I N 1.148 121.724 120.570 0.010 0.000 2.163 3080 I HA -0.227 3.964 4.170 0.034 0.000 0.243 3080 I C 2.955 179.062 176.117 -0.017 0.000 1.085 3080 I CA 1.928 63.234 61.300 0.010 0.000 1.347 3080 I CB -0.779 37.250 38.000 0.047 0.000 1.044 3080 I HN 0.442 nan 8.210 nan 0.000 0.408 3081 A N 0.643 123.444 122.820 -0.031 0.000 1.883 3081 A HA -0.225 4.116 4.320 0.034 0.000 0.217 3081 A C 2.534 180.084 177.584 -0.057 0.000 1.186 3081 A CA 2.093 54.100 52.037 -0.051 0.000 0.624 3081 A CB -0.971 17.988 19.000 -0.068 0.000 0.822 3081 A HN 0.460 nan 8.150 nan 0.000 0.444 3082 A N -0.313 122.472 122.820 -0.058 0.000 1.933 3082 A HA 0.156 4.497 4.320 0.034 0.000 0.218 3082 A C 2.500 180.054 177.584 -0.051 0.000 1.175 3082 A CA 2.148 54.146 52.037 -0.065 0.000 0.628 3082 A CB -0.979 17.982 19.000 -0.065 0.000 0.814 3082 A HN 1.074 nan 8.150 nan 0.000 0.444 3083 A N -0.752 122.045 122.820 -0.038 0.000 1.898 3083 A HA -0.198 4.143 4.320 0.034 0.000 0.216 3083 A C 2.127 179.693 177.584 -0.030 0.000 1.181 3083 A CA 1.598 53.617 52.037 -0.030 0.000 0.620 3083 A CB -0.572 18.415 19.000 -0.022 0.000 0.819 3083 A HN 0.640 nan 8.150 nan 0.000 0.442 3084 Q N -1.189 118.592 119.800 -0.031 0.000 2.124 3084 Q HA -0.174 4.187 4.340 0.034 0.000 0.202 3084 Q C 2.283 178.261 176.000 -0.036 0.000 0.977 3084 Q CA 1.494 57.279 55.803 -0.030 0.000 0.850 3084 Q CB -0.152 28.567 28.738 -0.031 0.000 0.901 3084 Q HN 0.563 nan 8.270 nan 0.000 0.429 3085 R N 1.103 121.576 120.500 -0.045 0.000 2.200 3085 R HA -0.127 4.233 4.340 0.034 0.000 0.234 3085 R C 0.791 177.063 176.300 -0.045 0.000 1.127 3085 R CA 1.128 57.197 56.100 -0.052 0.000 0.989 3085 R CB 0.195 30.454 30.300 -0.069 0.000 0.869 3085 R HN 0.265 nan 8.270 nan 0.000 0.459 3086 E N -1.618 118.558 120.200 -0.039 0.000 2.451 3086 E HA 0.174 4.545 4.350 0.034 0.000 0.194 3086 E C 0.407 176.991 176.600 -0.026 0.000 1.027 3086 E CA 0.337 56.717 56.400 -0.033 0.000 0.914 3086 E CB 0.948 30.629 29.700 -0.031 0.000 1.054 3086 E HN 0.476 nan 8.360 nan 0.000 0.461 3087 G N 2.184 110.969 108.800 -0.025 0.000 2.143 3087 G HA2 -0.309 3.672 3.960 0.034 0.000 0.249 3087 G HA3 -0.309 3.672 3.960 0.034 0.000 0.249 3087 G C 0.196 175.086 174.900 -0.017 0.000 0.981 3087 G CA 0.128 45.215 45.100 -0.020 0.000 0.665 3087 G HN 0.163 nan 8.290 nan 0.000 0.528 3088 K N 0.367 120.756 120.400 -0.018 0.000 2.126 3088 K HA 0.513 4.854 4.320 0.034 0.000 0.257 3088 K C 0.062 176.654 176.600 -0.014 0.000 1.007 3088 K CA 0.027 56.305 56.287 -0.016 0.000 0.928 3088 K CB 0.701 33.191 32.500 -0.017 0.000 1.013 3088 K HN 0.099 nan 8.250 nan 0.000 0.473 3089 T N 1.353 115.900 114.554 -0.011 0.000 2.794 3089 T HA 0.328 4.699 4.350 0.034 0.000 0.280 3089 T C -0.487 174.209 174.700 -0.007 0.000 0.987 3089 T CA -0.541 61.554 62.100 -0.008 0.000 0.993 3089 T CB 0.434 69.298 68.868 -0.007 0.000 0.939 3089 T HN 0.534 nan 8.240 nan 0.000 0.449 3090 C N 2.370 121.670 119.300 -0.000 0.000 2.707 3090 C HA 0.975 5.456 4.460 0.034 0.000 0.313 3090 C C 0.267 175.270 174.990 0.021 0.000 1.209 3090 C CA -0.903 58.119 59.018 0.008 0.000 1.635 3090 C CB 0.983 28.735 27.740 0.020 0.000 2.206 3090 C HN 1.039 nan 8.230 nan 0.000 0.485 3091 A N 1.225 124.057 122.820 0.020 0.000 2.435 3091 A HA 0.875 5.215 4.320 0.034 0.000 0.304 3091 A C -1.485 176.139 177.584 0.066 0.000 1.064 3091 A CA -0.268 51.789 52.037 0.034 0.000 0.727 3091 A CB 1.058 20.052 19.000 -0.010 0.000 1.284 3091 A HN 0.829 nan 8.150 nan 0.000 0.415 3092 F N 3.148 123.062 119.950 -0.060 0.000 2.499 3092 F HA 0.559 5.106 4.527 0.035 0.000 0.333 3092 F C -0.787 174.969 175.800 -0.074 0.000 1.138 3092 F CA -0.820 57.142 58.000 -0.064 0.000 0.945 3092 F CB 1.335 40.307 39.000 -0.048 0.000 1.181 3092 F HN 0.372 nan 8.300 nan 0.000 0.435 3093 I N 4.874 125.252 120.570 -0.319 0.000 2.282 3093 I HA 0.118 4.309 4.170 0.034 0.000 0.290 3093 I C -0.109 175.896 176.117 -0.186 0.000 1.090 3093 I CA -0.345 60.843 61.300 -0.187 0.000 1.231 3093 I CB 0.467 38.344 38.000 -0.205 0.000 1.434 3093 I HN 0.509 nan 8.210 nan 0.000 0.487 3094 D N 5.372 125.800 120.400 0.047 0.000 2.619 3094 D HA 0.321 4.981 4.640 0.034 0.000 0.224 3094 D C 1.258 177.496 176.300 -0.104 0.000 1.133 3094 D CA -0.037 54.029 54.000 0.111 0.000 1.017 3094 D CB 0.779 41.692 40.800 0.187 0.000 1.077 3094 D HN 0.591 nan 8.370 nan 0.000 0.503 3095 A N 2.411 125.201 122.820 -0.050 0.000 2.015 3095 A HA -0.106 4.234 4.320 0.034 0.000 0.219 3095 A C 1.920 179.630 177.584 0.210 0.000 1.163 3095 A CA 0.761 52.814 52.037 0.028 0.000 0.646 3095 A CB -0.208 18.820 19.000 0.046 0.000 0.806 3095 A HN 0.516 nan 8.150 nan 0.000 0.448 3096 E N -1.048 119.240 120.200 0.147 0.000 2.427 3096 E HA -0.076 4.295 4.350 0.034 0.000 0.196 3096 E C -0.543 176.241 176.600 0.305 0.000 1.028 3096 E CA 0.025 56.539 56.400 0.190 0.000 0.864 3096 E CB -0.155 29.576 29.700 0.052 0.000 0.813 3096 E HN 0.693 nan 8.360 nan 0.000 0.514 3097 H N -1.951 117.186 119.070 0.112 0.000 2.677 3097 H HA -0.205 4.371 4.556 0.034 0.000 0.321 3097 H C -0.101 175.279 175.328 0.086 0.000 1.171 3097 H CA 0.534 56.641 56.048 0.099 0.000 1.139 3097 H CB -1.316 28.502 29.762 0.094 0.000 1.515 3097 H HN 0.239 nan 8.280 nan 0.000 0.423 3098 A N 0.617 123.523 122.820 0.143 0.000 2.596 3098 A HA 0.248 4.588 4.320 0.034 0.000 0.276 3098 A C 0.212 177.827 177.584 0.050 0.000 0.962 3098 A CA -0.457 51.638 52.037 0.097 0.000 1.010 3098 A CB 0.666 19.722 19.000 0.093 0.000 1.220 3098 A HN 0.143 nan 8.150 nan 0.000 0.549 3099 L N 1.252 122.493 121.223 0.029 0.000 2.360 3099 L HA 0.461 4.821 4.340 0.034 0.000 0.276 3099 L C -0.523 176.319 176.870 -0.046 0.000 1.121 3099 L CA 0.117 54.923 54.840 -0.057 0.000 0.845 3099 L CB 0.685 42.632 42.059 -0.187 0.000 1.143 3099 L HN 0.228 nan 8.230 nan 0.000 0.452 3100 D N 7.353 127.736 120.400 -0.029 0.000 2.428 3100 D HA 0.299 4.960 4.640 0.034 0.000 0.221 3100 D C -1.779 174.526 176.300 0.008 0.000 1.123 3100 D CA -2.223 51.779 54.000 0.005 0.000 0.869 3100 D CB 1.458 42.274 40.800 0.027 0.000 1.032 3100 D HN 0.351 nan 8.370 nan 0.000 0.506 3101 P HA -0.164 nan 4.420 nan 0.000 0.215 3101 P C 1.685 178.975 177.300 -0.016 0.000 1.153 3101 P CA 0.627 63.701 63.100 -0.043 0.000 0.853 3101 P CB 0.531 32.208 31.700 -0.037 0.000 0.788 3102 I N -1.552 119.027 120.570 0.015 0.000 2.208 3102 I HA -0.252 3.938 4.170 0.034 0.000 0.245 3102 I C 2.680 178.831 176.117 0.056 0.000 1.097 3102 I CA 1.463 62.780 61.300 0.028 0.000 1.363 3102 I CB -1.203 36.819 38.000 0.038 0.000 1.051 3102 I HN -0.143 nan 8.210 nan 0.000 0.413 3103 Y N 1.114 121.390 120.300 -0.040 0.000 2.181 3103 Y HA -0.244 4.327 4.550 0.034 0.000 0.288 3103 Y C 2.468 178.342 175.900 -0.042 0.000 1.146 3103 Y CA 1.317 59.398 58.100 -0.033 0.000 1.164 3103 Y CB -0.624 37.816 38.460 -0.033 0.000 0.982 3103 Y HN 0.147 nan 8.280 nan 0.000 0.515 3104 A N 0.488 123.268 122.820 -0.067 0.000 1.908 3104 A HA -0.239 4.102 4.320 0.034 0.000 0.218 3104 A C 2.434 179.915 177.584 -0.171 0.000 1.181 3104 A CA 1.862 53.806 52.037 -0.155 0.000 0.627 3104 A CB -0.771 18.140 19.000 -0.148 0.000 0.818 3104 A HN 0.474 nan 8.150 nan 0.000 0.445 3105 R N -0.146 120.280 120.500 -0.123 0.000 2.081 3105 R HA -0.130 4.230 4.340 0.034 0.000 0.235 3105 R C 2.073 178.295 176.300 -0.130 0.000 1.131 3105 R CA 1.808 57.846 56.100 -0.103 0.000 0.960 3105 R CB -0.278 29.984 30.300 -0.063 0.000 0.856 3105 R HN 0.557 nan 8.270 nan 0.000 0.436 3106 K N 0.293 120.590 120.400 -0.170 0.000 2.152 3106 K HA -0.098 4.242 4.320 0.034 0.000 0.206 3106 K C 1.806 178.268 176.600 -0.230 0.000 1.048 3106 K CA 1.019 57.195 56.287 -0.184 0.000 0.933 3106 K CB -0.071 32.312 32.500 -0.194 0.000 0.721 3106 K HN 0.243 nan 8.250 nan 0.000 0.447 3107 L N -0.049 120.981 121.223 -0.322 0.000 2.627 3107 L HA 0.072 4.432 4.340 0.034 0.000 0.233 3107 L C 1.006 177.784 176.870 -0.153 0.000 1.144 3107 L CA 0.354 55.043 54.840 -0.251 0.000 0.892 3107 L CB -0.276 41.608 42.059 -0.291 0.000 1.039 3107 L HN 0.424 nan 8.230 nan 0.000 0.442 3108 G N -0.047 108.673 108.800 -0.133 0.000 2.141 3108 G HA2 -0.239 3.741 3.960 0.034 0.000 0.242 3108 G HA3 -0.239 3.741 3.960 0.034 0.000 0.242 3108 G C 0.196 175.043 174.900 -0.089 0.000 0.982 3108 G CA -0.048 44.992 45.100 -0.100 0.000 0.662 3108 G HN 0.113 nan 8.290 nan 0.000 0.527 3109 V N 1.083 120.940 119.914 -0.096 0.000 2.614 3109 V HA 0.339 4.479 4.120 0.034 0.000 0.291 3109 V C 0.759 176.813 176.094 -0.067 0.000 1.049 3109 V CA 0.034 62.287 62.300 -0.078 0.000 1.038 3109 V CB 1.660 33.429 31.823 -0.090 0.000 0.980 3109 V HN 0.351 nan 8.190 nan 0.000 0.481 3110 D N 4.436 124.805 120.400 -0.053 0.000 2.455 3110 D HA 0.084 4.744 4.640 0.034 0.000 0.234 3110 D C 1.102 177.377 176.300 -0.041 0.000 1.224 3110 D CA -0.266 53.709 54.000 -0.043 0.000 0.999 3110 D CB 0.328 41.107 40.800 -0.035 0.000 1.072 3110 D HN 0.288 nan 8.370 nan 0.000 0.514 3111 I N 2.403 122.945 120.570 -0.047 0.000 2.194 3111 I HA -0.255 3.936 4.170 0.034 0.000 0.246 3111 I C 1.546 177.644 176.117 -0.033 0.000 1.093 3111 I CA 1.157 62.429 61.300 -0.047 0.000 1.355 3111 I CB -0.558 37.413 38.000 -0.047 0.000 1.046 3111 I HN 0.387 nan 8.210 nan 0.000 0.413 3112 D N 0.310 120.694 120.400 -0.026 0.000 2.310 3112 D HA -0.098 4.563 4.640 0.034 0.000 0.212 3112 D C 1.416 177.708 176.300 -0.015 0.000 0.965 3112 D CA 0.737 54.725 54.000 -0.019 0.000 0.879 3112 D CB -0.114 40.676 40.800 -0.017 0.000 0.921 3112 D HN 0.403 nan 8.370 nan 0.000 0.510 3113 N N -0.019 118.671 118.700 -0.016 0.000 2.171 3113 N HA 0.044 4.804 4.740 0.034 0.000 0.212 3113 N C 0.130 175.636 175.510 -0.007 0.000 1.184 3113 N CA -0.178 52.866 53.050 -0.011 0.000 0.888 3113 N CB 1.470 39.949 38.487 -0.013 0.000 1.038 3113 N HN 0.169 nan 8.380 nan 0.000 0.517 3114 L N 2.642 123.859 121.223 -0.010 0.000 2.325 3114 L HA 0.291 4.652 4.340 0.034 0.000 0.284 3114 L C -0.245 176.633 176.870 0.013 0.000 1.089 3114 L CA -0.143 54.698 54.840 0.002 0.000 0.836 3114 L CB 0.277 42.328 42.059 -0.014 0.000 1.184 3114 L HN -0.058 nan 8.230 nan 0.000 0.444 3115 L N 5.260 126.497 121.223 0.024 0.000 2.453 3115 L HA 0.118 4.479 4.340 0.034 0.000 0.272 3115 L C 0.052 176.954 176.870 0.053 0.000 1.182 3115 L CA 0.141 54.998 54.840 0.028 0.000 0.858 3115 L CB 0.960 43.031 42.059 0.020 0.000 1.120 3115 L HN 0.665 nan 8.230 nan 0.000 0.474 3116 C N 2.925 122.251 119.300 0.044 0.000 2.609 3116 C HA 0.695 5.176 4.460 0.034 0.000 0.313 3116 C C -0.275 174.737 174.990 0.037 0.000 1.175 3116 C CA -0.349 58.709 59.018 0.066 0.000 1.434 3116 C CB 1.716 29.478 27.740 0.038 0.000 2.005 3116 C HN 0.825 nan 8.230 nan 0.000 0.471 3117 S N 3.606 119.326 115.700 0.035 0.000 2.575 3117 S HA 0.560 5.051 4.470 0.034 0.000 0.278 3117 S C -1.372 173.195 174.600 -0.055 0.000 1.139 3117 S CA -0.299 57.893 58.200 -0.014 0.000 0.954 3117 S CB 1.425 64.603 63.200 -0.037 0.000 1.054 3117 S HN 0.841 nan 8.310 nan 0.000 0.483 3118 Q N 4.416 124.161 119.800 -0.091 0.000 2.571 3118 Q HA 0.343 4.704 4.340 0.034 0.000 0.243 3118 Q C -2.388 173.555 176.000 -0.096 0.000 1.055 3118 Q CA -1.898 53.767 55.803 -0.230 0.000 0.815 3118 Q CB 1.457 30.003 28.738 -0.318 0.000 1.151 3118 Q HN 0.508 nan 8.270 nan 0.000 0.519 3119 P HA 0.084 nan 4.420 nan 0.000 0.276 3119 P C -0.291 177.045 177.300 0.061 0.000 1.244 3119 P CA -0.204 62.870 63.100 -0.043 0.000 0.801 3119 P CB 1.397 33.029 31.700 -0.113 0.000 1.006 3120 D N -0.676 119.739 120.400 0.026 0.000 2.162 3120 D HA -0.012 4.648 4.640 0.034 0.000 0.205 3120 D C 0.984 177.305 176.300 0.034 0.000 0.964 3120 D CA 1.531 55.564 54.000 0.055 0.000 0.847 3120 D CB -0.052 40.774 40.800 0.044 0.000 0.988 3120 D HN 0.532 nan 8.370 nan 0.000 0.480 3121 T N -3.770 110.781 114.554 -0.005 0.000 2.916 3121 T HA 0.549 4.919 4.350 0.034 0.000 0.292 3121 T C 1.333 176.017 174.700 -0.027 0.000 1.064 3121 T CA -0.393 61.701 62.100 -0.011 0.000 1.011 3121 T CB 1.903 70.763 68.868 -0.013 0.000 1.152 3121 T HN -0.066 nan 8.240 nan 0.000 0.510 3122 G N 0.390 109.180 108.800 -0.018 0.000 2.418 3122 G HA2 -0.134 3.847 3.960 0.034 0.000 0.217 3122 G HA3 -0.134 3.847 3.960 0.034 0.000 0.217 3122 G C 1.071 175.951 174.900 -0.033 0.000 1.158 3122 G CA 0.849 45.938 45.100 -0.018 0.000 0.771 3122 G HN 0.817 nan 8.290 nan 0.000 0.545 3123 E N -0.061 120.120 120.200 -0.032 0.000 2.077 3123 E HA -0.129 4.242 4.350 0.034 0.000 0.193 3123 E C 2.417 178.980 176.600 -0.062 0.000 0.989 3123 E CA 1.261 57.648 56.400 -0.022 0.000 0.800 3123 E CB -0.238 29.464 29.700 0.004 0.000 0.746 3123 E HN 0.634 nan 8.360 nan 0.000 0.452 3124 Q N 0.278 120.000 119.800 -0.129 0.000 2.061 3124 Q HA -0.219 4.142 4.340 0.034 0.000 0.204 3124 Q C 2.170 177.947 176.000 -0.371 0.000 0.984 3124 Q CA 1.673 57.244 55.803 -0.387 0.000 0.846 3124 Q CB -0.225 28.268 28.738 -0.409 0.000 0.902 3124 Q HN 0.304 nan 8.270 nan 0.000 0.421 3125 A N 0.786 123.484 122.820 -0.203 0.000 1.892 3125 A HA -0.204 4.137 4.320 0.034 0.000 0.218 3125 A C 2.048 179.567 177.584 -0.107 0.000 1.188 3125 A CA 1.665 53.615 52.037 -0.145 0.000 0.631 3125 A CB -0.796 18.162 19.000 -0.069 0.000 0.822 3125 A HN 0.474 nan 8.150 nan 0.000 0.447 3126 L N -1.142 120.046 121.223 -0.059 0.000 2.179 3126 L HA -0.077 4.284 4.340 0.034 0.000 0.208 3126 L C 2.548 179.408 176.870 -0.017 0.000 1.096 3126 L CA 0.831 55.665 54.840 -0.009 0.000 0.779 3126 L CB -0.428 41.644 42.059 0.022 0.000 0.922 3126 L HN 0.275 nan 8.230 nan 0.000 0.443 3127 E N 0.485 120.665 120.200 -0.032 0.000 2.150 3127 E HA -0.151 4.219 4.350 0.034 0.000 0.193 3127 E C 2.273 178.897 176.600 0.041 0.000 0.985 3127 E CA 1.148 57.576 56.400 0.046 0.000 0.814 3127 E CB -0.031 29.778 29.700 0.181 0.000 0.752 3127 E HN 0.506 nan 8.360 nan 0.000 0.466 3128 I N 0.031 120.553 120.570 -0.080 0.000 2.252 3128 I HA -0.305 3.886 4.170 0.034 0.000 0.245 3128 I C 2.497 178.596 176.117 -0.029 0.000 1.102 3128 I CA 0.577 61.847 61.300 -0.049 0.000 1.385 3128 I CB -0.234 37.683 38.000 -0.138 0.000 1.064 3128 I HN 0.122 nan 8.210 nan 0.000 0.414 3129 C N 0.489 119.755 119.300 -0.055 0.000 2.398 3129 C HA -0.238 4.243 4.460 0.034 0.000 0.276 3129 C C 2.576 177.547 174.990 -0.031 0.000 1.222 3129 C CA 1.404 60.385 59.018 -0.061 0.000 1.746 3129 C CB -0.992 26.703 27.740 -0.075 0.000 2.039 3129 C HN 0.541 nan 8.230 nan 0.000 0.470 3130 D N 0.320 120.717 120.400 -0.006 0.000 2.097 3130 D HA -0.082 4.579 4.640 0.034 0.000 0.195 3130 D C 2.209 178.518 176.300 0.014 0.000 0.989 3130 D CA 1.684 55.687 54.000 0.005 0.000 0.827 3130 D CB -0.248 40.564 40.800 0.021 0.000 0.966 3130 D HN 0.406 nan 8.370 nan 0.000 0.456 3131 A N 0.032 122.874 122.820 0.037 0.000 1.902 3131 A HA -0.123 4.217 4.320 0.034 0.000 0.217 3131 A C 2.425 180.023 177.584 0.024 0.000 1.181 3131 A CA 1.129 53.193 52.037 0.046 0.000 0.623 3131 A CB -0.798 18.256 19.000 0.089 0.000 0.818 3131 A HN 0.344 nan 8.150 nan 0.000 0.443 3132 L N -0.989 120.240 121.223 0.010 0.000 2.056 3132 L HA -0.151 4.210 4.340 0.034 0.000 0.207 3132 L C 3.128 179.992 176.870 -0.011 0.000 1.078 3132 L CA 0.919 55.757 54.840 -0.003 0.000 0.749 3132 L CB -0.628 41.420 42.059 -0.018 0.000 0.901 3132 L HN 0.440 nan 8.230 nan 0.000 0.433 3133 A N 0.312 123.121 122.820 -0.019 0.000 1.865 3133 A HA -0.237 4.103 4.320 0.034 0.000 0.217 3133 A C 2.382 179.959 177.584 -0.012 0.000 1.191 3133 A CA 1.690 53.714 52.037 -0.022 0.000 0.623 3133 A CB -0.583 18.400 19.000 -0.030 0.000 0.826 3133 A HN 0.304 nan 8.150 nan 0.000 0.444 3134 R N 0.070 120.567 120.500 -0.005 0.000 2.152 3134 R HA -0.117 4.244 4.340 0.034 0.000 0.232 3134 R C 2.547 178.850 176.300 0.004 0.000 1.117 3134 R CA 1.478 57.578 56.100 0.001 0.000 0.981 3134 R CB -0.369 29.935 30.300 0.006 0.000 0.870 3134 R HN 0.768 nan 8.270 nan 0.000 0.451 3135 S N -0.650 115.053 115.700 0.005 0.000 2.402 3135 S HA -0.051 4.440 4.470 0.034 0.000 0.229 3135 S C 1.636 176.238 174.600 0.003 0.000 1.021 3135 S CA 0.980 59.184 58.200 0.006 0.000 0.974 3135 S CB -0.075 63.129 63.200 0.007 0.000 0.800 3135 S HN 0.501 nan 8.310 nan 0.000 0.484 3136 G N 0.595 109.395 108.800 0.000 0.000 2.155 3136 G HA2 -0.173 3.807 3.960 0.034 0.000 0.257 3136 G HA3 -0.173 3.807 3.960 0.034 0.000 0.257 3136 G C 0.657 175.556 174.900 -0.001 0.000 0.983 3136 G CA 0.232 45.332 45.100 -0.000 0.000 0.676 3136 G HN 1.448 nan 8.290 nan 0.000 0.528 3137 A N -1.160 121.659 122.820 -0.002 0.000 2.343 3137 A HA 0.700 5.041 4.320 0.034 0.000 0.223 3137 A C 0.793 178.374 177.584 -0.005 0.000 1.214 3137 A CA 1.042 53.078 52.037 -0.002 0.000 0.900 3137 A CB 0.744 19.745 19.000 0.000 0.000 0.942 3137 A HN 0.970 nan 8.150 nan 0.000 0.507 3138 V N 0.712 120.621 119.914 -0.009 0.000 2.513 3138 V HA 0.259 4.399 4.120 0.034 0.000 0.299 3138 V C 0.069 176.153 176.094 -0.018 0.000 1.035 3138 V CA -0.542 61.749 62.300 -0.014 0.000 0.889 3138 V CB 1.717 33.529 31.823 -0.018 0.000 0.988 3138 V HN 0.380 nan 8.190 nan 0.000 0.440 3139 D N 1.746 122.135 120.400 -0.018 0.000 2.338 3139 D HA 0.084 4.745 4.640 0.034 0.000 0.224 3139 D C 0.343 176.626 176.300 -0.028 0.000 0.967 3139 D CA 1.221 55.209 54.000 -0.020 0.000 0.896 3139 D CB 1.553 42.343 40.800 -0.016 0.000 1.028 3139 D HN 0.403 nan 8.370 nan 0.000 0.493 3140 V N 0.776 120.671 119.914 -0.031 0.000 2.709 3140 V HA 0.514 4.655 4.120 0.034 0.000 0.308 3140 V C -1.547 174.512 176.094 -0.059 0.000 1.062 3140 V CA -0.717 61.555 62.300 -0.045 0.000 0.901 3140 V CB 2.179 33.980 31.823 -0.035 0.000 1.003 3140 V HN -0.094 nan 8.190 nan 0.000 0.425 3141 I N 6.527 127.034 120.570 -0.105 0.000 2.465 3141 I HA 0.630 4.821 4.170 0.034 0.000 0.291 3141 I C -0.560 175.416 176.117 -0.235 0.000 1.014 3141 I CA -1.044 60.165 61.300 -0.151 0.000 1.093 3141 I CB 2.030 39.925 38.000 -0.175 0.000 1.267 3141 I HN 0.633 nan 8.210 nan 0.000 0.431 3142 V N 7.133 126.874 119.914 -0.288 0.000 2.495 3142 V HA 0.572 4.713 4.120 0.034 0.000 0.298 3142 V C -0.790 174.939 176.094 -0.609 0.000 1.031 3142 V CA -0.356 61.688 62.300 -0.425 0.000 0.871 3142 V CB 1.995 33.614 31.823 -0.339 0.000 0.988 3142 V HN 0.444 nan 8.190 nan 0.000 0.432 3143 V N 5.990 125.583 119.914 -0.534 0.000 2.333 3143 V HA 0.385 4.525 4.120 0.034 0.000 0.274 3143 V C 0.001 175.913 176.094 -0.303 0.000 1.028 3143 V CA -0.346 61.708 62.300 -0.410 0.000 0.851 3143 V CB 1.174 32.817 31.823 -0.300 0.000 1.000 3143 V HN 0.957 nan 8.190 nan 0.000 0.456 3144 D N 3.705 123.883 120.400 -0.369 0.000 2.393 3144 D HA 0.290 4.951 4.640 0.034 0.000 0.232 3144 D C 0.016 176.288 176.300 -0.046 0.000 1.192 3144 D CA 0.650 54.544 54.000 -0.178 0.000 0.882 3144 D CB 0.746 41.501 40.800 -0.075 0.000 1.038 3144 D HN 0.633 nan 8.370 nan 0.000 0.499 3145 S N 1.280 116.971 115.700 -0.014 0.000 3.080 3145 S HA -0.163 4.328 4.470 0.034 0.000 0.790 3145 S C 1.070 175.685 174.600 0.026 0.000 0.736 3145 S CA 0.303 58.494 58.200 -0.014 0.000 1.493 3145 S CB -0.830 62.328 63.200 -0.071 0.000 1.047 3145 S HN 0.496 nan 8.310 nan 0.000 0.709 3146 V N 2.858 122.793 119.914 0.035 0.000 2.626 3146 V HA 0.073 4.214 4.120 0.034 0.000 0.252 3146 V C 2.216 178.301 176.094 -0.015 0.000 1.067 3146 V CA 2.354 64.658 62.300 0.006 0.000 1.081 3146 V CB -0.856 30.909 31.823 -0.096 0.000 0.686 3146 V HN 1.432 nan 8.190 nan 0.000 0.468 3147 A N 0.516 123.317 122.820 -0.031 0.000 2.019 3147 A HA 0.142 4.483 4.320 0.034 0.000 0.219 3147 A C 2.338 179.985 177.584 0.105 0.000 1.164 3147 A CA 1.964 53.998 52.037 -0.004 0.000 0.644 3147 A CB -0.807 18.148 19.000 -0.075 0.000 0.805 3147 A HN 1.139 nan 8.150 nan 0.000 0.449 3148 A N -1.405 121.481 122.820 0.110 0.000 2.275 3148 A HA 0.432 4.773 4.320 0.034 0.000 0.212 3148 A C 0.448 178.105 177.584 0.120 0.000 1.201 3148 A CA -0.094 52.059 52.037 0.194 0.000 0.843 3148 A CB -0.140 18.983 19.000 0.205 0.000 0.873 3148 A HN 0.271 nan 8.150 nan 0.000 0.492 3149 L N 2.483 123.746 121.223 0.067 0.000 2.448 3149 L HA 0.173 4.534 4.340 0.034 0.000 0.278 3149 L C -0.043 176.837 176.870 0.018 0.000 1.201 3149 L CA 0.737 55.599 54.840 0.037 0.000 1.036 3149 L CB -0.718 41.353 42.059 0.019 0.000 1.325 3149 L HN 0.091 nan 8.230 nan 0.000 0.441 3150 T N 4.800 119.365 114.554 0.019 0.000 2.743 3150 T HA 0.339 4.709 4.350 0.034 0.000 0.293 3150 T C -2.270 172.409 174.700 -0.035 0.000 0.945 3150 T CA -1.393 60.703 62.100 -0.008 0.000 1.030 3150 T CB 0.934 69.800 68.868 -0.005 0.000 0.912 3150 T HN 0.200 nan 8.240 nan 0.000 0.483 3151 P HA 0.045 nan 4.420 nan 0.000 0.266 3151 P C 1.045 178.285 177.300 -0.100 0.000 1.193 3151 P CA -0.325 62.727 63.100 -0.080 0.000 0.770 3151 P CB 0.713 32.349 31.700 -0.107 0.000 0.836 3152 K N 2.944 123.301 120.400 -0.073 0.000 2.074 3152 K HA -0.235 4.106 4.320 0.034 0.000 0.209 3152 K C 1.711 178.254 176.600 -0.095 0.000 1.048 3152 K CA 2.004 58.256 56.287 -0.059 0.000 0.926 3152 K CB -0.587 31.897 32.500 -0.027 0.000 0.713 3152 K HN 0.483 nan 8.250 nan 0.000 0.444 3153 A N 1.072 123.808 122.820 -0.139 0.000 1.933 3153 A HA -0.210 4.131 4.320 0.034 0.000 0.218 3153 A C 1.974 179.343 177.584 -0.358 0.000 1.175 3153 A CA 1.841 53.767 52.037 -0.185 0.000 0.628 3153 A CB -0.446 18.455 19.000 -0.166 0.000 0.814 3153 A HN 0.593 nan 8.150 nan 0.000 0.444 3154 E N -0.334 119.557 120.200 -0.516 0.000 2.046 3154 E HA -0.114 4.257 4.350 0.034 0.000 0.190 3154 E C 1.816 178.323 176.600 -0.156 0.000 0.982 3154 E CA 0.990 57.064 56.400 -0.542 0.000 0.800 3154 E CB -0.221 29.252 29.700 -0.378 0.000 0.756 3154 E HN 0.600 nan 8.360 nan 0.000 0.449 3155 I N 1.114 121.617 120.570 -0.112 0.000 2.208 3155 I HA -0.279 3.912 4.170 0.034 0.000 0.245 3155 I C 2.098 178.198 176.117 -0.028 0.000 1.097 3155 I CA 1.509 62.779 61.300 -0.049 0.000 1.363 3155 I CB -0.080 37.898 38.000 -0.037 0.000 1.051 3155 I HN 0.197 nan 8.210 nan 0.000 0.413 3156 E N 0.186 120.365 120.200 -0.034 0.000 2.216 3156 E HA 0.016 4.386 4.350 0.034 0.000 0.192 3156 E C 1.338 177.947 176.600 0.016 0.000 0.988 3156 E CA 0.381 56.776 56.400 -0.008 0.000 0.834 3156 E CB -0.124 29.571 29.700 -0.008 0.000 0.772 3156 E HN 0.505 nan 8.360 nan 0.000 0.479 3157 G N 1.029 109.848 108.800 0.032 0.000 2.651 3157 G HA2 0.029 4.009 3.960 0.034 0.000 0.260 3157 G HA3 0.029 4.009 3.960 0.034 0.000 0.260 3157 G C -0.175 174.779 174.900 0.090 0.000 1.216 3157 G CA -0.497 44.667 45.100 0.107 0.000 0.913 3157 G HN 0.003 nan 8.290 nan 0.000 0.535 3158 E N -1.228 119.023 120.200 0.085 0.000 2.312 3158 E HA 0.222 4.592 4.350 0.034 0.000 0.259 3158 E C 0.018 176.652 176.600 0.056 0.000 1.122 3158 E CA -0.403 56.029 56.400 0.052 0.000 0.922 3158 E CB 1.528 31.246 29.700 0.030 0.000 1.109 3158 E HN 0.237 nan 8.360 nan 0.000 0.442 3159 I N 1.265 121.854 120.570 0.032 0.000 2.517 3159 I HA 0.064 4.254 4.170 0.034 0.000 0.285 3159 I C 1.183 177.305 176.117 0.008 0.000 1.106 3159 I CA 0.913 62.227 61.300 0.023 0.000 1.402 3159 I CB 0.346 38.354 38.000 0.014 0.000 1.399 3159 I HN 0.889 nan 8.210 nan 0.000 0.535 3160 G N 4.086 112.884 108.800 -0.003 0.000 2.195 3160 G HA2 -0.199 3.781 3.960 0.034 0.000 0.224 3160 G HA3 -0.199 3.781 3.960 0.034 0.000 0.224 3160 G C -0.056 174.808 174.900 -0.060 0.000 0.990 3160 G CA -0.606 44.479 45.100 -0.025 0.000 0.639 3160 G HN 0.556 nan 8.290 nan 0.000 0.514 3161 D N 1.697 122.052 120.400 -0.075 0.000 2.389 3161 D HA 0.478 5.138 4.640 0.034 0.000 0.247 3161 D C 0.856 176.925 176.300 -0.385 0.000 1.128 3161 D CA 0.832 54.713 54.000 -0.198 0.000 0.884 3161 D CB 1.330 42.034 40.800 -0.159 0.000 1.194 3161 D HN 0.481 nan 8.370 nan 0.000 0.441 3162 S N 2.221 117.687 115.700 -0.390 0.000 2.475 3162 S HA 0.288 4.779 4.470 0.034 0.000 0.281 3162 S C -0.069 174.232 174.600 -0.499 0.000 1.198 3162 S CA -0.773 57.228 58.200 -0.332 0.000 1.063 3162 S CB 0.851 63.956 63.200 -0.159 0.000 0.972 3162 S HN 0.385 nan 8.310 nan 0.000 0.486 3163 H N 2.641 121.703 119.070 -0.013 0.000 2.429 3163 H HA 0.240 4.817 4.556 0.034 0.000 0.237 3163 H C -0.278 175.040 175.328 -0.016 0.000 1.378 3163 H CA -0.701 55.339 56.048 -0.013 0.000 1.170 3163 H CB 0.106 29.860 29.762 -0.013 0.000 1.671 3163 H HN 0.477 nan 8.280 nan 0.000 0.541 3164 M N 1.031 120.651 119.600 0.032 0.000 2.611 3164 M HA -0.004 4.497 4.480 0.034 0.000 0.361 3164 M C 1.247 177.559 176.300 0.020 0.000 1.761 3164 M CA 0.767 56.075 55.300 0.014 0.000 1.145 3164 M CB -0.871 31.723 32.600 -0.010 0.000 2.121 3164 M HN 0.858 nan 8.290 nan 0.000 0.465 3165 G N 3.805 112.615 108.800 0.017 0.000 2.225 3165 G HA2 -0.274 3.707 3.960 0.034 0.000 0.267 3165 G HA3 -0.274 3.707 3.960 0.034 0.000 0.267 3165 G C 0.675 175.580 174.900 0.009 0.000 1.024 3165 G CA 0.438 45.542 45.100 0.006 0.000 0.784 3165 G HN 0.674 nan 8.290 nan 0.000 0.507 3166 L N 0.011 121.250 121.223 0.027 0.000 2.072 3166 L HA 0.396 4.757 4.340 0.034 0.000 0.205 3166 L C 2.967 179.830 176.870 -0.012 0.000 1.079 3166 L CA 2.914 57.763 54.840 0.014 0.000 0.752 3166 L CB -0.506 41.571 42.059 0.030 0.000 0.906 3166 L HN 0.492 nan 8.230 nan 0.000 0.436 3167 A N -0.760 122.052 122.820 -0.013 0.000 1.930 3167 A HA -0.094 4.247 4.320 0.034 0.000 0.217 3167 A C 2.421 179.982 177.584 -0.039 0.000 1.175 3167 A CA 1.560 53.580 52.037 -0.029 0.000 0.627 3167 A CB -0.967 18.017 19.000 -0.026 0.000 0.815 3167 A HN 0.491 nan 8.150 nan 0.000 0.443 3168 A N 0.791 123.594 122.820 -0.030 0.000 1.877 3168 A HA -0.179 4.161 4.320 0.034 0.000 0.216 3168 A C 2.256 179.823 177.584 -0.029 0.000 1.186 3168 A CA 1.815 53.833 52.037 -0.032 0.000 0.620 3168 A CB -0.534 18.455 19.000 -0.019 0.000 0.822 3168 A HN 0.698 nan 8.150 nan 0.000 0.443 3169 R N -0.611 119.877 120.500 -0.021 0.000 2.148 3169 R HA -0.001 4.360 4.340 0.034 0.000 0.227 3169 R C 2.099 178.384 176.300 -0.026 0.000 1.103 3169 R CA 1.583 57.672 56.100 -0.019 0.000 0.983 3169 R CB -0.492 29.800 30.300 -0.012 0.000 0.874 3169 R HN 0.539 nan 8.270 nan 0.000 0.451 3170 M N 0.319 119.899 119.600 -0.033 0.000 2.099 3170 M HA -0.114 4.387 4.480 0.034 0.000 0.262 3170 M C 1.874 178.140 176.300 -0.057 0.000 1.067 3170 M CA 1.560 56.837 55.300 -0.038 0.000 1.124 3170 M CB 0.026 32.603 32.600 -0.038 0.000 1.353 3170 M HN 0.225 nan 8.290 nan 0.000 0.410 3171 M N -0.481 119.072 119.600 -0.080 0.000 2.117 3171 M HA -0.176 4.325 4.480 0.034 0.000 0.262 3171 M C 2.434 178.655 176.300 -0.131 0.000 1.065 3171 M CA 1.541 56.763 55.300 -0.130 0.000 1.114 3171 M CB -1.403 31.104 32.600 -0.155 0.000 1.361 3171 M HN 0.387 nan 8.290 nan 0.000 0.408 3172 S N -0.141 115.510 115.700 -0.080 0.000 2.368 3172 S HA -0.204 4.287 4.470 0.034 0.000 0.225 3172 S C 1.897 176.447 174.600 -0.084 0.000 1.030 3172 S CA 1.498 59.661 58.200 -0.061 0.000 0.999 3172 S CB -0.139 63.053 63.200 -0.014 0.000 0.844 3172 S HN 0.538 nan 8.310 nan 0.000 0.459 3173 Q N 0.057 119.823 119.800 -0.057 0.000 2.079 3173 Q HA -0.057 4.303 4.340 0.034 0.000 0.200 3173 Q C 2.209 178.167 176.000 -0.071 0.000 0.974 3173 Q CA 1.297 57.077 55.803 -0.039 0.000 0.840 3173 Q CB -0.386 28.352 28.738 0.000 0.000 0.898 3173 Q HN 0.621 nan 8.270 nan 0.000 0.430 3174 A N 0.903 123.671 122.820 -0.086 0.000 1.883 3174 A HA -0.221 4.120 4.320 0.034 0.000 0.217 3174 A C 2.056 179.545 177.584 -0.157 0.000 1.186 3174 A CA 1.736 53.723 52.037 -0.083 0.000 0.624 3174 A CB -0.524 18.444 19.000 -0.055 0.000 0.822 3174 A HN 0.399 nan 8.150 nan 0.000 0.444 3175 M N -1.078 118.337 119.600 -0.309 0.000 2.080 3175 M HA -0.136 4.365 4.480 0.034 0.000 0.260 3175 M C 2.164 178.106 176.300 -0.596 0.000 1.068 3175 M CA 1.789 56.714 55.300 -0.625 0.000 1.109 3175 M CB -1.382 30.465 32.600 -1.254 0.000 1.342 3175 M HN 0.456 nan 8.290 nan 0.000 0.405 3176 R N 0.515 120.769 120.500 -0.410 0.000 2.134 3176 R HA -0.207 4.154 4.340 0.034 0.000 0.248 3176 R C 2.191 178.449 176.300 -0.070 0.000 1.143 3176 R CA 2.119 58.149 56.100 -0.117 0.000 0.957 3176 R CB -0.052 30.221 30.300 -0.044 0.000 0.867 3176 R HN 0.404 nan 8.270 nan 0.000 0.441 3177 K N -0.471 119.878 120.400 -0.084 0.000 2.098 3177 K HA -0.001 4.339 4.320 0.034 0.000 0.203 3177 K C 2.082 178.643 176.600 -0.065 0.000 1.051 3177 K CA 0.880 57.135 56.287 -0.053 0.000 0.957 3177 K CB 0.021 32.504 32.500 -0.029 0.000 0.738 3177 K HN 0.138 nan 8.250 nan 0.000 0.447 3178 L N 0.817 121.995 121.223 -0.075 0.000 2.056 3178 L HA -0.119 4.241 4.340 0.034 0.000 0.207 3178 L C 2.602 179.429 176.870 -0.071 0.000 1.078 3178 L CA 0.929 55.735 54.840 -0.056 0.000 0.749 3178 L CB -0.577 41.471 42.059 -0.018 0.000 0.901 3178 L HN 0.195 nan 8.230 nan 0.000 0.433 3179 A N 0.511 123.289 122.820 -0.069 0.000 1.892 3179 A HA -0.210 4.131 4.320 0.034 0.000 0.218 3179 A C 2.382 179.816 177.584 -0.250 0.000 1.188 3179 A CA 2.110 54.129 52.037 -0.030 0.000 0.631 3179 A CB -1.385 17.713 19.000 0.164 0.000 0.822 3179 A HN 0.455 nan 8.150 nan 0.000 0.447 3180 G N -0.623 107.910 108.800 -0.445 0.000 2.404 3180 G HA2 -0.261 3.720 3.960 0.034 0.000 0.215 3180 G HA3 -0.261 3.720 3.960 0.034 0.000 0.215 3180 G C 1.446 176.146 174.900 -0.332 0.000 1.174 3180 G CA 1.057 45.673 45.100 -0.806 0.000 0.780 3180 G HN 0.714 nan 8.290 nan 0.000 0.537 3181 N N 0.047 118.646 118.700 -0.169 0.000 2.120 3181 N HA -0.025 4.736 4.740 0.034 0.000 0.188 3181 N C 2.215 177.688 175.510 -0.061 0.000 1.024 3181 N CA 0.609 53.609 53.050 -0.082 0.000 0.852 3181 N CB -0.162 38.294 38.487 -0.052 0.000 1.003 3181 N HN 0.234 nan 8.380 nan 0.000 0.424 3182 L N 0.813 121.997 121.223 -0.065 0.000 2.046 3182 L HA -0.160 4.201 4.340 0.034 0.000 0.208 3182 L C 2.437 179.297 176.870 -0.016 0.000 1.077 3182 L CA 1.007 55.826 54.840 -0.035 0.000 0.747 3182 L CB -0.297 41.748 42.059 -0.023 0.000 0.896 3182 L HN 0.111 nan 8.230 nan 0.000 0.432 3183 K N 0.632 121.021 120.400 -0.018 0.000 2.026 3183 K HA -0.198 4.142 4.320 0.034 0.000 0.208 3183 K C 2.034 178.660 176.600 0.044 0.000 1.048 3183 K CA 1.603 57.916 56.287 0.042 0.000 0.929 3183 K CB -0.201 32.380 32.500 0.134 0.000 0.713 3183 K HN 0.212 nan 8.250 nan 0.000 0.439 3184 Q N -0.476 119.341 119.800 0.027 0.000 2.488 3184 Q HA 0.061 4.422 4.340 0.034 0.000 0.211 3184 Q C 0.726 176.738 176.000 0.020 0.000 0.967 3184 Q CA 1.126 56.951 55.803 0.036 0.000 0.926 3184 Q CB 0.359 29.120 28.738 0.040 0.000 0.992 3184 Q HN 0.269 nan 8.270 nan 0.000 0.506 3185 S N -0.118 115.587 115.700 0.008 0.000 2.559 3185 S HA 0.072 4.563 4.470 0.034 0.000 0.226 3185 S C 0.224 174.826 174.600 0.003 0.000 1.000 3185 S CA -0.228 57.974 58.200 0.004 0.000 0.948 3185 S CB 0.357 63.554 63.200 -0.005 0.000 0.870 3185 S HN 0.393 nan 8.310 nan 0.000 0.497 3186 N N 2.196 120.901 118.700 0.008 0.000 2.740 3186 N HA -0.139 4.622 4.740 0.034 0.000 0.248 3186 N C -1.212 174.296 175.510 -0.003 0.000 1.062 3186 N CA 0.846 53.900 53.050 0.007 0.000 0.704 3186 N CB -1.612 36.880 38.487 0.008 0.000 0.968 3186 N HN 0.341 nan 8.380 nan 0.000 0.547 3187 T N 0.796 115.345 114.554 -0.009 0.000 2.767 3187 T HA 0.450 4.820 4.350 0.034 0.000 0.284 3187 T C 0.216 174.899 174.700 -0.028 0.000 0.973 3187 T CA -0.679 61.408 62.100 -0.022 0.000 0.996 3187 T CB 1.551 70.400 68.868 -0.031 0.000 0.927 3187 T HN 0.277 nan 8.240 nan 0.000 0.456 3188 L N 4.653 125.855 121.223 -0.035 0.000 2.290 3188 L HA 0.535 4.895 4.340 0.034 0.000 0.284 3188 L C -0.835 175.986 176.870 -0.081 0.000 1.078 3188 L CA -0.286 54.529 54.840 -0.042 0.000 0.815 3188 L CB 0.305 42.344 42.059 -0.034 0.000 1.162 3188 L HN 0.614 nan 8.230 nan 0.000 0.435 3189 L N 7.012 128.176 121.223 -0.099 0.000 2.319 3189 L HA 0.523 4.884 4.340 0.034 0.000 0.281 3189 L C -0.946 175.785 176.870 -0.231 0.000 1.005 3189 L CA -0.473 54.241 54.840 -0.209 0.000 0.828 3189 L CB 1.181 43.096 42.059 -0.239 0.000 1.227 3189 L HN 0.669 nan 8.230 nan 0.000 0.415 3190 I N 4.539 124.943 120.570 -0.276 0.000 2.321 3190 I HA 0.270 4.461 4.170 0.034 0.000 0.291 3190 I C -0.805 175.123 176.117 -0.316 0.000 0.998 3190 I CA -0.316 60.869 61.300 -0.193 0.000 1.227 3190 I CB 1.260 39.196 38.000 -0.106 0.000 1.368 3190 I HN 0.388 nan 8.210 nan 0.000 0.466 3191 F N 6.583 126.507 119.950 -0.044 0.000 2.404 3191 F HA 0.473 5.020 4.527 0.035 0.000 0.354 3191 F C 0.399 176.182 175.800 -0.029 0.000 1.122 3191 F CA -0.431 57.537 58.000 -0.052 0.000 1.080 3191 F CB 0.998 39.979 39.000 -0.032 0.000 1.131 3191 F HN 0.216 nan 8.300 nan 0.000 0.471 3192 I N 3.465 124.112 120.570 0.129 0.000 2.428 3192 I HA 0.217 4.408 4.170 0.034 0.000 0.289 3192 I C -0.150 176.023 176.117 0.092 0.000 1.019 3192 I CA -0.118 61.239 61.300 0.096 0.000 1.351 3192 I CB 1.144 39.172 38.000 0.046 0.000 1.412 3192 I HN 0.643 nan 8.210 nan 0.000 0.513 3193 N N 3.893 122.646 118.700 0.088 0.000 2.312 3193 N HA 0.398 5.159 4.740 0.034 0.000 0.296 3193 N C -1.289 174.195 175.510 -0.044 0.000 1.193 3193 N CA -0.689 52.369 53.050 0.014 0.000 0.773 3193 N CB 1.810 40.307 38.487 0.017 0.000 1.435 3193 N HN 0.541 nan 8.380 nan 0.000 0.484 3194 Q N 0.742 120.409 119.800 -0.223 0.000 2.194 3194 Q HA 0.520 4.881 4.340 0.034 0.000 0.245 3194 Q C -0.699 175.102 176.000 -0.330 0.000 0.993 3194 Q CA -0.696 54.799 55.803 -0.513 0.000 0.930 3194 Q CB 2.070 30.186 28.738 -1.037 0.000 1.238 3194 Q HN 0.468 nan 8.270 nan 0.000 0.486 3195 I N 1.231 121.615 120.570 -0.309 0.000 2.392 3195 I HA 0.392 4.582 4.170 0.034 0.000 0.295 3195 I C -0.212 175.882 176.117 -0.039 0.000 0.985 3195 I CA -0.695 60.571 61.300 -0.056 0.000 1.221 3195 I CB 0.940 39.035 38.000 0.158 0.000 1.366 3195 I HN 0.337 nan 8.210 nan 0.000 0.467 3196 R N 4.762 125.239 120.500 -0.038 0.000 2.854 3196 R HA 0.592 4.952 4.340 0.034 0.000 0.271 3196 R C -0.994 175.304 176.300 -0.003 0.000 0.994 3196 R CA -1.317 54.779 56.100 -0.007 0.000 0.945 3196 R CB 1.703 31.983 30.300 -0.033 0.000 1.194 3196 R HN 0.373 nan 8.270 nan 0.000 0.476 3197 M N 2.076 121.679 119.600 0.004 0.000 2.249 3197 M HA 0.228 4.729 4.480 0.034 0.000 0.351 3197 M C 0.060 176.344 176.300 -0.027 0.000 1.180 3197 M CA -0.390 54.904 55.300 -0.011 0.000 1.127 3197 M CB 0.696 33.290 32.600 -0.010 0.000 1.546 3197 M HN 0.242 nan 8.290 nan 0.000 0.461 3198 K N 4.131 124.508 120.400 -0.037 0.000 2.253 3198 K HA 0.487 4.828 4.320 0.034 0.000 0.277 3198 K C -0.792 175.776 176.600 -0.054 0.000 1.053 3198 K CA -0.339 55.924 56.287 -0.039 0.000 0.892 3198 K CB 0.491 32.973 32.500 -0.030 0.000 1.102 3198 K HN 0.605 nan 8.250 nan 0.000 0.469 3199 I N 1.887 122.430 120.570 -0.045 0.000 2.754 3199 I HA 0.036 4.227 4.170 0.034 0.000 0.285 3199 I C 1.251 177.332 176.117 -0.061 0.000 1.166 3199 I CA 0.903 62.172 61.300 -0.052 0.000 1.417 3199 I CB 0.515 38.494 38.000 -0.036 0.000 1.382 3199 I HN 1.039 nan 8.210 nan 0.000 0.588 3200 G N 4.049 112.800 108.800 -0.082 0.000 2.179 3200 G HA2 -0.202 3.778 3.960 0.034 0.000 0.257 3200 G HA3 -0.202 3.778 3.960 0.034 0.000 0.257 3200 G C -0.149 174.637 174.900 -0.190 0.000 1.010 3200 G CA -0.146 44.903 45.100 -0.085 0.000 0.736 3200 G HN 0.442 nan 8.290 nan 0.000 0.513 3201 V N 0.642 120.355 119.914 -0.335 0.000 2.304 3201 V HA 0.554 4.695 4.120 0.034 0.000 0.278 3201 V C 0.406 176.004 176.094 -0.826 0.000 1.018 3201 V CA -0.312 61.530 62.300 -0.764 0.000 0.814 3201 V CB 1.328 32.923 31.823 -0.379 0.000 1.021 3201 V HN 0.318 nan 8.190 nan 0.000 0.440 3202 M N 6.531 125.428 119.600 -1.171 0.000 2.972 3202 M HA 0.472 4.972 4.480 0.034 0.000 0.323 3202 M C -0.857 175.190 176.300 -0.421 0.000 1.213 3202 M CA 0.248 55.205 55.300 -0.572 0.000 0.935 3202 M CB -0.214 32.228 32.600 -0.263 0.000 1.289 3202 M HN 0.505 nan 8.290 nan 0.000 0.525 3203 F N -2.142 117.805 119.950 -0.005 0.000 2.730 3203 F HA 0.812 5.360 4.527 0.035 0.000 0.335 3203 F C 0.546 176.344 175.800 -0.005 0.000 1.212 3203 F CA -1.228 56.769 58.000 -0.005 0.000 1.016 3203 F CB 0.082 39.078 39.000 -0.006 0.000 1.290 3203 F HN 0.326 nan 8.300 nan 0.000 0.495 3204 G N 2.848 111.728 108.800 0.133 0.000 2.536 3204 G HA2 -0.306 3.675 3.960 0.034 0.000 0.280 3204 G HA3 -0.306 3.675 3.960 0.034 0.000 0.280 3204 G C -0.770 174.149 174.900 0.032 0.000 1.152 3204 G CA 0.070 45.220 45.100 0.083 0.000 0.970 3204 G HN 1.033 nan 8.290 nan 0.000 0.549 3205 N N 2.373 121.095 118.700 0.037 0.000 2.437 3205 N HA 0.509 5.269 4.740 0.034 0.000 0.259 3205 N C -1.340 174.164 175.510 -0.009 0.000 0.983 3205 N CA -1.361 51.698 53.050 0.015 0.000 0.937 3205 N CB 1.732 40.239 38.487 0.032 0.000 1.122 3205 N HN 0.317 nan 8.380 nan 0.000 0.499 3206 P HA 0.052 nan 4.420 nan 0.000 0.249 3206 P C -0.562 176.720 177.300 -0.030 0.000 1.229 3206 P CA 0.510 63.577 63.100 -0.055 0.000 0.788 3206 P CB 0.393 32.048 31.700 -0.075 0.000 1.072 3207 E N 0.275 120.468 120.200 -0.011 0.000 2.331 3207 E HA 0.312 4.682 4.350 0.034 0.000 0.272 3207 E C 0.045 176.616 176.600 -0.048 0.000 1.036 3207 E CA 0.169 56.563 56.400 -0.010 0.000 0.864 3207 E CB 0.848 30.564 29.700 0.026 0.000 1.035 3207 E HN 0.110 nan 8.360 nan 0.000 0.408 3208 T N 0.211 114.720 114.554 -0.075 0.000 2.669 3208 T HA 0.460 4.831 4.350 0.034 0.000 0.283 3208 T C -0.365 174.223 174.700 -0.186 0.000 1.019 3208 T CA -0.744 61.278 62.100 -0.130 0.000 1.039 3208 T CB 1.754 70.566 68.868 -0.094 0.000 1.374 3208 T HN 0.306 nan 8.240 nan 0.000 0.523 3209 T N 0.922 115.350 114.554 -0.210 0.000 2.906 3209 T HA 0.624 4.994 4.350 0.034 0.000 0.295 3209 T C -0.604 174.001 174.700 -0.159 0.000 1.075 3209 T CA -0.408 61.549 62.100 -0.239 0.000 1.005 3209 T CB 1.648 70.297 68.868 -0.365 0.000 1.136 3209 T HN 0.662 nan 8.240 nan 0.000 0.498 3210 T N 1.071 115.538 114.554 -0.145 0.000 2.882 3210 T HA 0.515 4.885 4.350 0.034 0.000 0.287 3210 T C 1.235 175.871 174.700 -0.106 0.000 1.014 3210 T CA 0.677 62.712 62.100 -0.110 0.000 1.049 3210 T CB 0.828 69.635 68.868 -0.101 0.000 1.001 3210 T HN 1.102 nan 8.240 nan 0.000 0.525 3211 G N 0.304 109.054 108.800 -0.083 0.000 2.141 3211 G HA2 0.210 4.190 3.960 0.034 0.000 0.242 3211 G HA3 0.210 4.190 3.960 0.034 0.000 0.242 3211 G C 0.672 175.524 174.900 -0.079 0.000 0.982 3211 G CA 0.110 45.157 45.100 -0.088 0.000 0.662 3211 G HN 1.726 nan 8.290 nan 0.000 0.527 3212 G N -0.494 108.270 108.800 -0.060 0.000 2.545 3212 G HA2 -0.074 3.907 3.960 0.034 0.000 0.216 3212 G HA3 -0.074 3.907 3.960 0.034 0.000 0.216 3212 G C 0.399 175.293 174.900 -0.010 0.000 1.314 3212 G CA 0.504 45.587 45.100 -0.029 0.000 0.906 3212 G HN 0.870 nan 8.290 nan 0.000 0.563 3213 N N 0.316 119.045 118.700 0.049 0.000 2.388 3213 N HA 0.224 4.985 4.740 0.034 0.000 0.176 3213 N C 2.467 178.129 175.510 0.253 0.000 1.062 3213 N CA 1.418 54.547 53.050 0.131 0.000 0.895 3213 N CB -0.088 38.522 38.487 0.205 0.000 1.018 3213 N HN 0.908 nan 8.380 nan 0.000 0.456 3214 A N 1.537 124.477 122.820 0.200 0.000 1.892 3214 A HA -0.152 4.189 4.320 0.034 0.000 0.218 3214 A C 2.160 179.949 177.584 0.343 0.000 1.188 3214 A CA 1.178 53.395 52.037 0.299 0.000 0.631 3214 A CB -0.793 18.281 19.000 0.124 0.000 0.822 3214 A HN 0.215 nan 8.150 nan 0.000 0.447 3215 L N -0.073 121.213 121.223 0.105 0.000 2.079 3215 L HA -0.179 4.182 4.340 0.034 0.000 0.210 3215 L C 2.220 179.151 176.870 0.100 0.000 1.081 3215 L CA 2.274 57.142 54.840 0.046 0.000 0.752 3215 L CB -0.627 41.341 42.059 -0.152 0.000 0.896 3215 L HN 0.388 nan 8.230 nan 0.000 0.433 3216 K N -1.162 119.256 120.400 0.032 0.000 2.059 3216 K HA -0.245 4.096 4.320 0.034 0.000 0.212 3216 K C 2.042 178.575 176.600 -0.111 0.000 1.050 3216 K CA 2.240 58.469 56.287 -0.096 0.000 0.927 3216 K CB -0.471 31.864 32.500 -0.276 0.000 0.714 3216 K HN 0.291 nan 8.250 nan 0.000 0.447 3217 F N -0.919 119.062 119.950 0.051 0.000 2.163 3217 F HA -0.118 4.429 4.527 0.034 0.000 0.297 3217 F C 1.980 177.742 175.800 -0.063 0.000 1.094 3217 F CA 1.038 59.022 58.000 -0.026 0.000 1.290 3217 F CB -0.244 38.702 39.000 -0.089 0.000 1.017 3217 F HN 0.018 nan 8.300 nan 0.000 0.483 3218 Y N -0.037 120.388 120.300 0.209 0.000 2.519 3218 Y HA 0.270 4.841 4.550 0.035 0.000 0.287 3218 Y C 1.507 177.470 175.900 0.105 0.000 1.128 3218 Y CA -0.126 58.060 58.100 0.143 0.000 1.282 3218 Y CB -0.585 37.944 38.460 0.116 0.000 1.027 3218 Y HN -0.127 nan 8.280 nan 0.000 0.551 3219 A N -0.207 122.738 122.820 0.208 0.000 2.488 3219 A HA 0.177 4.517 4.320 0.034 0.000 0.249 3219 A C 1.255 178.885 177.584 0.076 0.000 1.083 3219 A CA 0.276 52.397 52.037 0.140 0.000 0.768 3219 A CB 0.247 19.312 19.000 0.108 0.000 1.017 3219 A HN 0.305 nan 8.150 nan 0.000 0.496 3220 S N 0.585 116.322 115.700 0.062 0.000 2.478 3220 S HA 0.147 4.638 4.470 0.034 0.000 0.222 3220 S C 0.408 174.991 174.600 -0.029 0.000 1.008 3220 S CA 0.583 58.790 58.200 0.012 0.000 0.928 3220 S CB 0.041 63.251 63.200 0.016 0.000 0.781 3220 S HN 0.567 nan 8.310 nan 0.000 0.518 3221 V N 2.209 122.117 119.914 -0.009 0.000 2.760 3221 V HA 0.481 4.621 4.120 0.034 0.000 0.309 3221 V C -0.769 175.326 176.094 0.001 0.000 1.077 3221 V CA -0.880 61.401 62.300 -0.032 0.000 0.910 3221 V CB 2.104 33.909 31.823 -0.030 0.000 1.008 3221 V HN 0.122 nan 8.190 nan 0.000 0.424 3222 R N 3.930 124.422 120.500 -0.014 0.000 2.534 3222 R HA 0.700 5.061 4.340 0.034 0.000 0.301 3222 R C -1.879 174.409 176.300 -0.020 0.000 0.961 3222 R CA -0.907 55.217 56.100 0.039 0.000 0.871 3222 R CB 2.318 32.682 30.300 0.107 0.000 1.170 3222 R HN 0.348 nan 8.270 nan 0.000 0.446 3223 L N 2.265 123.450 121.223 -0.063 0.000 2.333 3223 L HA 0.296 4.656 4.340 0.034 0.000 0.280 3223 L C -0.370 176.237 176.870 -0.440 0.000 1.004 3223 L CA -0.570 54.177 54.840 -0.156 0.000 0.820 3223 L CB 1.557 43.572 42.059 -0.074 0.000 1.247 3223 L HN 0.492 nan 8.230 nan 0.000 0.416 3224 D N 4.280 124.404 120.400 -0.460 0.000 2.412 3224 D HA 0.279 4.939 4.640 0.034 0.000 0.224 3224 D C -0.723 175.419 176.300 -0.264 0.000 1.093 3224 D CA -0.180 53.441 54.000 -0.632 0.000 0.850 3224 D CB 0.946 41.498 40.800 -0.413 0.000 1.046 3224 D HN 0.461 nan 8.370 nan 0.000 0.507 3225 I N 3.380 123.830 120.570 -0.200 0.000 2.412 3225 I HA 0.502 4.692 4.170 0.034 0.000 0.296 3225 I C -0.740 175.357 176.117 -0.034 0.000 0.987 3225 I CA -0.680 60.577 61.300 -0.071 0.000 1.180 3225 I CB 0.727 38.727 38.000 0.000 0.000 1.340 3225 I HN 0.262 nan 8.210 nan 0.000 0.455 3226 R N 5.501 125.977 120.500 -0.041 0.000 2.626 3226 R HA 0.382 4.743 4.340 0.034 0.000 0.274 3226 R C -1.139 175.141 176.300 -0.034 0.000 1.031 3226 R CA -0.913 55.177 56.100 -0.017 0.000 0.898 3226 R CB 2.077 32.370 30.300 -0.013 0.000 1.222 3226 R HN 0.565 nan 8.270 nan 0.000 0.455 3227 R N 4.015 124.516 120.500 0.002 0.000 2.267 3227 R HA 0.200 4.561 4.340 0.034 0.000 0.319 3227 R C 0.684 176.978 176.300 -0.010 0.000 1.067 3227 R CA 0.030 56.133 56.100 0.005 0.000 0.936 3227 R CB 0.406 30.742 30.300 0.060 0.000 1.006 3227 R HN 0.762 nan 8.270 nan 0.000 0.452 3228 I N 0.706 121.255 120.570 -0.035 0.000 4.082 3228 I HA 0.502 4.692 4.170 0.034 0.000 0.337 3228 I C 0.376 176.474 176.117 -0.033 0.000 1.352 3228 I CA -0.224 61.054 61.300 -0.035 0.000 1.097 3228 I CB 0.953 38.922 38.000 -0.051 0.000 1.048 3228 I HN 0.668 nan 8.210 nan 0.000 0.393 3229 G N 1.046 109.828 108.800 -0.030 0.000 2.320 3229 G HA2 0.604 4.585 3.960 0.034 0.000 0.296 3229 G HA3 0.604 4.585 3.960 0.034 0.000 0.296 3229 G C -1.976 172.901 174.900 -0.038 0.000 1.306 3229 G CA -0.234 44.843 45.100 -0.039 0.000 0.836 3229 G HN 0.327 nan 8.290 nan 0.000 0.517 3230 A N -0.742 122.042 122.820 -0.059 0.000 2.324 3230 A HA 0.786 5.126 4.320 0.034 0.000 0.330 3230 A C -0.301 177.250 177.584 -0.056 0.000 1.165 3230 A CA -0.552 51.446 52.037 -0.064 0.000 0.813 3230 A CB 1.611 20.539 19.000 -0.121 0.000 1.197 3230 A HN 1.477 nan 8.150 nan 0.000 0.484 3231 V N 2.987 122.864 119.914 -0.062 0.000 2.383 3231 V HA 0.346 4.486 4.120 0.034 0.000 0.275 3231 V C 0.081 176.145 176.094 -0.051 0.000 1.036 3231 V CA -0.295 61.966 62.300 -0.065 0.000 0.889 3231 V CB 0.921 32.687 31.823 -0.095 0.000 0.985 3231 V HN 0.839 nan 8.190 nan 0.000 0.459 3232 K N 3.420 123.799 120.400 -0.035 0.000 2.345 3232 K HA 0.455 4.796 4.320 0.034 0.000 0.255 3232 K C -0.645 175.948 176.600 -0.013 0.000 0.934 3232 K CA -0.721 55.554 56.287 -0.020 0.000 0.801 3232 K CB 2.397 34.883 32.500 -0.023 0.000 1.137 3232 K HN 0.517 nan 8.250 nan 0.000 0.424 3233 E N 2.278 122.478 120.200 0.001 0.000 2.069 3233 E HA 0.109 4.480 4.350 0.034 0.000 0.254 3233 E C 0.814 177.417 176.600 0.005 0.000 1.088 3233 E CA -0.027 56.375 56.400 0.003 0.000 1.017 3233 E CB 0.678 30.387 29.700 0.014 0.000 1.226 3233 E HN 0.986 nan 8.360 nan 0.000 0.458 3234 G N 3.658 112.456 108.800 -0.003 0.000 3.434 3234 G HA2 -0.448 3.532 3.960 0.034 0.000 0.343 3234 G HA3 -0.448 3.532 3.960 0.034 0.000 0.343 3234 G C 1.121 176.021 174.900 0.001 0.000 1.240 3234 G CA 0.702 45.800 45.100 -0.003 0.000 0.996 3234 G HN 0.487 nan 8.290 nan 0.000 0.650 3235 E N 1.937 122.143 120.200 0.009 0.000 2.033 3235 E HA -0.018 4.352 4.350 0.034 0.000 0.189 3235 E C 1.097 177.711 176.600 0.023 0.000 0.979 3235 E CA 1.030 57.438 56.400 0.014 0.000 0.802 3235 E CB -0.375 29.336 29.700 0.019 0.000 0.763 3235 E HN 0.760 nan 8.360 nan 0.000 0.449 3236 N N 1.310 120.032 118.700 0.036 0.000 2.514 3236 N HA 0.164 4.924 4.740 0.034 0.000 0.277 3236 N C -0.733 174.819 175.510 0.069 0.000 1.126 3236 N CA -0.245 52.843 53.050 0.064 0.000 0.978 3236 N CB 1.651 40.183 38.487 0.074 0.000 1.106 3236 N HN -0.193 nan 8.380 nan 0.000 0.461 3237 V N 2.418 122.399 119.914 0.113 0.000 2.405 3237 V HA 0.022 4.163 4.120 0.034 0.000 0.264 3237 V C 0.757 176.989 176.094 0.230 0.000 1.048 3237 V CA -0.095 62.289 62.300 0.140 0.000 0.966 3237 V CB 1.005 32.922 31.823 0.158 0.000 1.015 3237 V HN 0.626 nan 8.190 nan 0.000 0.477 3238 V N 4.384 124.343 119.914 0.074 0.000 3.605 3238 V HA 0.623 4.764 4.120 0.034 0.000 0.284 3238 V C 0.834 176.684 176.094 -0.407 0.000 1.386 3238 V CA 1.193 63.499 62.300 0.011 0.000 1.053 3238 V CB 0.369 32.199 31.823 0.011 0.000 0.857 3238 V HN 0.925 nan 8.190 nan 0.000 0.436 3239 G N -1.059 107.382 108.800 -0.597 0.000 2.550 3239 G HA2 0.496 4.476 3.960 0.034 0.000 0.293 3239 G HA3 0.496 4.476 3.960 0.034 0.000 0.293 3239 G C -1.478 173.145 174.900 -0.462 0.000 1.402 3239 G CA -0.270 44.233 45.100 -0.994 0.000 0.784 3239 G HN 0.011 nan 8.290 nan 0.000 0.482 3240 S N -0.142 115.415 115.700 -0.238 0.000 2.449 3240 S HA 0.503 4.994 4.470 0.034 0.000 0.310 3240 S C -0.444 174.147 174.600 -0.016 0.000 1.096 3240 S CA -0.434 57.785 58.200 0.032 0.000 1.095 3240 S CB 1.737 65.059 63.200 0.204 0.000 1.007 3240 S HN 0.574 nan 8.310 nan 0.000 0.474 3241 E N 2.108 122.289 120.200 -0.032 0.000 2.290 3241 E HA 0.330 4.701 4.350 0.034 0.000 0.277 3241 E C -0.639 175.891 176.600 -0.117 0.000 1.035 3241 E CA 0.328 56.687 56.400 -0.069 0.000 0.873 3241 E CB 0.540 30.205 29.700 -0.058 0.000 1.029 3241 E HN 0.461 nan 8.360 nan 0.000 0.419 3242 T N 4.846 119.250 114.554 -0.250 0.000 2.876 3242 T HA 0.500 4.871 4.350 0.034 0.000 0.289 3242 T C -0.684 173.708 174.700 -0.513 0.000 1.014 3242 T CA -0.754 61.110 62.100 -0.394 0.000 0.986 3242 T CB 1.288 69.821 68.868 -0.558 0.000 1.021 3242 T HN 0.317 nan 8.240 nan 0.000 0.458 3243 R N 1.906 122.203 120.500 -0.338 0.000 2.561 3243 R HA 0.712 5.072 4.340 0.034 0.000 0.297 3243 R C -1.763 174.430 176.300 -0.179 0.000 0.969 3243 R CA -0.554 55.396 56.100 -0.251 0.000 0.879 3243 R CB 1.389 31.612 30.300 -0.128 0.000 1.178 3243 R HN 0.448 nan 8.270 nan 0.000 0.445 3244 V N 4.474 124.320 119.914 -0.114 0.000 2.487 3244 V HA 0.397 4.538 4.120 0.034 0.000 0.298 3244 V C -0.413 175.676 176.094 -0.008 0.000 1.028 3244 V CA -0.852 61.431 62.300 -0.028 0.000 0.860 3244 V CB 1.832 33.706 31.823 0.084 0.000 0.991 3244 V HN 0.683 nan 8.190 nan 0.000 0.427 3245 K N 2.978 123.363 120.400 -0.024 0.000 2.206 3245 K HA 0.605 4.946 4.320 0.034 0.000 0.264 3245 K C -0.900 175.694 176.600 -0.010 0.000 0.967 3245 K CA -0.712 55.583 56.287 0.012 0.000 0.844 3245 K CB 2.272 34.797 32.500 0.042 0.000 1.099 3245 K HN 0.461 nan 8.250 nan 0.000 0.441 3246 V N 4.433 124.345 119.914 -0.003 0.000 2.356 3246 V HA -0.003 4.138 4.120 0.034 0.000 0.258 3246 V C 0.993 177.012 176.094 -0.125 0.000 1.065 3246 V CA -0.015 62.244 62.300 -0.069 0.000 0.935 3246 V CB 0.838 32.606 31.823 -0.090 0.000 1.061 3246 V HN 0.683 nan 8.190 nan 0.000 0.484 3247 V N 4.216 124.074 119.914 -0.093 0.000 2.878 3247 V HA 0.137 4.278 4.120 0.034 0.000 0.250 3247 V C 0.891 176.851 176.094 -0.223 0.000 1.075 3247 V CA 1.210 63.488 62.300 -0.037 0.000 1.096 3247 V CB 0.111 32.003 31.823 0.115 0.000 0.724 3247 V HN 0.802 nan 8.190 nan 0.000 0.467 3248 K N 0.816 121.085 120.400 -0.218 0.000 2.501 3248 K HA 0.395 4.736 4.320 0.034 0.000 0.252 3248 K C -1.587 174.862 176.600 -0.251 0.000 0.934 3248 K CA -0.569 55.563 56.287 -0.257 0.000 0.797 3248 K CB 1.773 34.197 32.500 -0.127 0.000 1.270 3248 K HN 0.113 nan 8.250 nan 0.000 0.431 3249 N N 3.016 121.531 118.700 -0.309 0.000 2.503 3249 N HA 0.226 4.986 4.740 0.034 0.000 0.287 3249 N C -0.917 174.424 175.510 -0.281 0.000 1.096 3249 N CA -0.381 52.509 53.050 -0.267 0.000 0.936 3249 N CB 1.841 40.152 38.487 -0.293 0.000 1.570 3249 N HN 0.683 nan 8.380 nan 0.000 0.504 3250 K N 2.284 122.558 120.400 -0.211 0.000 2.353 3250 K HA 0.286 4.627 4.320 0.034 0.000 0.195 3250 K C 1.362 177.819 176.600 -0.240 0.000 1.031 3250 K CA 0.305 56.460 56.287 -0.219 0.000 1.079 3250 K CB 0.359 32.786 32.500 -0.121 0.000 0.857 3250 K HN 0.684 nan 8.250 nan 0.000 0.535 3251 I N -3.986 116.467 120.570 -0.196 0.000 4.181 3251 I HA 0.391 4.582 4.170 0.034 0.000 0.331 3251 I C 0.264 176.290 176.117 -0.152 0.000 1.312 3251 I CA -0.424 60.786 61.300 -0.150 0.000 1.146 3251 I CB 0.846 38.796 38.000 -0.083 0.000 1.074 3251 I HN -0.169 nan 8.210 nan 0.000 0.402 3252 A N 1.139 123.840 122.820 -0.198 0.000 2.564 3252 A HA 0.795 5.136 4.320 0.034 0.000 0.291 3252 A C -0.660 176.780 177.584 -0.241 0.000 1.102 3252 A CA -0.256 51.685 52.037 -0.159 0.000 0.660 3252 A CB 0.240 19.188 19.000 -0.087 0.000 1.283 3252 A HN 0.334 nan 8.150 nan 0.000 0.430 3253 A N 1.259 123.972 122.820 -0.179 0.000 2.561 3253 A HA 0.533 4.874 4.320 0.034 0.000 0.234 3253 A C -1.972 175.420 177.584 -0.320 0.000 1.055 3253 A CA -0.042 51.828 52.037 -0.278 0.000 0.756 3253 A CB -0.761 18.234 19.000 -0.009 0.000 0.986 3253 A HN 0.563 nan 8.150 nan 0.000 0.505 3254 P HA 0.560 nan 4.420 nan 0.000 0.284 3254 P C -0.183 176.937 177.300 -0.300 0.000 1.292 3254 P CA -0.315 62.436 63.100 -0.583 0.000 0.800 3254 P CB 0.237 31.292 31.700 -1.075 0.000 1.188 3255 F N -4.533 115.402 119.950 -0.025 0.000 2.699 3255 F HA -0.196 4.352 4.527 0.035 0.000 0.343 3255 F C 0.673 176.487 175.800 0.023 0.000 0.633 3255 F CA 0.623 58.632 58.000 0.016 0.000 1.365 3255 F CB -2.454 36.578 39.000 0.054 0.000 1.795 3255 F HN 0.231 nan 8.300 nan 0.000 0.304 3256 K N 1.217 121.692 120.400 0.124 0.000 2.107 3256 K HA 0.523 4.864 4.320 0.034 0.000 0.251 3256 K C 0.470 177.114 176.600 0.073 0.000 1.012 3256 K CA -0.296 56.046 56.287 0.092 0.000 0.920 3256 K CB 0.787 33.320 32.500 0.055 0.000 1.033 3256 K HN 0.420 nan 8.250 nan 0.000 0.478 3257 Q N -0.395 119.443 119.800 0.063 0.000 2.456 3257 Q HA 0.735 5.096 4.340 0.034 0.000 0.283 3257 Q C -1.729 174.301 176.000 0.051 0.000 1.084 3257 Q CA -1.305 54.528 55.803 0.050 0.000 0.801 3257 Q CB 2.058 30.820 28.738 0.041 0.000 1.434 3257 Q HN 0.529 nan 8.270 nan 0.000 0.419 3258 A N 1.157 124.013 122.820 0.060 0.000 2.365 3258 A HA 0.677 5.017 4.320 0.034 0.000 0.318 3258 A C -1.231 176.372 177.584 0.032 0.000 1.091 3258 A CA -0.616 51.483 52.037 0.104 0.000 0.763 3258 A CB 1.719 20.848 19.000 0.214 0.000 1.248 3258 A HN 0.743 nan 8.150 nan 0.000 0.442 3259 E N 0.442 120.665 120.200 0.038 0.000 2.234 3259 E HA 0.658 5.029 4.350 0.034 0.000 0.266 3259 E C -1.441 175.168 176.600 0.015 0.000 0.877 3259 E CA -0.308 56.029 56.400 -0.105 0.000 0.758 3259 E CB 1.966 31.626 29.700 -0.067 0.000 1.170 3259 E HN 0.611 nan 8.360 nan 0.000 0.415 3260 F N -0.957 118.986 119.950 -0.011 0.000 2.779 3260 F HA 0.441 4.989 4.527 0.034 0.000 0.316 3260 F C -1.140 174.653 175.800 -0.012 0.000 1.164 3260 F CA -1.215 56.773 58.000 -0.020 0.000 0.924 3260 F CB 0.909 39.895 39.000 -0.023 0.000 1.348 3260 F HN 0.150 nan 8.300 nan 0.000 0.467 3261 Q N 1.301 121.270 119.800 0.280 0.000 2.245 3261 Q HA 0.651 5.012 4.340 0.034 0.000 0.256 3261 Q C -1.142 175.017 176.000 0.264 0.000 0.942 3261 Q CA -0.759 55.139 55.803 0.158 0.000 0.896 3261 Q CB 2.839 31.616 28.738 0.065 0.000 1.272 3261 Q HN 0.581 nan 8.270 nan 0.000 0.442 3262 I N 3.526 124.197 120.570 0.169 0.000 2.328 3262 I HA 0.241 4.431 4.170 0.034 0.000 0.287 3262 I C -0.649 175.459 176.117 -0.014 0.000 1.012 3262 I CA -0.436 60.963 61.300 0.165 0.000 1.195 3262 I CB 0.699 38.847 38.000 0.247 0.000 1.350 3262 I HN 0.355 nan 8.210 nan 0.000 0.464 3263 L N 6.976 128.199 121.223 -0.001 0.000 2.275 3263 L HA 0.359 4.720 4.340 0.034 0.000 0.288 3263 L C -0.601 176.295 176.870 0.042 0.000 1.046 3263 L CA -0.897 53.885 54.840 -0.097 0.000 0.805 3263 L CB 0.396 42.443 42.059 -0.020 0.000 1.193 3263 L HN 0.375 nan 8.230 nan 0.000 0.426 3264 Y N 1.618 122.011 120.300 0.154 0.000 2.610 3264 Y HA 0.204 4.774 4.550 0.034 0.000 0.332 3264 Y C 1.504 177.531 175.900 0.211 0.000 1.201 3264 Y CA 0.199 58.421 58.100 0.204 0.000 1.465 3264 Y CB 0.013 38.563 38.460 0.150 0.000 1.283 3264 Y HN 0.857 nan 8.280 nan 0.000 0.563 3265 G N 1.699 110.810 108.800 0.518 0.000 2.168 3265 G HA2 -0.372 3.609 3.960 0.034 0.000 0.263 3265 G HA3 -0.372 3.609 3.960 0.034 0.000 0.263 3265 G C 0.774 175.714 174.900 0.067 0.000 0.977 3265 G CA 0.876 46.151 45.100 0.293 0.000 0.659 3265 G HN 0.725 nan 8.290 nan 0.000 0.533 3266 E N -1.731 118.508 120.200 0.065 0.000 2.571 3266 E HA 0.454 4.825 4.350 0.034 0.000 0.204 3266 E C 1.360 177.955 176.600 -0.009 0.000 0.851 3266 E CA 1.182 57.592 56.400 0.016 0.000 1.358 3266 E CB 0.508 30.238 29.700 0.050 0.000 1.327 3266 E HN 1.747 nan 8.360 nan 0.000 0.665 3267 G N 0.958 109.784 108.800 0.043 0.000 2.428 3267 G HA2 -0.173 3.808 3.960 0.034 0.000 0.202 3267 G HA3 -0.173 3.808 3.960 0.034 0.000 0.202 3267 G C -0.603 174.339 174.900 0.069 0.000 1.247 3267 G CA -0.413 44.714 45.100 0.045 0.000 1.020 3267 G HN 0.171 nan 8.290 nan 0.000 0.529 3268 I N 1.864 122.455 120.570 0.035 0.000 2.680 3268 I HA -0.021 4.169 4.170 0.034 0.000 0.286 3268 I C 0.970 177.106 176.117 0.031 0.000 1.144 3268 I CA -0.129 61.173 61.300 0.004 0.000 1.370 3268 I CB 0.124 38.005 38.000 -0.198 0.000 1.420 3268 I HN 0.472 nan 8.210 nan 0.000 0.540 3269 N N 6.672 125.416 118.700 0.073 0.000 2.349 3269 N HA -0.182 4.579 4.740 0.034 0.000 0.296 3269 N C 0.678 176.224 175.510 0.059 0.000 1.304 3269 N CA 0.479 53.579 53.050 0.084 0.000 1.051 3269 N CB -0.084 38.451 38.487 0.081 0.000 1.466 3269 N HN 0.496 nan 8.380 nan 0.000 0.487 3270 F N 3.906 123.787 119.950 -0.114 0.000 2.102 3270 F HA -0.194 4.354 4.527 0.034 0.000 0.298 3270 F C 0.986 176.660 175.800 -0.209 0.000 1.105 3270 F CA 1.508 59.371 58.000 -0.229 0.000 1.239 3270 F CB -0.193 38.576 39.000 -0.386 0.000 0.991 3270 F HN 0.456 nan 8.300 nan 0.000 0.474 3271 Y N 0.461 120.818 120.300 0.095 0.000 2.352 3271 Y HA 0.022 4.593 4.550 0.034 0.000 0.292 3271 Y C 2.633 178.476 175.900 -0.095 0.000 1.136 3271 Y CA 0.936 59.034 58.100 -0.004 0.000 1.227 3271 Y CB -1.273 37.236 38.460 0.081 0.000 0.991 3271 Y HN 0.144 nan 8.280 nan 0.000 0.545 3272 G N 0.004 108.838 108.800 0.057 0.000 2.459 3272 G HA2 -0.257 3.724 3.960 0.034 0.000 0.217 3272 G HA3 -0.257 3.724 3.960 0.034 0.000 0.217 3272 G C 1.490 176.358 174.900 -0.053 0.000 1.183 3272 G CA 1.083 46.184 45.100 0.001 0.000 0.776 3272 G HN 0.400 nan 8.290 nan 0.000 0.552 3273 E N -0.266 119.865 120.200 -0.114 0.000 2.070 3273 E HA -0.159 4.212 4.350 0.034 0.000 0.197 3273 E C 2.399 178.884 176.600 -0.192 0.000 1.004 3273 E CA 0.930 57.238 56.400 -0.153 0.000 0.805 3273 E CB -0.235 29.308 29.700 -0.262 0.000 0.744 3273 E HN 0.304 nan 8.360 nan 0.000 0.451 3274 L N 0.670 121.715 121.223 -0.297 0.000 2.042 3274 L HA -0.179 4.182 4.340 0.034 0.000 0.210 3274 L C 2.210 179.039 176.870 -0.068 0.000 1.076 3274 L CA 1.379 56.090 54.840 -0.216 0.000 0.749 3274 L CB -0.392 41.545 42.059 -0.204 0.000 0.893 3274 L HN -0.023 nan 8.230 nan 0.000 0.432 3275 V N -0.219 119.669 119.914 -0.043 0.000 2.233 3275 V HA -0.325 3.816 4.120 0.034 0.000 0.247 3275 V C 2.322 178.429 176.094 0.022 0.000 1.050 3275 V CA 2.063 64.347 62.300 -0.027 0.000 1.010 3275 V CB -0.782 30.965 31.823 -0.126 0.000 0.637 3275 V HN 0.422 nan 8.190 nan 0.000 0.444 3276 D N -0.039 120.367 120.400 0.011 0.000 2.116 3276 D HA -0.160 4.501 4.640 0.034 0.000 0.193 3276 D C 2.059 178.382 176.300 0.039 0.000 0.998 3276 D CA 1.149 55.174 54.000 0.043 0.000 0.836 3276 D CB -0.373 40.444 40.800 0.028 0.000 0.951 3276 D HN 0.157 nan 8.370 nan 0.000 0.449 3277 L N 0.686 121.912 121.223 0.005 0.000 2.046 3277 L HA -0.050 4.311 4.340 0.034 0.000 0.208 3277 L C 2.538 179.427 176.870 0.033 0.000 1.077 3277 L CA 1.710 56.554 54.840 0.007 0.000 0.747 3277 L CB -1.650 40.390 42.059 -0.031 0.000 0.896 3277 L HN 0.086 nan 8.230 nan 0.000 0.432 3278 G N -1.091 107.733 108.800 0.040 0.000 2.446 3278 G HA2 -0.197 3.784 3.960 0.034 0.000 0.217 3278 G HA3 -0.197 3.784 3.960 0.034 0.000 0.217 3278 G C 1.759 176.722 174.900 0.105 0.000 1.168 3278 G CA 1.044 46.190 45.100 0.076 0.000 0.771 3278 G HN 0.277 nan 8.290 nan 0.000 0.551 3279 V N 0.802 120.787 119.914 0.118 0.000 2.307 3279 V HA -0.142 3.999 4.120 0.034 0.000 0.245 3279 V C 2.698 178.842 176.094 0.083 0.000 1.045 3279 V CA 2.195 64.570 62.300 0.126 0.000 1.024 3279 V CB -0.374 31.552 31.823 0.173 0.000 0.651 3279 V HN 0.404 nan 8.190 nan 0.000 0.449 3280 K N -0.110 120.331 120.400 0.069 0.000 2.103 3280 K HA -0.199 4.142 4.320 0.034 0.000 0.207 3280 K C 1.746 178.375 176.600 0.048 0.000 1.048 3280 K CA 1.451 57.769 56.287 0.051 0.000 0.930 3280 K CB -0.018 32.508 32.500 0.043 0.000 0.716 3280 K HN 0.364 nan 8.250 nan 0.000 0.444 3281 E N 0.776 121.008 120.200 0.054 0.000 2.476 3281 E HA -0.013 4.358 4.350 0.034 0.000 0.191 3281 E C -0.225 176.411 176.600 0.060 0.000 1.064 3281 E CA 0.145 56.577 56.400 0.053 0.000 0.866 3281 E CB 0.452 30.184 29.700 0.053 0.000 0.952 3281 E HN 0.189 nan 8.360 nan 0.000 0.492 3282 K N -0.160 120.279 120.400 0.064 0.000 3.160 3282 K HA -0.194 4.146 4.320 0.034 0.000 0.280 3282 K C 0.889 177.537 176.600 0.081 0.000 1.154 3282 K CA 0.451 56.776 56.287 0.062 0.000 0.822 3282 K CB -2.130 30.396 32.500 0.042 0.000 1.239 3282 K HN 0.255 nan 8.250 nan 0.000 0.489 3283 L N -0.571 120.724 121.223 0.119 0.000 2.298 3283 L HA 0.235 4.595 4.340 0.034 0.000 0.209 3283 L C 1.150 178.178 176.870 0.264 0.000 1.084 3283 L CA 0.450 55.401 54.840 0.184 0.000 0.816 3283 L CB 0.175 42.362 42.059 0.212 0.000 0.967 3283 L HN 0.104 nan 8.230 nan 0.000 0.460 3284 I N 0.007 120.712 120.570 0.225 0.000 2.378 3284 I HA 0.203 4.394 4.170 0.034 0.000 0.291 3284 I C -0.193 176.023 176.117 0.165 0.000 0.992 3284 I CA -0.550 60.901 61.300 0.252 0.000 1.154 3284 I CB 2.038 40.188 38.000 0.251 0.000 1.315 3284 I HN -0.080 nan 8.210 nan 0.000 0.448 3285 E N 6.068 126.344 120.200 0.126 0.000 2.301 3285 E HA 0.267 4.638 4.350 0.034 0.000 0.275 3285 E C -0.762 175.845 176.600 0.012 0.000 1.030 3285 E CA -0.336 56.096 56.400 0.053 0.000 0.852 3285 E CB 1.014 30.726 29.700 0.020 0.000 1.060 3285 E HN 0.321 nan 8.360 nan 0.000 0.401 3286 K N 2.731 123.093 120.400 -0.064 0.000 2.616 3286 K HA 0.527 4.868 4.320 0.034 0.000 0.241 3286 K C -1.730 174.784 176.600 -0.143 0.000 0.961 3286 K CA -0.634 55.521 56.287 -0.221 0.000 0.942 3286 K CB 1.088 33.385 32.500 -0.339 0.000 1.153 3286 K HN 0.505 nan 8.250 nan 0.000 0.452 3287 A N 3.391 126.157 122.820 -0.089 0.000 2.412 3287 A HA 0.605 4.945 4.320 0.034 0.000 0.334 3287 A C 0.796 178.376 177.584 -0.006 0.000 1.419 3287 A CA 0.380 52.399 52.037 -0.029 0.000 0.930 3287 A CB 0.122 19.123 19.000 0.003 0.000 1.149 3287 A HN 1.022 nan 8.150 nan 0.000 0.515 3288 G N 1.965 110.738 108.800 -0.045 0.000 2.687 3288 G HA2 -0.072 3.909 3.960 0.034 0.000 0.303 3288 G HA3 -0.072 3.909 3.960 0.034 0.000 0.303 3288 G C 1.296 176.131 174.900 -0.110 0.000 1.209 3288 G CA 0.897 45.971 45.100 -0.042 0.000 0.968 3288 G HN 1.988 nan 8.290 nan 0.000 0.549 3289 A N -0.862 121.898 122.820 -0.100 0.000 2.303 3289 A HA 0.514 4.855 4.320 0.034 0.000 0.217 3289 A C 0.614 178.043 177.584 -0.259 0.000 1.205 3289 A CA 0.454 52.378 52.037 -0.188 0.000 0.875 3289 A CB 0.047 18.931 19.000 -0.194 0.000 0.910 3289 A HN 0.564 nan 8.150 nan 0.000 0.501 3290 W N -0.122 121.088 121.300 -0.149 0.000 2.335 3290 W HA 0.503 5.184 4.660 0.034 0.000 0.306 3290 W C -0.730 175.670 176.519 -0.199 0.000 1.216 3290 W CA -0.093 57.195 57.345 -0.095 0.000 1.237 3290 W CB 0.365 29.786 29.460 -0.065 0.000 1.243 3290 W HN 0.233 nan 8.180 nan 0.000 0.493 3291 Y N 2.574 123.014 120.300 0.233 0.000 2.320 3291 Y HA 0.447 5.018 4.550 0.034 0.000 0.334 3291 Y C 0.502 176.461 175.900 0.097 0.000 1.055 3291 Y CA -0.328 57.843 58.100 0.120 0.000 1.143 3291 Y CB 1.387 39.875 38.460 0.047 0.000 1.193 3291 Y HN 0.140 nan 8.280 nan 0.000 0.477 3292 S N 2.427 118.232 115.700 0.174 0.000 2.526 3292 S HA 0.422 4.913 4.470 0.034 0.000 0.293 3292 S C -1.957 172.709 174.600 0.109 0.000 1.092 3292 S CA -0.800 57.439 58.200 0.066 0.000 0.980 3292 S CB 1.360 64.566 63.200 0.009 0.000 1.048 3292 S HN 0.493 nan 8.310 nan 0.000 0.483 3293 Y N 2.632 122.862 120.300 -0.117 0.000 2.350 3293 Y HA 0.376 4.947 4.550 0.034 0.000 0.338 3293 Y C 0.151 176.028 175.900 -0.038 0.000 0.961 3293 Y CA -1.049 57.015 58.100 -0.060 0.000 1.100 3293 Y CB 0.687 39.108 38.460 -0.064 0.000 1.179 3293 Y HN 0.798 nan 8.280 nan 0.000 0.454 3294 K N 4.852 124.917 120.400 -0.558 0.000 3.177 3294 K HA -0.274 4.067 4.320 0.034 0.000 0.266 3294 K C 0.960 177.440 176.600 -0.200 0.000 0.937 3294 K CA 1.017 57.042 56.287 -0.437 0.000 0.702 3294 K CB -1.672 30.482 32.500 -0.577 0.000 1.365 3294 K HN 1.295 nan 8.250 nan 0.000 0.466 3295 G N -0.121 108.595 108.800 -0.139 0.000 2.320 3295 G HA2 -0.348 3.632 3.960 0.034 0.000 0.242 3295 G HA3 -0.348 3.632 3.960 0.034 0.000 0.242 3295 G C -0.105 174.739 174.900 -0.094 0.000 1.033 3295 G CA 0.432 45.472 45.100 -0.100 0.000 0.620 3295 G HN 0.459 nan 8.290 nan 0.000 0.517 3296 E N 1.552 121.699 120.200 -0.088 0.000 2.200 3296 E HA 0.377 4.748 4.350 0.034 0.000 0.283 3296 E C 0.079 176.598 176.600 -0.135 0.000 1.015 3296 E CA -0.505 55.841 56.400 -0.090 0.000 0.819 3296 E CB 0.424 30.100 29.700 -0.039 0.000 1.081 3296 E HN 0.370 nan 8.360 nan 0.000 0.397 3297 K N 4.147 124.457 120.400 -0.150 0.000 2.412 3297 K HA 0.075 4.416 4.320 0.034 0.000 0.281 3297 K C 1.159 177.644 176.600 -0.192 0.000 1.027 3297 K CA 0.189 56.401 56.287 -0.125 0.000 0.989 3297 K CB 0.528 32.891 32.500 -0.229 0.000 0.935 3297 K HN 0.535 nan 8.250 nan 0.000 0.475 3298 I N -1.518 118.919 120.570 -0.222 0.000 4.187 3298 I HA 0.330 4.521 4.170 0.034 0.000 0.326 3298 I C 0.554 176.560 176.117 -0.184 0.000 1.302 3298 I CA -0.323 60.586 61.300 -0.651 0.000 1.196 3298 I CB 1.039 38.341 38.000 -1.164 0.000 1.095 3298 I HN 0.566 nan 8.210 nan 0.000 0.411 3299 G N 1.365 110.253 108.800 0.146 0.000 2.384 3299 G HA2 0.182 4.163 3.960 0.034 0.000 0.300 3299 G HA3 0.182 4.163 3.960 0.034 0.000 0.300 3299 G C -2.085 172.796 174.900 -0.031 0.000 1.582 3299 G CA -0.693 44.474 45.100 0.113 0.000 0.875 3299 G HN 0.207 nan 8.290 nan 0.000 0.628 3300 Q N 0.408 119.903 119.800 -0.507 0.000 2.303 3300 Q HA 0.553 4.914 4.340 0.034 0.000 0.257 3300 Q C 0.462 176.291 176.000 -0.284 0.000 0.941 3300 Q CA 0.558 55.881 55.803 -0.801 0.000 0.931 3300 Q CB 1.087 29.001 28.738 -1.373 0.000 1.215 3300 Q HN 2.392 nan 8.270 nan 0.000 0.437 3301 G N 3.012 111.783 108.800 -0.049 0.000 2.722 3301 G HA2 -0.255 3.725 3.960 0.034 0.000 0.686 3301 G HA3 -0.255 3.725 3.960 0.034 0.000 0.686 3301 G C 0.012 174.930 174.900 0.030 0.000 1.282 3301 G CA -0.027 45.109 45.100 0.058 0.000 0.817 3301 G HN 0.795 nan 8.290 nan 0.000 0.605 3302 K N 0.994 121.404 120.400 0.016 0.000 2.074 3302 K HA -0.043 4.298 4.320 0.034 0.000 0.209 3302 K C 2.978 179.463 176.600 -0.192 0.000 1.048 3302 K CA 2.525 58.670 56.287 -0.236 0.000 0.926 3302 K CB -0.353 32.100 32.500 -0.077 0.000 0.713 3302 K HN 1.186 nan 8.250 nan 0.000 0.444 3303 A N 1.259 124.023 122.820 -0.093 0.000 1.892 3303 A HA -0.259 4.082 4.320 0.034 0.000 0.218 3303 A C 1.786 179.334 177.584 -0.060 0.000 1.188 3303 A CA 2.161 54.161 52.037 -0.062 0.000 0.631 3303 A CB -0.855 18.121 19.000 -0.041 0.000 0.822 3303 A HN 0.561 nan 8.150 nan 0.000 0.447 3304 N N -0.524 118.134 118.700 -0.070 0.000 2.250 3304 N HA 0.028 4.789 4.740 0.034 0.000 0.181 3304 N C 2.012 177.518 175.510 -0.008 0.000 1.017 3304 N CA 0.764 53.795 53.050 -0.031 0.000 0.866 3304 N CB -0.202 38.259 38.487 -0.044 0.000 0.985 3304 N HN 0.495 nan 8.380 nan 0.000 0.429 3305 A N 0.863 123.614 122.820 -0.114 0.000 1.902 3305 A HA -0.149 4.191 4.320 0.034 0.000 0.217 3305 A C 2.274 179.846 177.584 -0.020 0.000 1.181 3305 A CA 1.746 53.709 52.037 -0.124 0.000 0.623 3305 A CB -1.030 17.660 19.000 -0.517 0.000 0.818 3305 A HN 0.208 nan 8.150 nan 0.000 0.443 3306 T N 0.509 115.017 114.554 -0.078 0.000 2.684 3306 T HA -0.088 4.283 4.350 0.034 0.000 0.267 3306 T C 2.233 176.916 174.700 -0.028 0.000 1.036 3306 T CA 1.816 63.905 62.100 -0.018 0.000 1.148 3306 T CB -0.577 68.285 68.868 -0.009 0.000 0.863 3306 T HN 0.628 nan 8.240 nan 0.000 0.436 3307 A N 0.313 123.126 122.820 -0.011 0.000 1.940 3307 A HA -0.142 4.198 4.320 0.034 0.000 0.219 3307 A C 2.058 179.628 177.584 -0.023 0.000 1.176 3307 A CA 1.688 53.710 52.037 -0.025 0.000 0.631 3307 A CB -1.174 17.831 19.000 0.009 0.000 0.814 3307 A HN 0.714 nan 8.150 nan 0.000 0.446 3308 W N 0.460 121.692 121.300 -0.113 0.000 2.355 3308 W HA -0.123 4.558 4.660 0.034 0.000 0.309 3308 W C 1.840 178.267 176.519 -0.153 0.000 1.206 3308 W CA 1.855 59.144 57.345 -0.094 0.000 1.284 3308 W CB -0.278 29.159 29.460 -0.039 0.000 1.145 3308 W HN 0.256 nan 8.180 nan 0.000 0.502 3309 L N 0.555 121.772 121.223 -0.010 0.000 2.046 3309 L HA -0.238 4.122 4.340 0.034 0.000 0.208 3309 L C 2.571 179.034 176.870 -0.678 0.000 1.077 3309 L CA 1.670 56.356 54.840 -0.257 0.000 0.747 3309 L CB -0.947 41.096 42.059 -0.026 0.000 0.896 3309 L HN -0.082 nan 8.230 nan 0.000 0.432 3310 K N -0.115 119.776 120.400 -0.848 0.000 2.113 3310 K HA -0.250 4.090 4.320 0.034 0.000 0.208 3310 K C 1.593 177.889 176.600 -0.507 0.000 1.047 3310 K CA 1.902 57.636 56.287 -0.922 0.000 0.928 3310 K CB -0.016 32.178 32.500 -0.510 0.000 0.716 3310 K HN 0.190 nan 8.250 nan 0.000 0.446 3311 D N -0.261 119.873 120.400 -0.443 0.000 2.249 3311 D HA -0.028 4.633 4.640 0.034 0.000 0.205 3311 D C -0.427 175.602 176.300 -0.452 0.000 0.962 3311 D CA 0.667 54.441 54.000 -0.377 0.000 0.860 3311 D CB 0.203 40.802 40.800 -0.335 0.000 0.955 3311 D HN 0.098 nan 8.370 nan 0.000 0.505 3312 N N 0.010 118.329 118.700 -0.635 0.000 2.976 3312 N HA 0.212 4.973 4.740 0.034 0.000 0.255 3312 N C -2.163 173.124 175.510 -0.372 0.000 1.312 3312 N CA -1.138 51.555 53.050 -0.595 0.000 0.897 3312 N CB 1.781 39.632 38.487 -1.060 0.000 1.184 3312 N HN 0.009 nan 8.380 nan 0.000 0.497 3313 P HA -0.116 nan 4.420 nan 0.000 0.221 3313 P C 0.897 178.170 177.300 -0.044 0.000 1.150 3313 P CA 1.053 64.097 63.100 -0.094 0.000 0.800 3313 P CB 0.465 32.130 31.700 -0.058 0.000 0.787 3314 E N -0.509 119.650 120.200 -0.069 0.000 2.072 3314 E HA -0.103 4.267 4.350 0.034 0.000 0.191 3314 E C 1.827 178.422 176.600 -0.007 0.000 0.985 3314 E CA 1.480 57.864 56.400 -0.026 0.000 0.801 3314 E CB -1.765 27.921 29.700 -0.024 0.000 0.750 3314 E HN 0.250 nan 8.360 nan 0.000 0.452 3315 T N 1.738 116.267 114.554 -0.041 0.000 2.821 3315 T HA -0.025 4.346 4.350 0.034 0.000 0.267 3315 T C 2.051 176.728 174.700 -0.037 0.000 1.046 3315 T CA 1.396 63.488 62.100 -0.013 0.000 1.139 3315 T CB -0.253 68.612 68.868 -0.005 0.000 0.871 3315 T HN 0.316 nan 8.240 nan 0.000 0.454 3316 A N 2.175 124.981 122.820 -0.023 0.000 1.883 3316 A HA -0.156 4.185 4.320 0.034 0.000 0.217 3316 A C 2.303 179.955 177.584 0.113 0.000 1.186 3316 A CA 1.321 53.411 52.037 0.089 0.000 0.624 3316 A CB -0.349 18.795 19.000 0.239 0.000 0.822 3316 A HN 0.202 nan 8.150 nan 0.000 0.444 3317 K N -0.160 120.293 120.400 0.089 0.000 2.063 3317 K HA -0.187 4.154 4.320 0.034 0.000 0.208 3317 K C 1.922 178.562 176.600 0.068 0.000 1.048 3317 K CA 1.667 58.000 56.287 0.077 0.000 0.928 3317 K CB -0.567 31.961 32.500 0.046 0.000 0.713 3317 K HN 0.798 nan 8.250 nan 0.000 0.442 3318 E N 0.636 120.872 120.200 0.060 0.000 2.058 3318 E HA -0.158 4.212 4.350 0.034 0.000 0.194 3318 E C 2.107 178.755 176.600 0.080 0.000 0.997 3318 E CA 1.078 57.524 56.400 0.077 0.000 0.801 3318 E CB -0.053 29.711 29.700 0.107 0.000 0.746 3318 E HN 0.231 nan 8.360 nan 0.000 0.450 3319 I N 0.954 121.549 120.570 0.042 0.000 2.226 3319 I HA -0.243 3.947 4.170 0.034 0.000 0.245 3319 I C 2.727 178.876 176.117 0.055 0.000 1.100 3319 I CA 1.280 62.602 61.300 0.036 0.000 1.374 3319 I CB -0.394 37.571 38.000 -0.058 0.000 1.057 3319 I HN 0.261 nan 8.210 nan 0.000 0.413 3320 E N 1.577 121.817 120.200 0.066 0.000 2.077 3320 E HA -0.307 4.064 4.350 0.034 0.000 0.193 3320 E C 2.228 178.868 176.600 0.067 0.000 0.989 3320 E CA 1.480 57.924 56.400 0.075 0.000 0.800 3320 E CB 0.012 29.799 29.700 0.144 0.000 0.746 3320 E HN 0.331 nan 8.360 nan 0.000 0.452 3321 K N 0.676 121.116 120.400 0.067 0.000 2.063 3321 K HA -0.203 4.138 4.320 0.034 0.000 0.208 3321 K C 2.099 178.731 176.600 0.054 0.000 1.048 3321 K CA 1.691 58.011 56.287 0.056 0.000 0.928 3321 K CB 0.065 32.598 32.500 0.054 0.000 0.713 3321 K HN -0.044 nan 8.250 nan 0.000 0.442 3322 K N -0.048 120.390 120.400 0.064 0.000 2.057 3322 K HA -0.068 4.273 4.320 0.034 0.000 0.206 3322 K C 1.948 178.580 176.600 0.054 0.000 1.050 3322 K CA 1.188 57.514 56.287 0.065 0.000 0.935 3322 K CB 0.052 32.605 32.500 0.088 0.000 0.715 3322 K HN -0.037 nan 8.250 nan 0.000 0.439 3323 V N 1.343 121.287 119.914 0.050 0.000 2.407 3323 V HA -0.265 3.876 4.120 0.034 0.000 0.248 3323 V C 2.176 178.288 176.094 0.030 0.000 1.055 3323 V CA 1.720 64.041 62.300 0.035 0.000 1.049 3323 V CB -0.438 31.395 31.823 0.017 0.000 0.662 3323 V HN 0.271 nan 8.190 nan 0.000 0.455 3324 R N -0.270 120.249 120.500 0.033 0.000 2.066 3324 R HA -0.143 4.218 4.340 0.034 0.000 0.232 3324 R C 2.355 178.673 176.300 0.030 0.000 1.131 3324 R CA 1.599 57.717 56.100 0.030 0.000 0.955 3324 R CB -0.298 30.023 30.300 0.034 0.000 0.851 3324 R HN 0.596 nan 8.270 nan 0.000 0.432 3325 E N 0.605 120.825 120.200 0.033 0.000 2.085 3325 E HA -0.205 4.166 4.350 0.034 0.000 0.194 3325 E C 1.980 178.599 176.600 0.031 0.000 0.994 3325 E CA 1.122 57.541 56.400 0.032 0.000 0.801 3325 E CB -0.072 29.649 29.700 0.035 0.000 0.743 3325 E HN 0.287 nan 8.360 nan 0.000 0.453 3326 L N -0.010 121.233 121.223 0.034 0.000 2.156 3326 L HA -0.109 4.251 4.340 0.034 0.000 0.208 3326 L C 2.023 178.911 176.870 0.030 0.000 1.095 3326 L CA 0.783 55.642 54.840 0.033 0.000 0.770 3326 L CB 0.073 42.154 42.059 0.037 0.000 0.914 3326 L HN 0.149 nan 8.230 nan 0.000 0.439 3327 L N -1.377 119.862 121.223 0.028 0.000 2.749 3327 L HA 0.185 4.546 4.340 0.034 0.000 0.242 3327 L C 0.383 177.267 176.870 0.023 0.000 1.103 3327 L CA -0.273 54.582 54.840 0.025 0.000 0.906 3327 L CB 0.505 42.578 42.059 0.023 0.000 1.228 3327 L HN 0.049 nan 8.230 nan 0.000 0.517 3328 L N 0.145 121.382 121.223 0.022 0.000 2.361 3328 L HA 0.073 4.434 4.340 0.034 0.000 0.278 3328 L C 1.487 178.370 176.870 0.022 0.000 1.113 3328 L CA 0.073 54.925 54.840 0.020 0.000 0.849 3328 L CB 1.456 43.527 42.059 0.019 0.000 1.155 3328 L HN 0.040 nan 8.230 nan 0.000 0.452 3329 S N 2.844 118.557 115.700 0.022 0.000 2.362 3329 S HA -0.028 4.463 4.470 0.034 0.000 0.221 3329 S C 0.928 175.544 174.600 0.026 0.000 1.032 3329 S CA 0.409 58.624 58.200 0.026 0.000 0.973 3329 S CB 0.058 63.274 63.200 0.027 0.000 0.849 3329 S HN 0.743 nan 8.310 nan 0.000 0.465 3330 N N 1.904 120.618 118.700 0.023 0.000 2.326 3330 N HA 0.185 4.946 4.740 0.034 0.000 0.239 3330 N C -2.161 173.362 175.510 0.022 0.000 1.301 3330 N CA -0.748 52.316 53.050 0.024 0.000 0.909 3330 N CB 0.198 38.696 38.487 0.020 0.000 1.156 3330 N HN 0.244 nan 8.380 nan 0.000 0.462 3331 P HA 0.230 nan 4.420 nan 0.000 0.253 3331 P C -0.673 176.636 177.300 0.014 0.000 1.459 3331 P CA 0.449 63.559 63.100 0.017 0.000 0.908 3331 P CB 0.323 32.033 31.700 0.016 0.000 1.470 3332 N N -1.197 117.512 118.700 0.015 0.000 1.986 3332 N HA 0.017 4.778 4.740 0.034 0.000 0.227 3332 N C 0.402 175.918 175.510 0.010 0.000 1.387 3332 N CA 0.201 53.258 53.050 0.012 0.000 0.810 3332 N CB 0.715 39.209 38.487 0.012 0.000 1.140 3332 N HN 0.164 nan 8.380 nan 0.000 0.504 4002 I N 1.516 122.086 120.570 -0.000 0.000 2.406 4002 I HA -0.049 4.142 4.170 0.034 0.000 0.249 4002 I C 1.920 178.037 176.117 -0.000 0.000 1.122 4002 I CA 1.658 62.958 61.300 0.000 0.000 1.431 4002 I CB -0.114 37.886 38.000 -0.000 0.000 1.087 4002 I HN 0.481 nan 8.210 nan 0.000 0.424 4003 D N 0.458 120.857 120.400 -0.001 0.000 2.354 4003 D HA -0.092 4.569 4.640 0.034 0.000 0.209 4003 D C 1.579 177.878 176.300 -0.001 0.000 1.015 4003 D CA 0.538 54.537 54.000 -0.002 0.000 0.867 4003 D CB -0.196 40.602 40.800 -0.003 0.000 0.933 4003 D HN 0.354 nan 8.370 nan 0.000 0.520 4004 E N -0.058 120.141 120.200 -0.001 0.000 2.299 4004 E HA 0.030 4.401 4.350 0.034 0.000 0.193 4004 E C 1.475 178.075 176.600 0.001 0.000 0.998 4004 E CA 0.141 56.541 56.400 -0.000 0.000 0.851 4004 E CB 0.127 29.827 29.700 -0.000 0.000 0.795 4004 E HN 0.148 nan 8.360 nan 0.000 0.492 4005 N N 0.880 119.581 118.700 0.001 0.000 2.270 4005 N HA -0.078 4.682 4.740 0.034 0.000 0.181 4005 N C 1.372 176.883 175.510 0.002 0.000 1.016 4005 N CA 0.808 53.859 53.050 0.002 0.000 0.870 4005 N CB 0.088 38.577 38.487 0.003 0.000 0.979 4005 N HN 0.110 nan 8.380 nan 0.000 0.431 4006 K N 1.076 121.477 120.400 0.001 0.000 2.002 4006 K HA -0.094 4.246 4.320 0.034 0.000 0.209 4006 K C 2.030 178.631 176.600 0.001 0.000 1.048 4006 K CA 1.165 57.452 56.287 0.001 0.000 0.930 4006 K CB -0.090 32.410 32.500 -0.001 0.000 0.714 4006 K HN 0.257 nan 8.250 nan 0.000 0.438 4007 Q N 0.593 120.393 119.800 0.001 0.000 2.119 4007 Q HA -0.155 4.205 4.340 0.034 0.000 0.201 4007 Q C 2.163 178.164 176.000 0.002 0.000 0.972 4007 Q CA 1.157 56.961 55.803 0.001 0.000 0.847 4007 Q CB 0.002 28.741 28.738 0.000 0.000 0.903 4007 Q HN 0.209 nan 8.270 nan 0.000 0.433 4008 K N 0.784 121.186 120.400 0.002 0.000 2.009 4008 K HA -0.165 4.175 4.320 0.034 0.000 0.210 4008 K C 1.970 178.572 176.600 0.004 0.000 1.049 4008 K CA 1.436 57.725 56.287 0.003 0.000 0.929 4008 K CB -0.163 32.339 32.500 0.002 0.000 0.714 4008 K HN 0.153 nan 8.250 nan 0.000 0.440 4009 A N 1.377 124.199 122.820 0.004 0.000 1.969 4009 A HA -0.104 4.237 4.320 0.034 0.000 0.218 4009 A C 2.068 179.656 177.584 0.006 0.000 1.169 4009 A CA 1.044 53.084 52.037 0.005 0.000 0.635 4009 A CB -0.460 18.544 19.000 0.005 0.000 0.810 4009 A HN 0.395 nan 8.150 nan 0.000 0.445 4010 L N -0.117 121.110 121.223 0.005 0.000 1.994 4010 L HA -0.046 4.315 4.340 0.034 0.000 0.208 4010 L C 2.722 179.598 176.870 0.009 0.000 1.071 4010 L CA 2.272 57.116 54.840 0.007 0.000 0.745 4010 L CB -0.865 41.197 42.059 0.004 0.000 0.892 4010 L HN 0.323 nan 8.230 nan 0.000 0.431 4011 A N -0.462 122.363 122.820 0.007 0.000 1.908 4011 A HA -0.190 4.151 4.320 0.034 0.000 0.218 4011 A C 2.437 180.027 177.584 0.009 0.000 1.181 4011 A CA 2.168 54.210 52.037 0.008 0.000 0.627 4011 A CB -1.284 17.720 19.000 0.006 0.000 0.818 4011 A HN 0.620 nan 8.150 nan 0.000 0.445 4012 A N -0.256 122.569 122.820 0.008 0.000 1.877 4012 A HA 0.159 4.500 4.320 0.034 0.000 0.216 4012 A C 2.539 180.129 177.584 0.011 0.000 1.186 4012 A CA 2.210 54.251 52.037 0.008 0.000 0.620 4012 A CB -1.089 17.914 19.000 0.006 0.000 0.822 4012 A HN 1.106 nan 8.150 nan 0.000 0.443 4013 A N -0.779 122.050 122.820 0.015 0.000 1.902 4013 A HA 0.003 4.344 4.320 0.034 0.000 0.217 4013 A C 2.046 179.649 177.584 0.032 0.000 1.181 4013 A CA 1.693 53.743 52.037 0.022 0.000 0.623 4013 A CB -0.566 18.447 19.000 0.021 0.000 0.818 4013 A HN 0.390 nan 8.150 nan 0.000 0.443 4014 L N -0.045 121.194 121.223 0.028 0.000 2.012 4014 L HA -0.094 4.267 4.340 0.034 0.000 0.210 4014 L C 2.776 179.666 176.870 0.034 0.000 1.073 4014 L CA 2.049 56.909 54.840 0.033 0.000 0.748 4014 L CB -1.280 40.793 42.059 0.024 0.000 0.891 4014 L HN 0.400 nan 8.230 nan 0.000 0.431 4015 G N -1.740 107.073 108.800 0.022 0.000 2.442 4015 G HA2 -0.362 3.619 3.960 0.034 0.000 0.219 4015 G HA3 -0.362 3.619 3.960 0.034 0.000 0.219 4015 G C 1.575 176.481 174.900 0.010 0.000 1.141 4015 G CA 0.966 46.075 45.100 0.015 0.000 0.763 4015 G HN 0.395 nan 8.290 nan 0.000 0.554 4016 Q N 0.297 120.103 119.800 0.010 0.000 2.050 4016 Q HA 0.014 4.374 4.340 0.034 0.000 0.202 4016 Q C 2.439 178.439 176.000 -0.001 0.000 0.980 4016 Q CA 1.236 57.036 55.803 -0.005 0.000 0.840 4016 Q CB -0.363 28.376 28.738 0.002 0.000 0.898 4016 Q HN 0.555 nan 8.270 nan 0.000 0.424 4017 I N 0.438 121.046 120.570 0.064 0.000 2.208 4017 I HA -0.277 3.913 4.170 0.034 0.000 0.245 4017 I C 2.158 178.372 176.117 0.162 0.000 1.097 4017 I CA 1.533 62.939 61.300 0.176 0.000 1.363 4017 I CB -0.302 37.815 38.000 0.195 0.000 1.051 4017 I HN 0.311 nan 8.210 nan 0.000 0.413 4018 E N 0.532 120.786 120.200 0.089 0.000 2.106 4018 E HA -0.245 4.126 4.350 0.034 0.000 0.192 4018 E C 2.141 178.753 176.600 0.021 0.000 0.984 4018 E CA 0.900 57.342 56.400 0.070 0.000 0.806 4018 E CB -0.070 29.658 29.700 0.048 0.000 0.750 4018 E HN 0.391 nan 8.360 nan 0.000 0.458 4019 K N 0.927 121.315 120.400 -0.019 0.000 2.057 4019 K HA -0.177 4.163 4.320 0.034 0.000 0.206 4019 K C 2.178 178.701 176.600 -0.127 0.000 1.050 4019 K CA 1.204 57.458 56.287 -0.056 0.000 0.935 4019 K CB 0.112 32.580 32.500 -0.054 0.000 0.715 4019 K HN 0.065 nan 8.250 nan 0.000 0.439 4020 Q N -1.158 118.495 119.800 -0.244 0.000 2.083 4020 Q HA -0.078 4.283 4.340 0.034 0.000 0.198 4020 Q C 0.885 176.513 176.000 -0.620 0.000 0.969 4020 Q CA 1.278 56.748 55.803 -0.555 0.000 0.838 4020 Q CB 0.236 28.394 28.738 -0.967 0.000 0.900 4020 Q HN 0.250 nan 8.270 nan 0.000 0.436 4021 F N -1.005 118.950 119.950 0.008 0.000 2.688 4021 F HA 0.389 4.937 4.527 0.034 0.000 0.310 4021 F C 0.725 176.532 175.800 0.013 0.000 1.098 4021 F CA 0.287 58.293 58.000 0.011 0.000 1.228 4021 F CB 1.101 40.108 39.000 0.012 0.000 1.042 4021 F HN 0.021 nan 8.300 nan 0.000 0.557 4022 G N 0.368 109.239 108.800 0.117 0.000 2.612 4022 G HA2 -0.161 3.819 3.960 0.034 0.000 0.686 4022 G HA3 -0.161 3.819 3.960 0.034 0.000 0.686 4022 G C 0.558 175.503 174.900 0.076 0.000 1.274 4022 G CA -0.760 44.389 45.100 0.082 0.000 0.849 4022 G HN -0.102 nan 8.290 nan 0.000 0.595 4023 K N 0.231 120.662 120.400 0.052 0.000 1.974 4023 K HA -0.158 4.182 4.320 0.034 0.000 0.232 4023 K C 2.436 179.066 176.600 0.049 0.000 1.027 4023 K CA 2.186 58.499 56.287 0.043 0.000 1.049 4023 K CB -0.996 31.524 32.500 0.033 0.000 0.732 4023 K HN 1.235 nan 8.250 nan 0.000 0.452 4024 G N 1.081 109.909 108.800 0.047 0.000 3.332 4024 G HA2 -0.007 3.974 3.960 0.034 0.000 0.242 4024 G HA3 -0.007 3.974 3.960 0.034 0.000 0.242 4024 G C 1.160 176.089 174.900 0.048 0.000 1.276 4024 G CA 0.566 45.692 45.100 0.042 0.000 0.988 4024 G HN 0.390 nan 8.290 nan 0.000 0.517 4025 S N -0.557 115.183 115.700 0.066 0.000 2.453 4025 S HA 0.166 4.656 4.470 0.034 0.000 0.231 4025 S C 0.672 175.297 174.600 0.042 0.000 1.005 4025 S CA 0.140 58.380 58.200 0.067 0.000 0.949 4025 S CB 0.274 63.552 63.200 0.130 0.000 0.774 4025 S HN 0.372 nan 8.310 nan 0.000 0.510 4026 I N 1.090 121.688 120.570 0.047 0.000 2.692 4026 I HA 0.590 4.781 4.170 0.034 0.000 0.293 4026 I C -1.368 174.767 176.117 0.029 0.000 1.200 4026 I CA -1.222 60.097 61.300 0.032 0.000 1.036 4026 I CB 1.956 39.977 38.000 0.035 0.000 1.258 4026 I HN 0.395 nan 8.210 nan 0.000 0.421 4027 M N 4.128 123.741 119.600 0.021 0.000 2.949 4027 M HA 0.579 5.080 4.480 0.034 0.000 0.270 4027 M C -1.291 175.016 176.300 0.012 0.000 1.221 4027 M CA -1.075 54.235 55.300 0.017 0.000 0.818 4027 M CB 1.463 34.072 32.600 0.016 0.000 1.635 4027 M HN 0.322 nan 8.290 nan 0.000 0.492 4028 R N 1.162 121.667 120.500 0.008 0.000 2.489 4028 R HA 0.251 4.612 4.340 0.034 0.000 0.287 4028 R C 0.977 177.275 176.300 -0.003 0.000 1.053 4028 R CA -0.082 56.019 56.100 0.002 0.000 1.036 4028 R CB 0.219 30.518 30.300 -0.001 0.000 0.966 4028 R HN 0.694 nan 8.270 nan 0.000 0.432 4029 L N 2.369 123.586 121.223 -0.010 0.000 2.013 4029 L HA -0.186 4.175 4.340 0.034 0.000 0.212 4029 L C 1.913 178.771 176.870 -0.020 0.000 1.073 4029 L CA 2.147 56.973 54.840 -0.022 0.000 0.753 4029 L CB -0.545 41.487 42.059 -0.045 0.000 0.890 4029 L HN 1.005 nan 8.230 nan 0.000 0.432 4030 G N -0.203 108.585 108.800 -0.020 0.000 2.485 4030 G HA2 -0.271 3.710 3.960 0.034 0.000 0.221 4030 G HA3 -0.271 3.710 3.960 0.034 0.000 0.221 4030 G C 1.124 176.018 174.900 -0.010 0.000 1.115 4030 G CA 0.961 46.051 45.100 -0.017 0.000 0.751 4030 G HN 0.724 nan 8.290 nan 0.000 0.567 4031 E N -0.220 119.976 120.200 -0.006 0.000 2.501 4031 E HA 0.110 4.480 4.350 0.034 0.000 0.201 4031 E C -0.476 176.124 176.600 0.001 0.000 1.016 4031 E CA -0.423 55.975 56.400 -0.002 0.000 0.920 4031 E CB 0.347 30.047 29.700 -0.000 0.000 1.023 4031 E HN 0.132 nan 8.360 nan 0.000 0.474 4032 D N 1.799 122.198 120.400 -0.000 0.000 2.411 4032 D HA 0.080 4.741 4.640 0.034 0.000 0.225 4032 D C 0.756 177.058 176.300 0.004 0.000 1.156 4032 D CA -0.305 53.697 54.000 0.004 0.000 0.874 4032 D CB 0.718 41.520 40.800 0.003 0.000 1.034 4032 D HN -0.093 nan 8.370 nan 0.000 0.502 4033 R N 1.462 121.966 120.500 0.007 0.000 2.115 4033 R HA -0.087 4.274 4.340 0.034 0.000 0.230 4033 R C 1.888 178.195 176.300 0.011 0.000 1.111 4033 R CA 0.731 56.836 56.100 0.007 0.000 0.976 4033 R CB -0.832 29.472 30.300 0.007 0.000 0.870 4033 R HN 0.472 nan 8.270 nan 0.000 0.445 4034 S N -0.638 115.072 115.700 0.015 0.000 2.595 4034 S HA -0.073 4.417 4.470 0.034 0.000 0.235 4034 S C 1.694 176.309 174.600 0.025 0.000 0.974 4034 S CA 0.657 58.870 58.200 0.022 0.000 0.942 4034 S CB -0.012 63.206 63.200 0.030 0.000 0.766 4034 S HN 0.121 nan 8.310 nan 0.000 0.536 4035 M N 1.532 121.141 119.600 0.015 0.000 2.465 4035 M HA 0.313 4.813 4.480 0.034 0.000 0.249 4035 M C -0.795 175.509 176.300 0.007 0.000 1.130 4035 M CA 0.069 55.376 55.300 0.011 0.000 1.067 4035 M CB 0.241 32.840 32.600 -0.002 0.000 1.394 4035 M HN 0.002 nan 8.290 nan 0.000 0.483 4036 D N 1.018 121.422 120.400 0.007 0.000 2.425 4036 D HA 0.057 4.717 4.640 0.034 0.000 0.247 4036 D C -0.386 175.919 176.300 0.008 0.000 1.147 4036 D CA 0.207 54.211 54.000 0.006 0.000 0.879 4036 D CB 0.924 41.727 40.800 0.005 0.000 1.179 4036 D HN -0.098 nan 8.370 nan 0.000 0.456 4037 V N 3.142 123.059 119.914 0.006 0.000 2.479 4037 V HA 0.028 4.168 4.120 0.034 0.000 0.281 4037 V C 0.719 176.815 176.094 0.002 0.000 1.031 4037 V CA 0.189 62.492 62.300 0.004 0.000 1.038 4037 V CB 0.605 32.428 31.823 0.000 0.000 0.981 4037 V HN 0.434 nan 8.190 nan 0.000 0.478 4038 E N 3.644 123.845 120.200 0.002 0.000 2.212 4038 E HA 0.609 4.979 4.350 0.034 0.000 0.268 4038 E C -0.524 176.073 176.600 -0.005 0.000 0.902 4038 E CA -0.520 55.880 56.400 -0.001 0.000 0.779 4038 E CB 2.082 31.782 29.700 -0.001 0.000 1.172 4038 E HN 0.804 nan 8.360 nan 0.000 0.409 4039 T N 1.003 115.552 114.554 -0.008 0.000 2.930 4039 T HA 0.610 4.981 4.350 0.034 0.000 0.290 4039 T C -0.348 174.342 174.700 -0.017 0.000 1.052 4039 T CA -0.863 61.229 62.100 -0.012 0.000 1.017 4039 T CB 1.108 69.969 68.868 -0.012 0.000 1.137 4039 T HN 0.256 nan 8.240 nan 0.000 0.511 4040 I N 1.764 122.321 120.570 -0.021 0.000 2.569 4040 I HA 0.450 4.640 4.170 0.034 0.000 0.296 4040 I C 0.749 176.847 176.117 -0.032 0.000 1.028 4040 I CA -0.733 60.549 61.300 -0.029 0.000 1.082 4040 I CB 1.869 39.851 38.000 -0.030 0.000 1.264 4040 I HN 0.964 nan 8.210 nan 0.000 0.429 4041 S N 2.668 118.342 115.700 -0.043 0.000 2.568 4041 S HA 0.079 4.569 4.470 0.034 0.000 0.282 4041 S C 1.313 175.881 174.600 -0.053 0.000 1.338 4041 S CA 0.371 58.543 58.200 -0.047 0.000 1.045 4041 S CB 0.441 63.597 63.200 -0.074 0.000 0.873 4041 S HN 0.794 nan 8.310 nan 0.000 0.516 4042 T N 1.041 115.566 114.554 -0.048 0.000 3.081 4042 T HA 0.364 4.735 4.350 0.034 0.000 0.250 4042 T C 1.485 176.131 174.700 -0.091 0.000 1.100 4042 T CA 0.661 62.727 62.100 -0.057 0.000 1.038 4042 T CB -0.297 68.542 68.868 -0.048 0.000 0.962 4042 T HN 1.603 nan 8.240 nan 0.000 0.516 4043 G N 0.840 109.579 108.800 -0.103 0.000 2.241 4043 G HA2 -0.245 3.735 3.960 0.034 0.000 0.244 4043 G HA3 -0.245 3.735 3.960 0.034 0.000 0.244 4043 G C 0.227 175.076 174.900 -0.084 0.000 0.998 4043 G CA 0.216 45.234 45.100 -0.136 0.000 0.621 4043 G HN 1.094 nan 8.290 nan 0.000 0.519 4044 S N -0.081 115.536 115.700 -0.139 0.000 2.449 4044 S HA 0.631 5.121 4.470 0.034 0.000 0.310 4044 S C 1.185 175.758 174.600 -0.046 0.000 1.096 4044 S CA 0.086 58.154 58.200 -0.219 0.000 1.095 4044 S CB 1.537 64.345 63.200 -0.654 0.000 1.007 4044 S HN 1.031 nan 8.310 nan 0.000 0.474 4045 L N 5.774 126.951 121.223 -0.077 0.000 2.056 4045 L HA 0.036 4.396 4.340 0.034 0.000 0.207 4045 L C 2.525 179.350 176.870 -0.074 0.000 1.078 4045 L CA 2.695 57.469 54.840 -0.110 0.000 0.749 4045 L CB -0.997 40.769 42.059 -0.488 0.000 0.901 4045 L HN 0.898 nan 8.230 nan 0.000 0.433 4046 S N -1.215 114.445 115.700 -0.066 0.000 2.406 4046 S HA -0.163 4.328 4.470 0.034 0.000 0.228 4046 S C 2.097 176.725 174.600 0.046 0.000 1.020 4046 S CA 1.165 59.371 58.200 0.010 0.000 0.965 4046 S CB -0.915 62.323 63.200 0.062 0.000 0.798 4046 S HN 0.496 nan 8.310 nan 0.000 0.488 4047 L N 1.449 122.703 121.223 0.051 0.000 2.027 4047 L HA -0.112 4.249 4.340 0.034 0.000 0.206 4047 L C 1.996 178.878 176.870 0.019 0.000 1.074 4047 L CA 2.013 56.888 54.840 0.058 0.000 0.745 4047 L CB -0.671 41.418 42.059 0.049 0.000 0.898 4047 L HN 0.241 nan 8.230 nan 0.000 0.433 4048 D N 0.117 120.520 120.400 0.005 0.000 2.158 4048 D HA -0.214 4.447 4.640 0.034 0.000 0.197 4048 D C 2.124 178.428 176.300 0.007 0.000 0.995 4048 D CA 1.370 55.373 54.000 0.006 0.000 0.846 4048 D CB -0.098 40.713 40.800 0.018 0.000 0.941 4048 D HN 0.379 nan 8.370 nan 0.000 0.456 4049 I N 0.744 121.320 120.570 0.009 0.000 2.286 4049 I HA -0.195 3.995 4.170 0.034 0.000 0.245 4049 I C 2.430 178.555 176.117 0.013 0.000 1.104 4049 I CA 0.886 62.192 61.300 0.011 0.000 1.397 4049 I CB -0.159 37.847 38.000 0.009 0.000 1.072 4049 I HN -0.080 nan 8.210 nan 0.000 0.417 4050 A N 0.742 123.573 122.820 0.018 0.000 1.940 4050 A HA -0.160 4.181 4.320 0.034 0.000 0.219 4050 A C 2.218 179.799 177.584 -0.005 0.000 1.176 4050 A CA 1.417 53.464 52.037 0.017 0.000 0.631 4050 A CB -0.901 18.117 19.000 0.030 0.000 0.814 4050 A HN 0.414 nan 8.150 nan 0.000 0.446 4051 L N -1.343 119.873 121.223 -0.011 0.000 2.549 4051 L HA 0.039 4.400 4.340 0.034 0.000 0.229 4051 L C 2.147 178.996 176.870 -0.036 0.000 1.158 4051 L CA 0.635 55.455 54.840 -0.032 0.000 0.842 4051 L CB -0.390 41.653 42.059 -0.026 0.000 0.952 4051 L HN 0.637 nan 8.230 nan 0.000 0.452 4052 G N -0.174 108.615 108.800 -0.018 0.000 2.609 4052 G HA2 -0.443 3.538 3.960 0.034 0.000 0.235 4052 G HA3 -0.443 3.538 3.960 0.034 0.000 0.235 4052 G C 1.078 175.974 174.900 -0.006 0.000 1.177 4052 G CA 0.545 45.638 45.100 -0.011 0.000 0.707 4052 G HN 0.473 nan 8.290 nan 0.000 0.513 4053 A N 0.272 123.082 122.820 -0.015 0.000 2.275 4053 A HA 0.577 4.918 4.320 0.034 0.000 0.212 4053 A C 2.501 180.082 177.584 -0.005 0.000 1.201 4053 A CA 1.853 53.884 52.037 -0.010 0.000 0.843 4053 A CB -0.402 18.587 19.000 -0.018 0.000 0.873 4053 A HN 2.593 nan 8.150 nan 0.000 0.492 4054 G N -2.893 105.905 108.800 -0.004 0.000 2.176 4054 G HA2 0.296 4.277 3.960 0.034 0.000 0.232 4054 G HA3 0.296 4.277 3.960 0.034 0.000 0.232 4054 G C 0.893 175.791 174.900 -0.003 0.000 0.986 4054 G CA 0.332 45.433 45.100 0.002 0.000 0.643 4054 G HN 2.136 nan 8.290 nan 0.000 0.522 4055 G N -1.414 107.380 108.800 -0.010 0.000 2.333 4055 G HA2 0.506 4.486 3.960 0.034 0.000 0.288 4055 G HA3 0.506 4.486 3.960 0.034 0.000 0.288 4055 G C -0.870 174.019 174.900 -0.018 0.000 1.286 4055 G CA -0.457 44.634 45.100 -0.015 0.000 0.865 4055 G HN 0.873 nan 8.290 nan 0.000 0.506 4056 L N 2.059 123.271 121.223 -0.019 0.000 2.371 4056 L HA 0.438 4.799 4.340 0.034 0.000 0.272 4056 L C -1.819 175.042 176.870 -0.016 0.000 1.124 4056 L CA -1.677 53.153 54.840 -0.018 0.000 0.816 4056 L CB 1.521 43.571 42.059 -0.017 0.000 1.129 4056 L HN 0.310 nan 8.230 nan 0.000 0.448 4057 P HA 0.161 nan 4.420 nan 0.000 0.286 4057 P C -0.731 176.567 177.300 -0.003 0.000 1.269 4057 P CA -0.545 62.551 63.100 -0.007 0.000 0.787 4057 P CB 0.954 32.651 31.700 -0.006 0.000 0.920 4058 M N 1.998 121.596 119.600 -0.003 0.000 2.245 4058 M HA 0.205 4.706 4.480 0.034 0.000 0.344 4058 M C 1.594 177.899 176.300 0.009 0.000 1.170 4058 M CA 0.861 56.159 55.300 -0.002 0.000 1.135 4058 M CB -0.795 31.802 32.600 -0.004 0.000 1.574 4058 M HN 0.834 nan 8.290 nan 0.000 0.452 4059 G N 2.405 111.208 108.800 0.006 0.000 2.143 4059 G HA2 -0.207 3.774 3.960 0.034 0.000 0.248 4059 G HA3 -0.207 3.774 3.960 0.034 0.000 0.248 4059 G C 0.160 175.080 174.900 0.033 0.000 0.991 4059 G CA -0.022 45.088 45.100 0.017 0.000 0.689 4059 G HN 0.553 nan 8.290 nan 0.000 0.522 4060 R N -0.973 119.545 120.500 0.030 0.000 2.930 4060 R HA 0.761 5.121 4.340 0.034 0.000 0.257 4060 R C 0.104 176.436 176.300 0.054 0.000 1.107 4060 R CA -1.120 55.012 56.100 0.053 0.000 0.999 4060 R CB 0.841 31.169 30.300 0.047 0.000 1.209 4060 R HN 0.201 nan 8.270 nan 0.000 0.486 4061 I N 0.720 121.348 120.570 0.098 0.000 2.392 4061 I HA 0.395 4.586 4.170 0.034 0.000 0.295 4061 I C -0.268 175.923 176.117 0.123 0.000 0.985 4061 I CA -0.895 60.485 61.300 0.132 0.000 1.221 4061 I CB 1.824 39.963 38.000 0.232 0.000 1.366 4061 I HN -0.039 nan 8.210 nan 0.000 0.467 4062 V N 5.258 125.243 119.914 0.117 0.000 2.789 4062 V HA 0.375 4.516 4.120 0.034 0.000 0.311 4062 V C -0.477 175.711 176.094 0.158 0.000 1.073 4062 V CA -0.642 61.717 62.300 0.098 0.000 0.921 4062 V CB 2.153 34.000 31.823 0.040 0.000 1.009 4062 V HN 0.732 nan 8.190 nan 0.000 0.426 4063 E N 3.728 124.021 120.200 0.154 0.000 2.199 4063 E HA 0.675 5.046 4.350 0.034 0.000 0.269 4063 E C -1.608 175.082 176.600 0.151 0.000 0.899 4063 E CA -0.623 55.894 56.400 0.195 0.000 0.772 4063 E CB 1.797 31.621 29.700 0.206 0.000 1.155 4063 E HN 0.622 nan 8.360 nan 0.000 0.408 4064 I N 5.105 125.765 120.570 0.150 0.000 2.436 4064 I HA 0.357 4.548 4.170 0.034 0.000 0.289 4064 I C -1.028 175.180 176.117 0.152 0.000 1.010 4064 I CA -0.980 60.367 61.300 0.080 0.000 1.098 4064 I CB 1.008 39.041 38.000 0.055 0.000 1.266 4064 I HN 0.491 nan 8.210 nan 0.000 0.434 4065 Y N 3.901 124.231 120.300 0.051 0.000 2.581 4065 Y HA 0.996 5.567 4.550 0.035 0.000 0.345 4065 Y C -0.270 175.655 175.900 0.042 0.000 1.036 4065 Y CA -1.099 57.028 58.100 0.045 0.000 1.042 4065 Y CB 1.982 40.461 38.460 0.033 0.000 1.289 4065 Y HN 0.698 nan 8.280 nan 0.000 0.471 4066 G N 0.826 109.762 108.800 0.227 0.000 2.328 4066 G HA2 0.459 4.439 3.960 0.034 0.000 0.295 4066 G HA3 0.459 4.439 3.960 0.034 0.000 0.295 4066 G C -3.516 171.458 174.900 0.124 0.000 1.413 4066 G CA -1.321 43.858 45.100 0.132 0.000 0.817 4066 G HN 0.509 nan 8.290 nan 0.000 0.546 4067 P HA 0.288 nan 4.420 nan 0.000 0.272 4067 P C -0.284 177.050 177.300 0.057 0.000 1.254 4067 P CA -0.263 62.876 63.100 0.066 0.000 0.795 4067 P CB 0.229 31.959 31.700 0.048 0.000 1.022 4068 E N -0.671 119.556 120.200 0.045 0.000 2.413 4068 E HA 0.205 4.576 4.350 0.034 0.000 0.263 4068 E C 0.085 176.705 176.600 0.033 0.000 1.015 4068 E CA -0.150 56.273 56.400 0.038 0.000 0.916 4068 E CB -0.594 29.121 29.700 0.026 0.000 0.947 4068 E HN 0.275 nan 8.360 nan 0.000 0.440 4069 S N 0.653 116.373 115.700 0.033 0.000 3.587 4069 S HA -0.221 4.270 4.470 0.034 0.000 0.337 4069 S C 0.935 175.567 174.600 0.053 0.000 1.119 4069 S CA 0.984 59.202 58.200 0.030 0.000 0.976 4069 S CB -1.815 61.387 63.200 0.003 0.000 0.922 4069 S HN 0.730 nan 8.310 nan 0.000 0.503 4070 S N -0.234 115.501 115.700 0.058 0.000 2.528 4070 S HA 0.439 4.929 4.470 0.034 0.000 0.219 4070 S C 1.509 176.157 174.600 0.079 0.000 0.985 4070 S CA 0.750 58.983 58.200 0.056 0.000 0.914 4070 S CB 0.519 63.743 63.200 0.039 0.000 0.776 4070 S HN 1.988 nan 8.310 nan 0.000 0.526 4071 G N 1.321 110.183 108.800 0.104 0.000 2.145 4071 G HA2 -0.182 3.798 3.960 0.034 0.000 0.145 4071 G HA3 -0.182 3.798 3.960 0.034 0.000 0.145 4071 G C 0.583 175.570 174.900 0.144 0.000 1.017 4071 G CA 0.108 45.295 45.100 0.145 0.000 0.682 4071 G HN 0.438 nan 8.290 nan 0.000 0.504 4072 K N -0.206 120.266 120.400 0.119 0.000 1.985 4072 K HA -0.054 4.286 4.320 0.034 0.000 0.210 4072 K C 2.570 179.254 176.600 0.140 0.000 1.047 4072 K CA 1.916 58.273 56.287 0.116 0.000 0.932 4072 K CB -0.374 32.190 32.500 0.106 0.000 0.716 4072 K HN 0.281 nan 8.250 nan 0.000 0.439 4073 T N 0.970 115.621 114.554 0.161 0.000 2.674 4073 T HA -0.150 4.221 4.350 0.034 0.000 0.265 4073 T C 2.011 176.828 174.700 0.196 0.000 1.039 4073 T CA 1.921 64.148 62.100 0.212 0.000 1.150 4073 T CB -0.513 68.483 68.868 0.213 0.000 0.864 4073 T HN 0.279 nan 8.240 nan 0.000 0.427 4074 T N 2.647 117.315 114.554 0.190 0.000 2.624 4074 T HA -0.120 4.250 4.350 0.034 0.000 0.268 4074 T C 1.870 176.647 174.700 0.128 0.000 1.041 4074 T CA 1.168 63.380 62.100 0.187 0.000 1.159 4074 T CB -0.644 68.365 68.868 0.234 0.000 0.863 4074 T HN 0.197 nan 8.240 nan 0.000 0.434 4075 L N 0.352 121.654 121.223 0.132 0.000 1.990 4075 L HA -0.207 4.154 4.340 0.034 0.000 0.213 4075 L C 2.709 179.618 176.870 0.065 0.000 1.072 4075 L CA 1.847 56.740 54.840 0.090 0.000 0.755 4075 L CB -0.912 41.215 42.059 0.114 0.000 0.889 4075 L HN 0.331 nan 8.230 nan 0.000 0.432 4076 T N 0.455 115.068 114.554 0.099 0.000 2.665 4076 T HA -0.247 4.123 4.350 0.034 0.000 0.268 4076 T C 1.889 176.659 174.700 0.117 0.000 1.035 4076 T CA 1.770 63.937 62.100 0.111 0.000 1.151 4076 T CB -0.263 68.703 68.868 0.163 0.000 0.862 4076 T HN 0.281 nan 8.240 nan 0.000 0.438 4077 L N 0.690 121.985 121.223 0.120 0.000 2.141 4077 L HA -0.088 4.272 4.340 0.034 0.000 0.209 4077 L C 2.972 179.841 176.870 -0.003 0.000 1.094 4077 L CA 0.951 55.824 54.840 0.055 0.000 0.763 4077 L CB -0.494 41.568 42.059 0.005 0.000 0.908 4077 L HN 0.233 nan 8.230 nan 0.000 0.437 4078 Q N -0.396 119.398 119.800 -0.011 0.000 2.119 4078 Q HA -0.177 4.184 4.340 0.034 0.000 0.201 4078 Q C 2.443 178.408 176.000 -0.059 0.000 0.972 4078 Q CA 1.840 57.611 55.803 -0.053 0.000 0.847 4078 Q CB -0.577 28.121 28.738 -0.066 0.000 0.903 4078 Q HN 0.546 nan 8.270 nan 0.000 0.433 4079 V N -0.164 119.731 119.914 -0.032 0.000 2.358 4079 V HA -0.201 3.940 4.120 0.034 0.000 0.246 4079 V C 2.100 178.176 176.094 -0.031 0.000 1.047 4079 V CA 1.170 63.448 62.300 -0.036 0.000 1.035 4079 V CB -0.481 31.327 31.823 -0.024 0.000 0.658 4079 V HN 0.227 nan 8.190 nan 0.000 0.452 4080 I N 1.113 121.680 120.570 -0.005 0.000 2.163 4080 I HA -0.231 3.960 4.170 0.034 0.000 0.243 4080 I C 2.951 179.049 176.117 -0.032 0.000 1.085 4080 I CA 1.925 63.224 61.300 -0.002 0.000 1.347 4080 I CB -0.793 37.231 38.000 0.040 0.000 1.044 4080 I HN 0.445 nan 8.210 nan 0.000 0.408 4081 A N 0.662 123.452 122.820 -0.049 0.000 1.883 4081 A HA -0.220 4.120 4.320 0.034 0.000 0.217 4081 A C 2.543 180.077 177.584 -0.083 0.000 1.186 4081 A CA 2.078 54.072 52.037 -0.071 0.000 0.624 4081 A CB -0.973 17.974 19.000 -0.088 0.000 0.822 4081 A HN 0.457 nan 8.150 nan 0.000 0.444 4082 A N -0.248 122.514 122.820 -0.096 0.000 1.902 4082 A HA 0.133 4.473 4.320 0.034 0.000 0.217 4082 A C 2.515 180.048 177.584 -0.085 0.000 1.181 4082 A CA 2.237 54.206 52.037 -0.113 0.000 0.623 4082 A CB -1.033 17.889 19.000 -0.130 0.000 0.818 4082 A HN 1.097 nan 8.150 nan 0.000 0.443 4083 A N -0.763 122.019 122.820 -0.064 0.000 1.877 4083 A HA -0.215 4.126 4.320 0.034 0.000 0.216 4083 A C 2.130 179.687 177.584 -0.046 0.000 1.186 4083 A CA 1.653 53.661 52.037 -0.049 0.000 0.620 4083 A CB -0.594 18.384 19.000 -0.037 0.000 0.822 4083 A HN 0.650 nan 8.150 nan 0.000 0.443 4084 Q N -1.251 118.521 119.800 -0.046 0.000 2.124 4084 Q HA -0.168 4.193 4.340 0.034 0.000 0.202 4084 Q C 2.283 178.255 176.000 -0.048 0.000 0.977 4084 Q CA 1.465 57.242 55.803 -0.042 0.000 0.850 4084 Q CB -0.147 28.566 28.738 -0.041 0.000 0.901 4084 Q HN 0.566 nan 8.270 nan 0.000 0.429 4085 R N 1.117 121.581 120.500 -0.060 0.000 2.200 4085 R HA -0.124 4.236 4.340 0.034 0.000 0.234 4085 R C 0.824 177.090 176.300 -0.058 0.000 1.127 4085 R CA 1.119 57.180 56.100 -0.065 0.000 0.989 4085 R CB 0.199 30.446 30.300 -0.087 0.000 0.869 4085 R HN 0.264 nan 8.270 nan 0.000 0.459 4086 E N -1.588 118.580 120.200 -0.053 0.000 2.451 4086 E HA 0.168 4.539 4.350 0.034 0.000 0.194 4086 E C 0.427 177.006 176.600 -0.035 0.000 1.027 4086 E CA 0.343 56.717 56.400 -0.045 0.000 0.914 4086 E CB 0.914 30.587 29.700 -0.046 0.000 1.054 4086 E HN 0.484 nan 8.360 nan 0.000 0.461 4087 G N 2.201 110.980 108.800 -0.034 0.000 2.159 4087 G HA2 -0.310 3.671 3.960 0.034 0.000 0.256 4087 G HA3 -0.310 3.671 3.960 0.034 0.000 0.256 4087 G C 0.208 175.093 174.900 -0.025 0.000 0.977 4087 G CA 0.143 45.227 45.100 -0.027 0.000 0.652 4087 G HN 0.166 nan 8.290 nan 0.000 0.531 4088 K N 0.385 120.769 120.400 -0.027 0.000 2.126 4088 K HA 0.506 4.847 4.320 0.034 0.000 0.257 4088 K C 0.073 176.660 176.600 -0.022 0.000 1.007 4088 K CA 0.064 56.337 56.287 -0.024 0.000 0.928 4088 K CB 0.669 33.154 32.500 -0.026 0.000 1.013 4088 K HN 0.100 nan 8.250 nan 0.000 0.473 4089 T N 1.373 115.916 114.554 -0.019 0.000 2.794 4089 T HA 0.325 4.695 4.350 0.034 0.000 0.280 4089 T C -0.476 174.216 174.700 -0.014 0.000 0.987 4089 T CA -0.549 61.542 62.100 -0.016 0.000 0.993 4089 T CB 0.430 69.289 68.868 -0.014 0.000 0.939 4089 T HN 0.535 nan 8.240 nan 0.000 0.449 4090 C N 2.375 121.671 119.300 -0.007 0.000 2.614 4090 C HA 0.975 5.456 4.460 0.034 0.000 0.320 4090 C C 0.290 175.290 174.990 0.017 0.000 1.200 4090 C CA -0.913 58.106 59.018 0.002 0.000 1.700 4090 C CB 0.955 28.703 27.740 0.014 0.000 2.275 4090 C HN 1.036 nan 8.230 nan 0.000 0.492 4091 A N 1.211 124.042 122.820 0.017 0.000 2.435 4091 A HA 0.869 5.210 4.320 0.034 0.000 0.304 4091 A C -1.476 176.150 177.584 0.069 0.000 1.064 4091 A CA -0.266 51.791 52.037 0.034 0.000 0.727 4091 A CB 1.036 20.030 19.000 -0.010 0.000 1.284 4091 A HN 0.825 nan 8.150 nan 0.000 0.415 4092 F N 3.172 123.090 119.950 -0.054 0.000 2.499 4092 F HA 0.555 5.103 4.527 0.034 0.000 0.333 4092 F C -0.731 175.034 175.800 -0.059 0.000 1.138 4092 F CA -0.826 57.142 58.000 -0.055 0.000 0.945 4092 F CB 1.330 40.305 39.000 -0.042 0.000 1.181 4092 F HN 0.372 nan 8.300 nan 0.000 0.435 4093 I N 4.864 125.261 120.570 -0.289 0.000 2.282 4093 I HA 0.114 4.305 4.170 0.034 0.000 0.290 4093 I C -0.106 175.919 176.117 -0.154 0.000 1.090 4093 I CA -0.337 60.870 61.300 -0.155 0.000 1.231 4093 I CB 0.417 38.319 38.000 -0.164 0.000 1.434 4093 I HN 0.508 nan 8.210 nan 0.000 0.487 4094 D N 5.329 125.772 120.400 0.071 0.000 2.619 4094 D HA 0.325 4.986 4.640 0.034 0.000 0.224 4094 D C 1.262 177.511 176.300 -0.084 0.000 1.133 4094 D CA -0.037 54.041 54.000 0.129 0.000 1.017 4094 D CB 0.784 41.703 40.800 0.198 0.000 1.077 4094 D HN 0.589 nan 8.370 nan 0.000 0.503 4095 A N 2.403 125.207 122.820 -0.026 0.000 2.015 4095 A HA -0.106 4.234 4.320 0.034 0.000 0.219 4095 A C 1.920 179.624 177.584 0.200 0.000 1.163 4095 A CA 0.762 52.825 52.037 0.043 0.000 0.646 4095 A CB -0.208 18.831 19.000 0.065 0.000 0.806 4095 A HN 0.516 nan 8.150 nan 0.000 0.448 4096 E N -1.021 119.269 120.200 0.151 0.000 2.427 4096 E HA -0.076 4.295 4.350 0.034 0.000 0.196 4096 E C -0.551 176.204 176.600 0.259 0.000 1.028 4096 E CA 0.014 56.525 56.400 0.185 0.000 0.864 4096 E CB -0.162 29.619 29.700 0.136 0.000 0.813 4096 E HN 0.695 nan 8.360 nan 0.000 0.514 4097 H N -1.893 117.224 119.070 0.077 0.000 2.677 4097 H HA -0.207 4.370 4.556 0.034 0.000 0.321 4097 H C -0.096 175.262 175.328 0.050 0.000 1.171 4097 H CA 0.508 56.593 56.048 0.061 0.000 1.139 4097 H CB -1.276 28.511 29.762 0.041 0.000 1.515 4097 H HN 0.237 nan 8.280 nan 0.000 0.423 4098 A N 0.682 123.577 122.820 0.125 0.000 2.622 4098 A HA 0.244 4.584 4.320 0.034 0.000 0.283 4098 A C 0.205 177.814 177.584 0.042 0.000 0.998 4098 A CA -0.458 51.627 52.037 0.079 0.000 0.985 4098 A CB 0.672 19.718 19.000 0.076 0.000 1.236 4098 A HN 0.148 nan 8.150 nan 0.000 0.559 4099 L N 1.234 122.471 121.223 0.023 0.000 2.360 4099 L HA 0.468 4.828 4.340 0.034 0.000 0.276 4099 L C -0.533 176.305 176.870 -0.053 0.000 1.121 4099 L CA 0.094 54.897 54.840 -0.061 0.000 0.845 4099 L CB 0.699 42.643 42.059 -0.192 0.000 1.143 4099 L HN 0.223 nan 8.230 nan 0.000 0.452 4100 D N 7.345 127.725 120.400 -0.034 0.000 2.428 4100 D HA 0.295 4.956 4.640 0.034 0.000 0.221 4100 D C -1.748 174.554 176.300 0.003 0.000 1.123 4100 D CA -2.197 51.803 54.000 -0.000 0.000 0.869 4100 D CB 1.424 42.238 40.800 0.022 0.000 1.032 4100 D HN 0.362 nan 8.370 nan 0.000 0.506 4101 P HA -0.166 nan 4.420 nan 0.000 0.215 4101 P C 1.687 178.975 177.300 -0.020 0.000 1.153 4101 P CA 0.619 63.690 63.100 -0.048 0.000 0.853 4101 P CB 0.532 32.206 31.700 -0.043 0.000 0.788 4102 I N -1.533 119.043 120.570 0.011 0.000 2.208 4102 I HA -0.253 3.938 4.170 0.034 0.000 0.245 4102 I C 2.689 178.838 176.117 0.052 0.000 1.097 4102 I CA 1.471 62.785 61.300 0.024 0.000 1.363 4102 I CB -1.188 36.833 38.000 0.034 0.000 1.051 4102 I HN -0.140 nan 8.210 nan 0.000 0.413 4103 Y N 1.085 121.358 120.300 -0.045 0.000 2.200 4103 Y HA -0.233 4.337 4.550 0.034 0.000 0.290 4103 Y C 2.468 178.339 175.900 -0.047 0.000 1.137 4103 Y CA 1.310 59.388 58.100 -0.037 0.000 1.163 4103 Y CB -0.613 37.826 38.460 -0.035 0.000 0.988 4103 Y HN 0.144 nan 8.280 nan 0.000 0.518 4104 A N 0.543 123.327 122.820 -0.059 0.000 1.917 4104 A HA -0.247 4.094 4.320 0.034 0.000 0.219 4104 A C 2.432 179.914 177.584 -0.170 0.000 1.182 4104 A CA 1.901 53.847 52.037 -0.151 0.000 0.633 4104 A CB -0.783 18.128 19.000 -0.149 0.000 0.819 4104 A HN 0.478 nan 8.150 nan 0.000 0.448 4105 R N -0.151 120.275 120.500 -0.124 0.000 2.081 4105 R HA -0.130 4.230 4.340 0.034 0.000 0.235 4105 R C 2.079 178.299 176.300 -0.133 0.000 1.131 4105 R CA 1.805 57.841 56.100 -0.106 0.000 0.960 4105 R CB -0.279 29.980 30.300 -0.068 0.000 0.856 4105 R HN 0.565 nan 8.270 nan 0.000 0.436 4106 K N 0.297 120.594 120.400 -0.173 0.000 2.152 4106 K HA -0.101 4.240 4.320 0.034 0.000 0.206 4106 K C 1.812 178.270 176.600 -0.237 0.000 1.048 4106 K CA 1.044 57.217 56.287 -0.191 0.000 0.933 4106 K CB -0.083 32.291 32.500 -0.210 0.000 0.721 4106 K HN 0.242 nan 8.250 nan 0.000 0.447 4107 L N -0.007 121.020 121.223 -0.325 0.000 2.650 4107 L HA 0.069 4.430 4.340 0.034 0.000 0.235 4107 L C 1.006 177.780 176.870 -0.159 0.000 1.149 4107 L CA 0.358 55.045 54.840 -0.255 0.000 0.887 4107 L CB -0.313 41.571 42.059 -0.291 0.000 1.021 4107 L HN 0.429 nan 8.230 nan 0.000 0.441 4108 G N -0.058 108.660 108.800 -0.137 0.000 2.141 4108 G HA2 -0.240 3.740 3.960 0.034 0.000 0.242 4108 G HA3 -0.240 3.740 3.960 0.034 0.000 0.242 4108 G C 0.198 175.041 174.900 -0.095 0.000 0.982 4108 G CA -0.041 44.997 45.100 -0.104 0.000 0.662 4108 G HN 0.116 nan 8.290 nan 0.000 0.527 4109 V N 1.074 120.927 119.914 -0.101 0.000 2.614 4109 V HA 0.336 4.477 4.120 0.034 0.000 0.291 4109 V C 0.759 176.809 176.094 -0.072 0.000 1.049 4109 V CA 0.024 62.273 62.300 -0.085 0.000 1.038 4109 V CB 1.656 33.422 31.823 -0.095 0.000 0.980 4109 V HN 0.351 nan 8.190 nan 0.000 0.481 4110 D N 4.463 124.828 120.400 -0.058 0.000 2.455 4110 D HA 0.085 4.745 4.640 0.034 0.000 0.234 4110 D C 1.110 177.382 176.300 -0.046 0.000 1.224 4110 D CA -0.265 53.706 54.000 -0.049 0.000 0.999 4110 D CB 0.327 41.103 40.800 -0.041 0.000 1.072 4110 D HN 0.289 nan 8.370 nan 0.000 0.514 4111 I N 2.408 122.947 120.570 -0.052 0.000 2.194 4111 I HA -0.259 3.932 4.170 0.034 0.000 0.246 4111 I C 1.548 177.642 176.117 -0.038 0.000 1.093 4111 I CA 1.174 62.443 61.300 -0.052 0.000 1.355 4111 I CB -0.571 37.398 38.000 -0.052 0.000 1.046 4111 I HN 0.388 nan 8.210 nan 0.000 0.413 4112 D N 0.315 120.696 120.400 -0.032 0.000 2.310 4112 D HA -0.100 4.561 4.640 0.034 0.000 0.212 4112 D C 1.422 177.710 176.300 -0.021 0.000 0.965 4112 D CA 0.740 54.725 54.000 -0.024 0.000 0.879 4112 D CB -0.119 40.668 40.800 -0.022 0.000 0.921 4112 D HN 0.405 nan 8.370 nan 0.000 0.510 4113 N N -0.048 118.638 118.700 -0.022 0.000 2.171 4113 N HA 0.044 4.805 4.740 0.034 0.000 0.212 4113 N C 0.107 175.609 175.510 -0.013 0.000 1.184 4113 N CA -0.180 52.860 53.050 -0.017 0.000 0.888 4113 N CB 1.484 39.959 38.487 -0.019 0.000 1.038 4113 N HN 0.168 nan 8.380 nan 0.000 0.517 4114 L N 2.664 123.878 121.223 -0.015 0.000 2.325 4114 L HA 0.299 4.660 4.340 0.034 0.000 0.284 4114 L C -0.260 176.615 176.870 0.008 0.000 1.089 4114 L CA -0.163 54.676 54.840 -0.002 0.000 0.836 4114 L CB 0.276 42.324 42.059 -0.017 0.000 1.184 4114 L HN -0.058 nan 8.230 nan 0.000 0.444 4115 L N 5.282 126.516 121.223 0.019 0.000 2.455 4115 L HA 0.107 4.468 4.340 0.034 0.000 0.272 4115 L C 0.068 176.969 176.870 0.051 0.000 1.174 4115 L CA 0.158 55.012 54.840 0.022 0.000 0.869 4115 L CB 0.899 42.966 42.059 0.014 0.000 1.130 4115 L HN 0.661 nan 8.230 nan 0.000 0.474 4116 C N 2.950 122.275 119.300 0.042 0.000 2.609 4116 C HA 0.699 5.179 4.460 0.034 0.000 0.313 4116 C C -0.254 174.761 174.990 0.041 0.000 1.175 4116 C CA -0.348 58.711 59.018 0.068 0.000 1.434 4116 C CB 1.729 29.491 27.740 0.037 0.000 2.005 4116 C HN 0.826 nan 8.230 nan 0.000 0.471 4117 S N 3.604 119.333 115.700 0.048 0.000 2.575 4117 S HA 0.553 5.043 4.470 0.034 0.000 0.278 4117 S C -1.365 173.218 174.600 -0.030 0.000 1.139 4117 S CA -0.302 57.902 58.200 0.007 0.000 0.954 4117 S CB 1.411 64.610 63.200 -0.000 0.000 1.054 4117 S HN 0.840 nan 8.310 nan 0.000 0.483 4118 Q N 4.398 124.156 119.800 -0.071 0.000 2.560 4118 Q HA 0.346 4.706 4.340 0.034 0.000 0.238 4118 Q C -2.323 173.635 176.000 -0.069 0.000 1.079 4118 Q CA -1.844 53.830 55.803 -0.214 0.000 0.866 4118 Q CB 1.323 29.864 28.738 -0.329 0.000 1.153 4118 Q HN 0.518 nan 8.270 nan 0.000 0.530 4119 P HA 0.097 nan 4.420 nan 0.000 0.276 4119 P C -0.286 177.089 177.300 0.124 0.000 1.244 4119 P CA -0.228 62.901 63.100 0.049 0.000 0.801 4119 P CB 1.390 33.108 31.700 0.031 0.000 1.006 4120 D N -0.676 119.780 120.400 0.093 0.000 2.162 4120 D HA -0.015 4.645 4.640 0.034 0.000 0.205 4120 D C 0.986 177.328 176.300 0.070 0.000 0.964 4120 D CA 1.503 55.556 54.000 0.088 0.000 0.847 4120 D CB -0.053 40.780 40.800 0.055 0.000 0.988 4120 D HN 0.544 nan 8.370 nan 0.000 0.480 4121 T N -3.755 110.832 114.554 0.054 0.000 2.916 4121 T HA 0.549 4.920 4.350 0.034 0.000 0.292 4121 T C 1.340 176.065 174.700 0.042 0.000 1.064 4121 T CA -0.388 61.736 62.100 0.041 0.000 1.011 4121 T CB 1.896 70.779 68.868 0.024 0.000 1.152 4121 T HN -0.063 nan 8.240 nan 0.000 0.510 4122 G N 0.370 109.191 108.800 0.035 0.000 2.418 4122 G HA2 -0.136 3.845 3.960 0.034 0.000 0.217 4122 G HA3 -0.136 3.845 3.960 0.034 0.000 0.217 4122 G C 1.075 175.992 174.900 0.028 0.000 1.158 4122 G CA 0.858 45.978 45.100 0.034 0.000 0.771 4122 G HN 0.817 nan 8.290 nan 0.000 0.545 4123 E N -0.063 120.148 120.200 0.019 0.000 2.077 4123 E HA -0.128 4.242 4.350 0.034 0.000 0.193 4123 E C 2.419 179.030 176.600 0.018 0.000 0.989 4123 E CA 1.261 57.670 56.400 0.015 0.000 0.800 4123 E CB -0.240 29.464 29.700 0.007 0.000 0.746 4123 E HN 0.632 nan 8.360 nan 0.000 0.452 4124 Q N 0.265 120.077 119.800 0.020 0.000 2.061 4124 Q HA -0.220 4.141 4.340 0.034 0.000 0.204 4124 Q C 2.171 178.182 176.000 0.019 0.000 0.984 4124 Q CA 1.674 57.489 55.803 0.020 0.000 0.846 4124 Q CB -0.225 28.527 28.738 0.024 0.000 0.902 4124 Q HN 0.306 nan 8.270 nan 0.000 0.421 4125 A N 0.759 123.594 122.820 0.025 0.000 1.892 4125 A HA -0.203 4.137 4.320 0.034 0.000 0.218 4125 A C 2.040 179.636 177.584 0.020 0.000 1.188 4125 A CA 1.659 53.708 52.037 0.021 0.000 0.631 4125 A CB -0.778 18.243 19.000 0.034 0.000 0.822 4125 A HN 0.473 nan 8.150 nan 0.000 0.447 4126 L N -1.185 120.060 121.223 0.037 0.000 2.179 4126 L HA -0.067 4.294 4.340 0.034 0.000 0.208 4126 L C 2.545 179.428 176.870 0.020 0.000 1.096 4126 L CA 0.781 55.648 54.840 0.045 0.000 0.779 4126 L CB -0.416 41.675 42.059 0.055 0.000 0.922 4126 L HN 0.272 nan 8.230 nan 0.000 0.443 4127 E N 0.519 120.728 120.200 0.014 0.000 2.106 4127 E HA -0.154 4.217 4.350 0.034 0.000 0.192 4127 E C 2.275 178.875 176.600 0.001 0.000 0.984 4127 E CA 1.162 57.567 56.400 0.008 0.000 0.806 4127 E CB -0.037 29.669 29.700 0.010 0.000 0.750 4127 E HN 0.501 nan 8.360 nan 0.000 0.458 4128 I N 0.087 120.655 120.570 -0.002 0.000 2.252 4128 I HA -0.312 3.879 4.170 0.034 0.000 0.245 4128 I C 2.502 178.605 176.117 -0.023 0.000 1.102 4128 I CA 0.620 61.914 61.300 -0.011 0.000 1.385 4128 I CB -0.244 37.748 38.000 -0.012 0.000 1.064 4128 I HN 0.124 nan 8.210 nan 0.000 0.414 4129 C N 0.455 119.738 119.300 -0.030 0.000 2.398 4129 C HA -0.233 4.247 4.460 0.034 0.000 0.276 4129 C C 2.574 177.542 174.990 -0.037 0.000 1.222 4129 C CA 1.358 60.347 59.018 -0.050 0.000 1.746 4129 C CB -0.998 26.709 27.740 -0.054 0.000 2.039 4129 C HN 0.540 nan 8.230 nan 0.000 0.470 4130 D N 0.363 120.751 120.400 -0.019 0.000 2.097 4130 D HA -0.081 4.579 4.640 0.034 0.000 0.195 4130 D C 2.213 178.502 176.300 -0.018 0.000 0.989 4130 D CA 1.682 55.671 54.000 -0.018 0.000 0.827 4130 D CB -0.250 40.544 40.800 -0.009 0.000 0.966 4130 D HN 0.402 nan 8.370 nan 0.000 0.456 4131 A N 0.042 122.854 122.820 -0.014 0.000 1.908 4131 A HA -0.126 4.214 4.320 0.034 0.000 0.218 4131 A C 2.424 179.999 177.584 -0.016 0.000 1.181 4131 A CA 1.129 53.159 52.037 -0.011 0.000 0.627 4131 A CB -0.799 18.197 19.000 -0.007 0.000 0.818 4131 A HN 0.346 nan 8.150 nan 0.000 0.445 4132 L N -1.011 120.199 121.223 -0.022 0.000 2.056 4132 L HA -0.151 4.209 4.340 0.034 0.000 0.207 4132 L C 3.129 179.983 176.870 -0.028 0.000 1.078 4132 L CA 0.920 55.744 54.840 -0.026 0.000 0.749 4132 L CB -0.625 41.413 42.059 -0.034 0.000 0.901 4132 L HN 0.442 nan 8.230 nan 0.000 0.433 4133 A N 0.318 123.118 122.820 -0.034 0.000 1.865 4133 A HA -0.235 4.106 4.320 0.034 0.000 0.217 4133 A C 2.377 179.946 177.584 -0.025 0.000 1.191 4133 A CA 1.670 53.687 52.037 -0.034 0.000 0.623 4133 A CB -0.583 18.393 19.000 -0.040 0.000 0.826 4133 A HN 0.302 nan 8.150 nan 0.000 0.444 4134 R N 0.086 120.574 120.500 -0.021 0.000 2.152 4134 R HA -0.120 4.240 4.340 0.034 0.000 0.232 4134 R C 2.546 178.841 176.300 -0.009 0.000 1.117 4134 R CA 1.496 57.588 56.100 -0.014 0.000 0.981 4134 R CB -0.378 29.915 30.300 -0.011 0.000 0.870 4134 R HN 0.765 nan 8.270 nan 0.000 0.451 4135 S N -0.634 115.060 115.700 -0.011 0.000 2.402 4135 S HA -0.049 4.441 4.470 0.034 0.000 0.229 4135 S C 1.633 176.229 174.600 -0.007 0.000 1.021 4135 S CA 0.972 59.168 58.200 -0.008 0.000 0.974 4135 S CB -0.070 63.125 63.200 -0.009 0.000 0.800 4135 S HN 0.502 nan 8.310 nan 0.000 0.484 4136 G N 0.595 109.389 108.800 -0.010 0.000 2.155 4136 G HA2 -0.170 3.810 3.960 0.034 0.000 0.257 4136 G HA3 -0.170 3.810 3.960 0.034 0.000 0.257 4136 G C 0.647 175.541 174.900 -0.009 0.000 0.983 4136 G CA 0.230 45.325 45.100 -0.008 0.000 0.676 4136 G HN 1.451 nan 8.290 nan 0.000 0.528 4137 A N -1.185 121.629 122.820 -0.011 0.000 2.343 4137 A HA 0.702 5.043 4.320 0.034 0.000 0.223 4137 A C 0.796 178.372 177.584 -0.014 0.000 1.214 4137 A CA 1.030 53.061 52.037 -0.011 0.000 0.900 4137 A CB 0.758 19.753 19.000 -0.009 0.000 0.942 4137 A HN 0.965 nan 8.150 nan 0.000 0.507 4138 V N 0.656 120.560 119.914 -0.018 0.000 2.513 4138 V HA 0.263 4.404 4.120 0.034 0.000 0.299 4138 V C 0.094 176.173 176.094 -0.025 0.000 1.035 4138 V CA -0.534 61.753 62.300 -0.021 0.000 0.889 4138 V CB 1.734 33.541 31.823 -0.026 0.000 0.988 4138 V HN 0.379 nan 8.190 nan 0.000 0.440 4139 D N 1.622 122.008 120.400 -0.025 0.000 2.338 4139 D HA 0.089 4.750 4.640 0.034 0.000 0.224 4139 D C 0.319 176.599 176.300 -0.033 0.000 0.967 4139 D CA 1.201 55.186 54.000 -0.026 0.000 0.896 4139 D CB 1.569 42.356 40.800 -0.022 0.000 1.028 4139 D HN 0.399 nan 8.370 nan 0.000 0.493 4140 V N 0.806 120.698 119.914 -0.036 0.000 2.709 4140 V HA 0.514 4.654 4.120 0.034 0.000 0.308 4140 V C -1.529 174.527 176.094 -0.063 0.000 1.062 4140 V CA -0.715 61.556 62.300 -0.050 0.000 0.901 4140 V CB 2.170 33.968 31.823 -0.041 0.000 1.003 4140 V HN -0.094 nan 8.190 nan 0.000 0.425 4141 I N 6.543 127.049 120.570 -0.106 0.000 2.465 4141 I HA 0.633 4.823 4.170 0.034 0.000 0.291 4141 I C -0.563 175.414 176.117 -0.232 0.000 1.014 4141 I CA -1.040 60.170 61.300 -0.150 0.000 1.093 4141 I CB 2.026 39.923 38.000 -0.172 0.000 1.267 4141 I HN 0.634 nan 8.210 nan 0.000 0.431 4142 V N 7.136 126.880 119.914 -0.284 0.000 2.495 4142 V HA 0.572 4.713 4.120 0.034 0.000 0.298 4142 V C -0.805 174.931 176.094 -0.597 0.000 1.031 4142 V CA -0.359 61.690 62.300 -0.419 0.000 0.871 4142 V CB 2.002 33.621 31.823 -0.339 0.000 0.988 4142 V HN 0.441 nan 8.190 nan 0.000 0.432 4143 V N 5.965 125.569 119.914 -0.517 0.000 2.333 4143 V HA 0.389 4.530 4.120 0.034 0.000 0.274 4143 V C -0.010 175.921 176.094 -0.271 0.000 1.028 4143 V CA -0.340 61.730 62.300 -0.383 0.000 0.851 4143 V CB 1.185 32.844 31.823 -0.275 0.000 1.000 4143 V HN 0.958 nan 8.190 nan 0.000 0.456 4144 D N 3.697 123.900 120.400 -0.328 0.000 2.393 4144 D HA 0.294 4.954 4.640 0.034 0.000 0.232 4144 D C 0.010 176.317 176.300 0.012 0.000 1.192 4144 D CA 0.636 54.555 54.000 -0.135 0.000 0.882 4144 D CB 0.756 41.532 40.800 -0.041 0.000 1.038 4144 D HN 0.632 nan 8.370 nan 0.000 0.499 4145 S N 1.295 117.030 115.700 0.059 0.000 3.080 4145 S HA -0.162 4.329 4.470 0.034 0.000 0.790 4145 S C 1.089 175.746 174.600 0.096 0.000 0.736 4145 S CA 0.304 58.555 58.200 0.086 0.000 1.493 4145 S CB -0.846 62.403 63.200 0.081 0.000 1.047 4145 S HN 0.499 nan 8.310 nan 0.000 0.709 4146 V N 2.836 122.814 119.914 0.106 0.000 2.626 4146 V HA 0.054 4.194 4.120 0.034 0.000 0.252 4146 V C 2.232 178.343 176.094 0.027 0.000 1.067 4146 V CA 2.370 64.704 62.300 0.058 0.000 1.081 4146 V CB -0.896 30.900 31.823 -0.046 0.000 0.686 4146 V HN 1.441 nan 8.190 nan 0.000 0.468 4147 A N 0.512 123.352 122.820 0.034 0.000 2.024 4147 A HA 0.134 4.474 4.320 0.034 0.000 0.220 4147 A C 2.336 179.940 177.584 0.033 0.000 1.164 4147 A CA 1.985 54.038 52.037 0.025 0.000 0.643 4147 A CB -0.813 18.205 19.000 0.031 0.000 0.806 4147 A HN 1.150 nan 8.150 nan 0.000 0.451 4148 A N -1.411 121.440 122.820 0.053 0.000 2.275 4148 A HA 0.437 4.777 4.320 0.034 0.000 0.212 4148 A C 0.431 178.054 177.584 0.064 0.000 1.201 4148 A CA -0.103 51.973 52.037 0.066 0.000 0.843 4148 A CB -0.133 18.925 19.000 0.097 0.000 0.873 4148 A HN 0.270 nan 8.150 nan 0.000 0.492 4149 L N 2.447 123.701 121.223 0.051 0.000 2.448 4149 L HA 0.180 4.541 4.340 0.034 0.000 0.278 4149 L C -0.045 176.841 176.870 0.026 0.000 1.201 4149 L CA 0.741 55.607 54.840 0.044 0.000 1.036 4149 L CB -0.681 41.401 42.059 0.039 0.000 1.325 4149 L HN 0.085 nan 8.230 nan 0.000 0.441 4150 T N 4.860 119.432 114.554 0.030 0.000 2.743 4150 T HA 0.345 4.715 4.350 0.034 0.000 0.293 4150 T C -2.253 172.454 174.700 0.012 0.000 0.945 4150 T CA -1.368 60.742 62.100 0.017 0.000 1.030 4150 T CB 0.941 69.819 68.868 0.016 0.000 0.912 4150 T HN 0.207 nan 8.240 nan 0.000 0.483 4151 P HA 0.046 nan 4.420 nan 0.000 0.266 4151 P C 1.048 178.348 177.300 0.001 0.000 1.193 4151 P CA -0.319 62.781 63.100 -0.000 0.000 0.770 4151 P CB 0.714 32.410 31.700 -0.007 0.000 0.836 4152 K N 2.969 123.369 120.400 0.001 0.000 2.074 4152 K HA -0.239 4.102 4.320 0.034 0.000 0.209 4152 K C 1.715 178.314 176.600 -0.002 0.000 1.048 4152 K CA 2.009 58.296 56.287 0.001 0.000 0.926 4152 K CB -0.593 31.907 32.500 -0.001 0.000 0.713 4152 K HN 0.486 nan 8.250 nan 0.000 0.444 4153 A N 1.199 124.016 122.820 -0.005 0.000 1.933 4153 A HA -0.158 4.182 4.320 0.034 0.000 0.218 4153 A C 1.268 178.849 177.584 -0.005 0.000 1.175 4153 A CA 1.035 53.068 52.037 -0.006 0.000 0.628 4153 A CB -0.344 18.650 19.000 -0.009 0.000 0.814 4153 A HN 0.599 nan 8.150 nan 0.000 0.444 4166 L N 1.055 122.266 121.223 -0.020 0.000 2.109 4166 L HA 0.353 4.714 4.340 0.034 0.000 0.207 4166 L C 2.841 179.697 176.870 -0.022 0.000 1.086 4166 L CA 2.708 57.536 54.840 -0.020 0.000 0.760 4166 L CB -0.113 41.936 42.059 -0.017 0.000 0.910 4166 L HN 0.288 nan 8.230 nan 0.000 0.437 4167 A N -0.805 122.001 122.820 -0.023 0.000 1.930 4167 A HA -0.070 4.271 4.320 0.034 0.000 0.217 4167 A C 2.417 179.978 177.584 -0.038 0.000 1.175 4167 A CA 1.495 53.515 52.037 -0.028 0.000 0.627 4167 A CB -0.933 18.051 19.000 -0.026 0.000 0.815 4167 A HN 0.482 nan 8.150 nan 0.000 0.443 4168 A N 0.821 123.621 122.820 -0.034 0.000 1.877 4168 A HA -0.174 4.166 4.320 0.034 0.000 0.216 4168 A C 2.253 179.817 177.584 -0.032 0.000 1.186 4168 A CA 1.785 53.801 52.037 -0.034 0.000 0.620 4168 A CB -0.531 18.454 19.000 -0.025 0.000 0.822 4168 A HN 0.693 nan 8.150 nan 0.000 0.443 4169 R N -0.606 119.878 120.500 -0.027 0.000 2.148 4169 R HA -0.003 4.357 4.340 0.034 0.000 0.227 4169 R C 2.091 178.373 176.300 -0.030 0.000 1.103 4169 R CA 1.594 57.679 56.100 -0.025 0.000 0.983 4169 R CB -0.490 29.797 30.300 -0.021 0.000 0.874 4169 R HN 0.539 nan 8.270 nan 0.000 0.451 4170 M N 0.302 119.882 119.600 -0.034 0.000 2.099 4170 M HA -0.110 4.391 4.480 0.034 0.000 0.262 4170 M C 1.876 178.143 176.300 -0.054 0.000 1.067 4170 M CA 1.548 56.827 55.300 -0.035 0.000 1.124 4170 M CB 0.032 32.614 32.600 -0.029 0.000 1.353 4170 M HN 0.226 nan 8.290 nan 0.000 0.410 4171 M N -0.502 119.053 119.600 -0.075 0.000 2.117 4171 M HA -0.175 4.325 4.480 0.034 0.000 0.262 4171 M C 2.432 178.654 176.300 -0.130 0.000 1.065 4171 M CA 1.537 56.762 55.300 -0.125 0.000 1.114 4171 M CB -1.393 31.117 32.600 -0.150 0.000 1.361 4171 M HN 0.385 nan 8.290 nan 0.000 0.408 4172 S N -0.151 115.500 115.700 -0.081 0.000 2.368 4172 S HA -0.201 4.290 4.470 0.034 0.000 0.225 4172 S C 1.895 176.443 174.600 -0.087 0.000 1.030 4172 S CA 1.471 59.633 58.200 -0.063 0.000 0.999 4172 S CB -0.131 63.059 63.200 -0.016 0.000 0.844 4172 S HN 0.539 nan 8.310 nan 0.000 0.459 4173 Q N 0.023 119.786 119.800 -0.061 0.000 2.079 4173 Q HA -0.039 4.321 4.340 0.034 0.000 0.200 4173 Q C 2.203 178.159 176.000 -0.073 0.000 0.974 4173 Q CA 1.250 57.028 55.803 -0.042 0.000 0.840 4173 Q CB -0.374 28.361 28.738 -0.006 0.000 0.898 4173 Q HN 0.622 nan 8.270 nan 0.000 0.430 4174 A N 0.886 123.654 122.820 -0.087 0.000 1.883 4174 A HA -0.213 4.128 4.320 0.034 0.000 0.217 4174 A C 2.051 179.541 177.584 -0.157 0.000 1.186 4174 A CA 1.663 53.650 52.037 -0.083 0.000 0.624 4174 A CB -0.498 18.471 19.000 -0.052 0.000 0.822 4174 A HN 0.392 nan 8.150 nan 0.000 0.444 4175 M N -1.041 118.374 119.600 -0.309 0.000 2.080 4175 M HA -0.134 4.367 4.480 0.034 0.000 0.260 4175 M C 2.163 178.109 176.300 -0.590 0.000 1.068 4175 M CA 1.777 56.700 55.300 -0.628 0.000 1.109 4175 M CB -1.375 30.457 32.600 -1.281 0.000 1.342 4175 M HN 0.454 nan 8.290 nan 0.000 0.405 4176 R N 0.510 120.766 120.500 -0.407 0.000 2.134 4176 R HA -0.205 4.155 4.340 0.034 0.000 0.248 4176 R C 2.189 178.450 176.300 -0.066 0.000 1.143 4176 R CA 2.104 58.135 56.100 -0.114 0.000 0.957 4176 R CB -0.049 30.225 30.300 -0.044 0.000 0.867 4176 R HN 0.404 nan 8.270 nan 0.000 0.441 4177 K N -0.474 119.877 120.400 -0.082 0.000 2.098 4177 K HA -0.002 4.339 4.320 0.034 0.000 0.203 4177 K C 2.082 178.643 176.600 -0.065 0.000 1.051 4177 K CA 0.877 57.132 56.287 -0.054 0.000 0.957 4177 K CB 0.021 32.500 32.500 -0.035 0.000 0.738 4177 K HN 0.140 nan 8.250 nan 0.000 0.447 4178 L N 0.820 121.998 121.223 -0.075 0.000 2.072 4178 L HA -0.116 4.245 4.340 0.034 0.000 0.205 4178 L C 2.601 179.427 176.870 -0.073 0.000 1.079 4178 L CA 0.904 55.710 54.840 -0.057 0.000 0.752 4178 L CB -0.574 41.476 42.059 -0.016 0.000 0.906 4178 L HN 0.195 nan 8.230 nan 0.000 0.436 4179 A N 0.532 123.312 122.820 -0.067 0.000 1.892 4179 A HA -0.216 4.124 4.320 0.034 0.000 0.218 4179 A C 2.383 179.792 177.584 -0.290 0.000 1.188 4179 A CA 2.125 54.143 52.037 -0.033 0.000 0.631 4179 A CB -1.410 17.692 19.000 0.171 0.000 0.822 4179 A HN 0.454 nan 8.150 nan 0.000 0.447 4180 G N -0.637 107.896 108.800 -0.445 0.000 2.421 4180 G HA2 -0.272 3.709 3.960 0.034 0.000 0.216 4180 G HA3 -0.272 3.709 3.960 0.034 0.000 0.216 4180 G C 1.454 176.124 174.900 -0.384 0.000 1.171 4180 G CA 1.092 45.697 45.100 -0.824 0.000 0.775 4180 G HN 0.716 nan 8.290 nan 0.000 0.543 4181 N N -0.013 118.575 118.700 -0.188 0.000 2.166 4181 N HA -0.007 4.754 4.740 0.034 0.000 0.186 4181 N C 2.222 177.685 175.510 -0.078 0.000 1.019 4181 N CA 0.532 53.524 53.050 -0.097 0.000 0.856 4181 N CB -0.147 38.303 38.487 -0.062 0.000 0.993 4181 N HN 0.234 nan 8.380 nan 0.000 0.426 4182 L N 0.824 121.997 121.223 -0.084 0.000 2.046 4182 L HA -0.157 4.203 4.340 0.034 0.000 0.208 4182 L C 2.436 179.288 176.870 -0.029 0.000 1.077 4182 L CA 0.997 55.808 54.840 -0.048 0.000 0.747 4182 L CB -0.293 41.747 42.059 -0.033 0.000 0.896 4182 L HN 0.107 nan 8.230 nan 0.000 0.432 4183 K N 0.653 121.028 120.400 -0.041 0.000 2.026 4183 K HA -0.202 4.139 4.320 0.034 0.000 0.208 4183 K C 2.031 178.658 176.600 0.046 0.000 1.048 4183 K CA 1.622 57.932 56.287 0.039 0.000 0.929 4183 K CB -0.212 32.386 32.500 0.163 0.000 0.713 4183 K HN 0.211 nan 8.250 nan 0.000 0.439 4184 Q N -0.480 119.334 119.800 0.024 0.000 2.488 4184 Q HA 0.061 4.421 4.340 0.034 0.000 0.211 4184 Q C 0.704 176.715 176.000 0.018 0.000 0.967 4184 Q CA 1.120 56.946 55.803 0.037 0.000 0.926 4184 Q CB 0.357 29.120 28.738 0.042 0.000 0.992 4184 Q HN 0.270 nan 8.270 nan 0.000 0.506 4185 S N -0.149 115.553 115.700 0.004 0.000 2.559 4185 S HA 0.074 4.564 4.470 0.034 0.000 0.226 4185 S C 0.215 174.815 174.600 -0.001 0.000 1.000 4185 S CA -0.242 57.958 58.200 -0.001 0.000 0.948 4185 S CB 0.365 63.558 63.200 -0.012 0.000 0.870 4185 S HN 0.391 nan 8.310 nan 0.000 0.497 4186 N N 2.231 120.935 118.700 0.006 0.000 2.727 4186 N HA -0.139 4.622 4.740 0.034 0.000 0.249 4186 N C -1.207 174.299 175.510 -0.006 0.000 1.048 4186 N CA 0.848 53.901 53.050 0.005 0.000 0.714 4186 N CB -1.605 36.885 38.487 0.006 0.000 0.959 4186 N HN 0.345 nan 8.380 nan 0.000 0.544 4187 T N 0.801 115.347 114.554 -0.013 0.000 2.767 4187 T HA 0.444 4.815 4.350 0.034 0.000 0.284 4187 T C 0.233 174.915 174.700 -0.030 0.000 0.973 4187 T CA -0.681 61.403 62.100 -0.026 0.000 0.996 4187 T CB 1.541 70.388 68.868 -0.036 0.000 0.927 4187 T HN 0.277 nan 8.240 nan 0.000 0.456 4188 L N 4.670 125.871 121.223 -0.037 0.000 2.290 4188 L HA 0.531 4.892 4.340 0.034 0.000 0.284 4188 L C -0.830 175.992 176.870 -0.081 0.000 1.078 4188 L CA -0.272 54.542 54.840 -0.043 0.000 0.815 4188 L CB 0.293 42.330 42.059 -0.037 0.000 1.162 4188 L HN 0.612 nan 8.230 nan 0.000 0.435 4189 L N 7.031 128.196 121.223 -0.097 0.000 2.319 4189 L HA 0.527 4.887 4.340 0.034 0.000 0.281 4189 L C -0.979 175.757 176.870 -0.224 0.000 1.005 4189 L CA -0.469 54.248 54.840 -0.205 0.000 0.828 4189 L CB 1.210 43.129 42.059 -0.234 0.000 1.227 4189 L HN 0.669 nan 8.230 nan 0.000 0.415 4190 I N 4.516 124.923 120.570 -0.272 0.000 2.339 4190 I HA 0.282 4.473 4.170 0.034 0.000 0.290 4190 I C -0.838 175.097 176.117 -0.303 0.000 0.994 4190 I CA -0.335 60.854 61.300 -0.185 0.000 1.191 4190 I CB 1.353 39.292 38.000 -0.102 0.000 1.343 4190 I HN 0.387 nan 8.210 nan 0.000 0.458 4191 F N 6.550 126.484 119.950 -0.027 0.000 2.404 4191 F HA 0.476 5.024 4.527 0.035 0.000 0.354 4191 F C 0.392 176.191 175.800 -0.001 0.000 1.122 4191 F CA -0.438 57.545 58.000 -0.028 0.000 1.080 4191 F CB 1.033 40.029 39.000 -0.006 0.000 1.131 4191 F HN 0.214 nan 8.300 nan 0.000 0.471 4192 I N 3.479 124.146 120.570 0.162 0.000 2.428 4192 I HA 0.210 4.401 4.170 0.034 0.000 0.289 4192 I C -0.147 176.065 176.117 0.159 0.000 1.019 4192 I CA -0.096 61.286 61.300 0.137 0.000 1.351 4192 I CB 1.110 39.161 38.000 0.085 0.000 1.412 4192 I HN 0.644 nan 8.210 nan 0.000 0.513 4193 N N 3.953 122.753 118.700 0.165 0.000 2.312 4193 N HA 0.394 5.154 4.740 0.034 0.000 0.296 4193 N C -1.270 174.322 175.510 0.136 0.000 1.193 4193 N CA -0.691 52.438 53.050 0.131 0.000 0.773 4193 N CB 1.801 40.351 38.487 0.105 0.000 1.435 4193 N HN 0.540 nan 8.380 nan 0.000 0.484 4194 Q N 0.748 120.600 119.800 0.086 0.000 2.194 4194 Q HA 0.518 4.878 4.340 0.034 0.000 0.245 4194 Q C -0.691 175.340 176.000 0.051 0.000 0.993 4194 Q CA -0.677 55.173 55.803 0.079 0.000 0.930 4194 Q CB 2.028 30.799 28.738 0.054 0.000 1.238 4194 Q HN 0.468 nan 8.270 nan 0.000 0.486 4195 I N 1.214 121.816 120.570 0.053 0.000 2.412 4195 I HA 0.386 4.576 4.170 0.034 0.000 0.296 4195 I C -0.265 175.854 176.117 0.005 0.000 0.987 4195 I CA -0.723 60.590 61.300 0.023 0.000 1.180 4195 I CB 0.981 39.019 38.000 0.064 0.000 1.340 4195 I HN 0.323 nan 8.210 nan 0.000 0.455 4196 R N 5.066 125.554 120.500 -0.019 0.000 2.803 4196 R HA 0.538 4.899 4.340 0.034 0.000 0.276 4196 R C -1.047 175.242 176.300 -0.018 0.000 0.978 4196 R CA -1.172 54.919 56.100 -0.015 0.000 0.939 4196 R CB 1.905 32.192 30.300 -0.021 0.000 1.179 4196 R HN 0.424 nan 8.270 nan 0.000 0.472 4197 M N 2.498 122.092 119.600 -0.011 0.000 2.131 4197 M HA 0.277 4.777 4.480 0.034 0.000 0.345 4197 M C -0.260 176.033 176.300 -0.011 0.000 1.060 4197 M CA -0.097 55.198 55.300 -0.008 0.000 1.011 4197 M CB 0.197 32.797 32.600 -0.001 0.000 1.328 4197 M HN 0.311 nan 8.290 nan 0.000 0.396 4206 P HA 0.103 nan 4.420 nan 0.000 0.249 4206 P C -0.523 176.770 177.300 -0.011 0.000 1.229 4206 P CA 0.520 63.616 63.100 -0.007 0.000 0.788 4206 P CB 0.396 32.094 31.700 -0.004 0.000 1.072 4207 E N 0.369 120.564 120.200 -0.009 0.000 2.331 4207 E HA 0.318 4.689 4.350 0.034 0.000 0.272 4207 E C -0.032 176.534 176.600 -0.056 0.000 1.036 4207 E CA 0.151 56.540 56.400 -0.018 0.000 0.864 4207 E CB 0.919 30.625 29.700 0.009 0.000 1.035 4207 E HN 0.131 nan 8.360 nan 0.000 0.408 4208 T N 0.240 114.747 114.554 -0.079 0.000 2.669 4208 T HA 0.458 4.829 4.350 0.034 0.000 0.283 4208 T C -0.358 174.239 174.700 -0.171 0.000 1.019 4208 T CA -0.741 61.282 62.100 -0.128 0.000 1.039 4208 T CB 1.753 70.567 68.868 -0.090 0.000 1.374 4208 T HN 0.304 nan 8.240 nan 0.000 0.523 4209 T N 0.947 115.390 114.554 -0.186 0.000 2.906 4209 T HA 0.622 4.993 4.350 0.034 0.000 0.295 4209 T C -0.581 174.053 174.700 -0.110 0.000 1.075 4209 T CA -0.410 61.573 62.100 -0.195 0.000 1.005 4209 T CB 1.633 70.302 68.868 -0.331 0.000 1.136 4209 T HN 0.661 nan 8.240 nan 0.000 0.498 4210 T N 1.072 115.580 114.554 -0.076 0.000 2.882 4210 T HA 0.513 4.884 4.350 0.034 0.000 0.287 4210 T C 1.255 175.914 174.700 -0.068 0.000 1.014 4210 T CA 0.671 62.739 62.100 -0.055 0.000 1.049 4210 T CB 0.814 69.665 68.868 -0.029 0.000 1.001 4210 T HN 1.099 nan 8.240 nan 0.000 0.525 4211 G N 0.223 108.988 108.800 -0.060 0.000 2.141 4211 G HA2 0.207 4.188 3.960 0.034 0.000 0.242 4211 G HA3 0.207 4.188 3.960 0.034 0.000 0.242 4211 G C 0.674 175.534 174.900 -0.067 0.000 0.982 4211 G CA 0.116 45.173 45.100 -0.071 0.000 0.662 4211 G HN 1.738 nan 8.290 nan 0.000 0.527 4212 G N -0.512 108.258 108.800 -0.050 0.000 2.587 4212 G HA2 -0.066 3.915 3.960 0.034 0.000 0.212 4212 G HA3 -0.066 3.915 3.960 0.034 0.000 0.212 4212 G C 0.385 175.281 174.900 -0.005 0.000 1.327 4212 G CA 0.507 45.592 45.100 -0.025 0.000 0.898 4212 G HN 0.861 nan 8.290 nan 0.000 0.551 4213 N N 0.273 119.003 118.700 0.051 0.000 2.388 4213 N HA 0.218 4.979 4.740 0.034 0.000 0.176 4213 N C 2.491 178.154 175.510 0.255 0.000 1.062 4213 N CA 1.425 54.554 53.050 0.132 0.000 0.895 4213 N CB -0.107 38.502 38.487 0.205 0.000 1.018 4213 N HN 0.914 nan 8.380 nan 0.000 0.456 4214 A N 1.588 124.531 122.820 0.205 0.000 1.873 4214 A HA -0.162 4.179 4.320 0.034 0.000 0.218 4214 A C 2.161 179.952 177.584 0.345 0.000 1.193 4214 A CA 1.227 53.445 52.037 0.301 0.000 0.629 4214 A CB -0.823 18.250 19.000 0.120 0.000 0.826 4214 A HN 0.219 nan 8.150 nan 0.000 0.447 4215 L N -0.114 121.175 121.223 0.109 0.000 2.079 4215 L HA -0.176 4.184 4.340 0.034 0.000 0.210 4215 L C 2.226 179.160 176.870 0.107 0.000 1.081 4215 L CA 2.271 57.142 54.840 0.053 0.000 0.752 4215 L CB -0.616 41.360 42.059 -0.137 0.000 0.896 4215 L HN 0.390 nan 8.230 nan 0.000 0.433 4216 K N -1.162 119.261 120.400 0.039 0.000 2.059 4216 K HA -0.242 4.099 4.320 0.034 0.000 0.212 4216 K C 2.044 178.582 176.600 -0.104 0.000 1.050 4216 K CA 2.232 58.465 56.287 -0.090 0.000 0.927 4216 K CB -0.467 31.873 32.500 -0.265 0.000 0.714 4216 K HN 0.287 nan 8.250 nan 0.000 0.447 4217 F N -0.841 119.143 119.950 0.056 0.000 2.163 4217 F HA -0.129 4.418 4.527 0.034 0.000 0.297 4217 F C 2.011 177.776 175.800 -0.059 0.000 1.094 4217 F CA 1.082 59.069 58.000 -0.022 0.000 1.290 4217 F CB -0.288 38.661 39.000 -0.086 0.000 1.017 4217 F HN 0.021 nan 8.300 nan 0.000 0.483 4218 Y N -0.022 120.404 120.300 0.210 0.000 2.519 4218 Y HA 0.255 4.826 4.550 0.034 0.000 0.287 4218 Y C 1.508 177.473 175.900 0.107 0.000 1.128 4218 Y CA -0.120 58.067 58.100 0.145 0.000 1.282 4218 Y CB -0.616 37.914 38.460 0.118 0.000 1.027 4218 Y HN -0.122 nan 8.280 nan 0.000 0.551 4219 A N -0.188 122.760 122.820 0.213 0.000 2.488 4219 A HA 0.175 4.516 4.320 0.034 0.000 0.249 4219 A C 1.255 178.886 177.584 0.079 0.000 1.083 4219 A CA 0.264 52.388 52.037 0.144 0.000 0.768 4219 A CB 0.240 19.308 19.000 0.114 0.000 1.017 4219 A HN 0.309 nan 8.150 nan 0.000 0.496 4220 S N 0.644 116.383 115.700 0.065 0.000 2.446 4220 S HA 0.140 4.630 4.470 0.034 0.000 0.225 4220 S C 0.431 175.015 174.600 -0.027 0.000 1.016 4220 S CA 0.605 58.813 58.200 0.014 0.000 0.943 4220 S CB 0.031 63.242 63.200 0.020 0.000 0.786 4220 S HN 0.568 nan 8.310 nan 0.000 0.508 4221 V N 2.137 122.047 119.914 -0.007 0.000 2.760 4221 V HA 0.483 4.624 4.120 0.034 0.000 0.309 4221 V C -0.782 175.313 176.094 0.002 0.000 1.077 4221 V CA -0.885 61.396 62.300 -0.032 0.000 0.910 4221 V CB 2.125 33.930 31.823 -0.030 0.000 1.008 4221 V HN 0.124 nan 8.190 nan 0.000 0.424 4222 R N 3.893 124.383 120.500 -0.016 0.000 2.561 4222 R HA 0.690 5.051 4.340 0.034 0.000 0.297 4222 R C -1.901 174.383 176.300 -0.028 0.000 0.969 4222 R CA -0.900 55.221 56.100 0.036 0.000 0.879 4222 R CB 2.306 32.670 30.300 0.106 0.000 1.178 4222 R HN 0.349 nan 8.270 nan 0.000 0.445 4223 L N 2.311 123.491 121.223 -0.072 0.000 2.333 4223 L HA 0.295 4.656 4.340 0.034 0.000 0.280 4223 L C -0.349 176.248 176.870 -0.454 0.000 1.004 4223 L CA -0.555 54.186 54.840 -0.166 0.000 0.820 4223 L CB 1.540 43.550 42.059 -0.081 0.000 1.247 4223 L HN 0.491 nan 8.230 nan 0.000 0.416 4224 D N 4.328 124.446 120.400 -0.471 0.000 2.412 4224 D HA 0.270 4.931 4.640 0.034 0.000 0.224 4224 D C -0.707 175.425 176.300 -0.281 0.000 1.093 4224 D CA -0.185 53.429 54.000 -0.643 0.000 0.850 4224 D CB 0.922 41.464 40.800 -0.430 0.000 1.046 4224 D HN 0.459 nan 8.370 nan 0.000 0.507 4225 I N 3.390 123.826 120.570 -0.223 0.000 2.412 4225 I HA 0.498 4.689 4.170 0.034 0.000 0.296 4225 I C -0.721 175.357 176.117 -0.065 0.000 0.987 4225 I CA -0.668 60.575 61.300 -0.096 0.000 1.180 4225 I CB 0.703 38.688 38.000 -0.024 0.000 1.340 4225 I HN 0.262 nan 8.210 nan 0.000 0.455 4226 R N 5.493 125.952 120.500 -0.067 0.000 2.626 4226 R HA 0.381 4.742 4.340 0.034 0.000 0.274 4226 R C -1.139 175.126 176.300 -0.059 0.000 1.031 4226 R CA -0.911 55.163 56.100 -0.044 0.000 0.898 4226 R CB 2.052 32.331 30.300 -0.035 0.000 1.222 4226 R HN 0.565 nan 8.270 nan 0.000 0.455 4227 R N 4.014 124.498 120.500 -0.025 0.000 2.267 4227 R HA 0.198 4.559 4.340 0.034 0.000 0.319 4227 R C 0.685 176.969 176.300 -0.027 0.000 1.067 4227 R CA 0.037 56.123 56.100 -0.023 0.000 0.936 4227 R CB 0.405 30.716 30.300 0.017 0.000 1.006 4227 R HN 0.761 nan 8.270 nan 0.000 0.452 4228 I N 0.682 121.225 120.570 -0.046 0.000 4.082 4228 I HA 0.500 4.691 4.170 0.034 0.000 0.337 4228 I C 0.392 176.493 176.117 -0.026 0.000 1.352 4228 I CA -0.222 61.056 61.300 -0.038 0.000 1.097 4228 I CB 0.959 38.925 38.000 -0.055 0.000 1.048 4228 I HN 0.663 nan 8.210 nan 0.000 0.393 4229 G N 1.042 109.830 108.800 -0.020 0.000 2.322 4229 G HA2 0.605 4.586 3.960 0.034 0.000 0.295 4229 G HA3 0.605 4.586 3.960 0.034 0.000 0.295 4229 G C -1.968 172.931 174.900 -0.002 0.000 1.369 4229 G CA -0.238 44.856 45.100 -0.010 0.000 0.821 4229 G HN 0.322 nan 8.290 nan 0.000 0.536 4230 A N -0.699 122.123 122.820 0.003 0.000 2.324 4230 A HA 0.777 5.118 4.320 0.034 0.000 0.330 4230 A C -0.252 177.321 177.584 -0.018 0.000 1.165 4230 A CA -0.543 51.498 52.037 0.007 0.000 0.813 4230 A CB 1.558 20.574 19.000 0.027 0.000 1.197 4230 A HN 1.471 nan 8.150 nan 0.000 0.484 4231 V N 3.054 122.939 119.914 -0.047 0.000 2.383 4231 V HA 0.339 4.480 4.120 0.034 0.000 0.275 4231 V C 0.101 176.168 176.094 -0.045 0.000 1.036 4231 V CA -0.267 61.997 62.300 -0.061 0.000 0.889 4231 V CB 0.868 32.628 31.823 -0.106 0.000 0.985 4231 V HN 0.837 nan 8.190 nan 0.000 0.459 4232 K N 3.432 123.818 120.400 -0.024 0.000 2.345 4232 K HA 0.452 4.792 4.320 0.034 0.000 0.255 4232 K C -0.650 175.946 176.600 -0.007 0.000 0.934 4232 K CA -0.721 55.562 56.287 -0.008 0.000 0.801 4232 K CB 2.404 34.905 32.500 0.002 0.000 1.137 4232 K HN 0.517 nan 8.250 nan 0.000 0.424 4233 E N 2.279 122.479 120.200 -0.000 0.000 2.069 4233 E HA 0.110 4.480 4.350 0.034 0.000 0.254 4233 E C 0.815 177.419 176.600 0.006 0.000 1.088 4233 E CA -0.022 56.379 56.400 0.002 0.000 1.017 4233 E CB 0.685 30.389 29.700 0.006 0.000 1.226 4233 E HN 0.986 nan 8.360 nan 0.000 0.458 4234 G N 3.686 112.488 108.800 0.003 0.000 3.434 4234 G HA2 -0.449 3.532 3.960 0.034 0.000 0.343 4234 G HA3 -0.449 3.532 3.960 0.034 0.000 0.343 4234 G C 1.123 176.028 174.900 0.009 0.000 1.240 4234 G CA 0.702 45.805 45.100 0.005 0.000 0.996 4234 G HN 0.488 nan 8.290 nan 0.000 0.650 4235 E N 1.939 122.146 120.200 0.011 0.000 2.033 4235 E HA -0.021 4.350 4.350 0.034 0.000 0.189 4235 E C 1.094 177.708 176.600 0.022 0.000 0.979 4235 E CA 1.044 57.453 56.400 0.015 0.000 0.802 4235 E CB -0.376 29.332 29.700 0.015 0.000 0.763 4235 E HN 0.759 nan 8.360 nan 0.000 0.449 4236 N N 1.307 120.022 118.700 0.025 0.000 2.514 4236 N HA 0.165 4.925 4.740 0.034 0.000 0.277 4236 N C -0.737 174.801 175.510 0.046 0.000 1.126 4236 N CA -0.246 52.828 53.050 0.039 0.000 0.978 4236 N CB 1.665 40.178 38.487 0.043 0.000 1.106 4236 N HN -0.193 nan 8.380 nan 0.000 0.461 4237 V N 2.429 122.386 119.914 0.072 0.000 2.405 4237 V HA 0.020 4.161 4.120 0.034 0.000 0.264 4237 V C 0.763 176.942 176.094 0.142 0.000 1.048 4237 V CA -0.089 62.269 62.300 0.098 0.000 0.966 4237 V CB 0.997 32.901 31.823 0.135 0.000 1.015 4237 V HN 0.626 nan 8.190 nan 0.000 0.477 4238 V N 4.380 124.305 119.914 0.017 0.000 3.605 4238 V HA 0.624 4.765 4.120 0.034 0.000 0.284 4238 V C 0.836 176.653 176.094 -0.462 0.000 1.386 4238 V CA 1.196 63.471 62.300 -0.043 0.000 1.053 4238 V CB 0.370 32.179 31.823 -0.023 0.000 0.857 4238 V HN 0.928 nan 8.190 nan 0.000 0.436 4239 G N -1.064 107.337 108.800 -0.665 0.000 2.550 4239 G HA2 0.494 4.475 3.960 0.034 0.000 0.293 4239 G HA3 0.494 4.475 3.960 0.034 0.000 0.293 4239 G C -1.482 173.098 174.900 -0.535 0.000 1.402 4239 G CA -0.263 44.192 45.100 -1.076 0.000 0.784 4239 G HN 0.011 nan 8.290 nan 0.000 0.482 4240 S N -0.155 115.361 115.700 -0.307 0.000 2.449 4240 S HA 0.511 5.002 4.470 0.034 0.000 0.310 4240 S C -0.464 174.106 174.600 -0.050 0.000 1.096 4240 S CA -0.438 57.745 58.200 -0.028 0.000 1.095 4240 S CB 1.753 65.032 63.200 0.132 0.000 1.007 4240 S HN 0.577 nan 8.310 nan 0.000 0.474 4241 E N 2.079 122.247 120.200 -0.052 0.000 2.290 4241 E HA 0.341 4.711 4.350 0.034 0.000 0.277 4241 E C -0.669 175.852 176.600 -0.132 0.000 1.035 4241 E CA 0.305 56.656 56.400 -0.082 0.000 0.873 4241 E CB 0.555 30.218 29.700 -0.061 0.000 1.029 4241 E HN 0.462 nan 8.360 nan 0.000 0.419 4242 T N 4.881 119.276 114.554 -0.266 0.000 2.876 4242 T HA 0.490 4.861 4.350 0.034 0.000 0.289 4242 T C -0.670 173.713 174.700 -0.527 0.000 1.014 4242 T CA -0.749 61.104 62.100 -0.412 0.000 0.986 4242 T CB 1.270 69.786 68.868 -0.587 0.000 1.021 4242 T HN 0.313 nan 8.240 nan 0.000 0.458 4243 R N 1.974 122.265 120.500 -0.348 0.000 2.534 4243 R HA 0.714 5.075 4.340 0.034 0.000 0.301 4243 R C -1.721 174.466 176.300 -0.189 0.000 0.961 4243 R CA -0.560 55.384 56.100 -0.260 0.000 0.871 4243 R CB 1.374 31.591 30.300 -0.137 0.000 1.170 4243 R HN 0.446 nan 8.270 nan 0.000 0.446 4244 V N 4.490 124.331 119.914 -0.123 0.000 2.487 4244 V HA 0.390 4.531 4.120 0.034 0.000 0.298 4244 V C -0.406 175.677 176.094 -0.018 0.000 1.028 4244 V CA -0.857 61.420 62.300 -0.039 0.000 0.860 4244 V CB 1.817 33.685 31.823 0.076 0.000 0.991 4244 V HN 0.683 nan 8.190 nan 0.000 0.427 4245 K N 2.975 123.354 120.400 -0.035 0.000 2.185 4245 K HA 0.597 4.938 4.320 0.034 0.000 0.269 4245 K C -0.861 175.727 176.600 -0.021 0.000 0.987 4245 K CA -0.703 55.585 56.287 0.001 0.000 0.865 4245 K CB 2.236 34.755 32.500 0.032 0.000 1.090 4245 K HN 0.465 nan 8.250 nan 0.000 0.450 4246 V N 4.461 124.367 119.914 -0.013 0.000 2.370 4246 V HA -0.008 4.133 4.120 0.034 0.000 0.257 4246 V C 1.009 177.021 176.094 -0.136 0.000 1.064 4246 V CA -0.002 62.251 62.300 -0.078 0.000 0.975 4246 V CB 0.801 32.566 31.823 -0.097 0.000 1.067 4246 V HN 0.683 nan 8.190 nan 0.000 0.485 4247 V N 4.196 124.048 119.914 -0.104 0.000 2.878 4247 V HA 0.130 4.271 4.120 0.034 0.000 0.250 4247 V C 0.906 176.858 176.094 -0.236 0.000 1.075 4247 V CA 1.228 63.500 62.300 -0.048 0.000 1.096 4247 V CB 0.097 31.981 31.823 0.102 0.000 0.724 4247 V HN 0.803 nan 8.190 nan 0.000 0.467 4248 K N 0.814 121.077 120.400 -0.227 0.000 2.501 4248 K HA 0.395 4.736 4.320 0.034 0.000 0.252 4248 K C -1.574 174.873 176.600 -0.256 0.000 0.934 4248 K CA -0.569 55.560 56.287 -0.263 0.000 0.797 4248 K CB 1.756 34.177 32.500 -0.131 0.000 1.270 4248 K HN 0.114 nan 8.250 nan 0.000 0.431 4249 N N 3.007 121.520 118.700 -0.313 0.000 2.503 4249 N HA 0.227 4.988 4.740 0.034 0.000 0.287 4249 N C -0.928 174.414 175.510 -0.280 0.000 1.096 4249 N CA -0.386 52.504 53.050 -0.268 0.000 0.936 4249 N CB 1.843 40.155 38.487 -0.293 0.000 1.570 4249 N HN 0.676 nan 8.380 nan 0.000 0.504 4250 K N 2.283 122.558 120.400 -0.208 0.000 2.353 4250 K HA 0.290 4.631 4.320 0.034 0.000 0.195 4250 K C 1.339 177.801 176.600 -0.231 0.000 1.031 4250 K CA 0.304 56.462 56.287 -0.215 0.000 1.079 4250 K CB 0.363 32.793 32.500 -0.117 0.000 0.857 4250 K HN 0.682 nan 8.250 nan 0.000 0.535 4251 I N -4.109 116.347 120.570 -0.191 0.000 4.181 4251 I HA 0.399 4.590 4.170 0.034 0.000 0.331 4251 I C 0.257 176.288 176.117 -0.143 0.000 1.312 4251 I CA -0.439 60.776 61.300 -0.141 0.000 1.146 4251 I CB 0.872 38.826 38.000 -0.077 0.000 1.074 4251 I HN -0.169 nan 8.210 nan 0.000 0.402 4252 A N 1.161 123.865 122.820 -0.193 0.000 2.536 4252 A HA 0.799 5.139 4.320 0.034 0.000 0.293 4252 A C -0.680 176.765 177.584 -0.231 0.000 1.119 4252 A CA -0.249 51.696 52.037 -0.154 0.000 0.654 4252 A CB 0.250 19.200 19.000 -0.083 0.000 1.291 4252 A HN 0.332 nan 8.150 nan 0.000 0.439 4253 A N 1.253 123.974 122.820 -0.165 0.000 2.561 4253 A HA 0.537 4.878 4.320 0.034 0.000 0.234 4253 A C -1.979 175.424 177.584 -0.302 0.000 1.055 4253 A CA -0.090 51.801 52.037 -0.243 0.000 0.756 4253 A CB -0.755 18.237 19.000 -0.013 0.000 0.986 4253 A HN 0.562 nan 8.150 nan 0.000 0.505 4254 P HA 0.559 nan 4.420 nan 0.000 0.284 4254 P C -0.197 176.907 177.300 -0.326 0.000 1.292 4254 P CA -0.297 62.447 63.100 -0.593 0.000 0.800 4254 P CB 0.258 31.301 31.700 -1.095 0.000 1.188 4255 F N -4.471 115.455 119.950 -0.040 0.000 2.699 4255 F HA -0.192 4.355 4.527 0.034 0.000 0.343 4255 F C 0.670 176.477 175.800 0.012 0.000 0.633 4255 F CA 0.599 58.601 58.000 0.003 0.000 1.365 4255 F CB -2.432 36.592 39.000 0.040 0.000 1.795 4255 F HN 0.235 nan 8.300 nan 0.000 0.304 4256 K N 1.275 121.743 120.400 0.114 0.000 2.138 4256 K HA 0.516 4.857 4.320 0.034 0.000 0.251 4256 K C 0.466 177.105 176.600 0.065 0.000 1.015 4256 K CA -0.283 56.054 56.287 0.083 0.000 0.917 4256 K CB 0.783 33.312 32.500 0.048 0.000 1.021 4256 K HN 0.420 nan 8.250 nan 0.000 0.485 4257 Q N -0.349 119.484 119.800 0.055 0.000 2.456 4257 Q HA 0.731 5.092 4.340 0.034 0.000 0.283 4257 Q C -1.730 174.296 176.000 0.044 0.000 1.084 4257 Q CA -1.296 54.533 55.803 0.043 0.000 0.801 4257 Q CB 2.063 30.822 28.738 0.034 0.000 1.434 4257 Q HN 0.528 nan 8.270 nan 0.000 0.419 4258 A N 1.241 124.093 122.820 0.053 0.000 2.365 4258 A HA 0.672 5.013 4.320 0.034 0.000 0.318 4258 A C -1.211 176.388 177.584 0.025 0.000 1.091 4258 A CA -0.616 51.480 52.037 0.098 0.000 0.763 4258 A CB 1.682 20.809 19.000 0.212 0.000 1.248 4258 A HN 0.747 nan 8.150 nan 0.000 0.442 4259 E N 0.483 120.701 120.200 0.031 0.000 2.234 4259 E HA 0.655 5.026 4.350 0.034 0.000 0.266 4259 E C -1.430 175.175 176.600 0.008 0.000 0.877 4259 E CA -0.303 56.030 56.400 -0.111 0.000 0.758 4259 E CB 1.945 31.600 29.700 -0.074 0.000 1.170 4259 E HN 0.611 nan 8.360 nan 0.000 0.415 4260 F N -0.932 119.008 119.950 -0.017 0.000 2.779 4260 F HA 0.443 4.991 4.527 0.034 0.000 0.316 4260 F C -1.161 174.628 175.800 -0.018 0.000 1.164 4260 F CA -1.214 56.772 58.000 -0.023 0.000 0.924 4260 F CB 0.917 39.903 39.000 -0.023 0.000 1.348 4260 F HN 0.148 nan 8.300 nan 0.000 0.467 4261 Q N 1.313 121.278 119.800 0.275 0.000 2.245 4261 Q HA 0.653 5.014 4.340 0.034 0.000 0.256 4261 Q C -1.153 174.998 176.000 0.250 0.000 0.942 4261 Q CA -0.759 55.131 55.803 0.146 0.000 0.896 4261 Q CB 2.861 31.632 28.738 0.054 0.000 1.272 4261 Q HN 0.581 nan 8.270 nan 0.000 0.442 4262 I N 3.528 124.187 120.570 0.148 0.000 2.328 4262 I HA 0.241 4.431 4.170 0.034 0.000 0.287 4262 I C -0.640 175.451 176.117 -0.045 0.000 1.012 4262 I CA -0.448 60.937 61.300 0.142 0.000 1.195 4262 I CB 0.705 38.838 38.000 0.221 0.000 1.350 4262 I HN 0.357 nan 8.210 nan 0.000 0.464 4263 L N 6.991 128.198 121.223 -0.027 0.000 2.275 4263 L HA 0.356 4.717 4.340 0.034 0.000 0.288 4263 L C -0.599 176.281 176.870 0.017 0.000 1.046 4263 L CA -0.891 53.875 54.840 -0.124 0.000 0.805 4263 L CB 0.361 42.392 42.059 -0.046 0.000 1.193 4263 L HN 0.377 nan 8.230 nan 0.000 0.426 4264 Y N 1.628 122.000 120.300 0.119 0.000 2.610 4264 Y HA 0.205 4.775 4.550 0.034 0.000 0.332 4264 Y C 1.505 177.516 175.900 0.186 0.000 1.201 4264 Y CA 0.200 58.407 58.100 0.177 0.000 1.465 4264 Y CB 0.025 38.557 38.460 0.121 0.000 1.283 4264 Y HN 0.856 nan 8.280 nan 0.000 0.563 4265 G N 1.694 110.787 108.800 0.488 0.000 2.168 4265 G HA2 -0.371 3.609 3.960 0.034 0.000 0.263 4265 G HA3 -0.371 3.609 3.960 0.034 0.000 0.263 4265 G C 0.772 175.693 174.900 0.036 0.000 0.977 4265 G CA 0.876 46.128 45.100 0.254 0.000 0.659 4265 G HN 0.725 nan 8.290 nan 0.000 0.533 4266 E N -1.730 118.491 120.200 0.036 0.000 2.571 4266 E HA 0.455 4.826 4.350 0.034 0.000 0.204 4266 E C 1.352 177.935 176.600 -0.028 0.000 0.851 4266 E CA 1.185 57.581 56.400 -0.006 0.000 1.358 4266 E CB 0.512 30.228 29.700 0.027 0.000 1.327 4266 E HN 1.750 nan 8.360 nan 0.000 0.665 4267 G N 0.901 109.713 108.800 0.020 0.000 2.428 4267 G HA2 -0.157 3.823 3.960 0.034 0.000 0.202 4267 G HA3 -0.157 3.823 3.960 0.034 0.000 0.202 4267 G C -0.594 174.336 174.900 0.051 0.000 1.247 4267 G CA -0.409 44.705 45.100 0.024 0.000 1.020 4267 G HN 0.174 nan 8.290 nan 0.000 0.529 4268 I N 1.357 121.939 120.570 0.021 0.000 2.683 4268 I HA 0.039 4.229 4.170 0.034 0.000 0.286 4268 I C 0.734 176.865 176.117 0.023 0.000 1.175 4268 I CA -0.134 61.166 61.300 0.000 0.000 1.429 4268 I CB 0.632 38.514 38.000 -0.197 0.000 1.371 4268 I HN 0.467 nan 8.210 nan 0.000 0.569 4269 N N 6.435 125.173 118.700 0.063 0.000 2.895 4269 N HA -0.024 4.737 4.740 0.034 0.000 0.277 4269 N C 0.556 176.090 175.510 0.041 0.000 1.185 4269 N CA 0.113 53.205 53.050 0.071 0.000 1.106 4269 N CB -0.130 38.399 38.487 0.070 0.000 1.422 4269 N HN 0.519 nan 8.380 nan 0.000 0.521 4270 F N 2.831 122.696 119.950 -0.141 0.000 2.102 4270 F HA -0.168 4.380 4.527 0.034 0.000 0.298 4270 F C 0.897 176.558 175.800 -0.232 0.000 1.105 4270 F CA 1.534 59.378 58.000 -0.261 0.000 1.239 4270 F CB -0.102 38.644 39.000 -0.423 0.000 0.991 4270 F HN 0.389 nan 8.300 nan 0.000 0.474 4271 Y N 0.458 120.806 120.300 0.079 0.000 2.352 4271 Y HA 0.030 4.601 4.550 0.034 0.000 0.292 4271 Y C 2.625 178.462 175.900 -0.105 0.000 1.136 4271 Y CA 0.907 58.996 58.100 -0.018 0.000 1.227 4271 Y CB -1.267 37.233 38.460 0.068 0.000 0.991 4271 Y HN 0.143 nan 8.280 nan 0.000 0.545 4272 G N 0.012 108.838 108.800 0.045 0.000 2.433 4272 G HA2 -0.253 3.728 3.960 0.034 0.000 0.216 4272 G HA3 -0.253 3.728 3.960 0.034 0.000 0.216 4272 G C 1.491 176.351 174.900 -0.067 0.000 1.186 4272 G CA 1.063 46.156 45.100 -0.011 0.000 0.779 4272 G HN 0.397 nan 8.290 nan 0.000 0.543 4273 E N -0.269 119.853 120.200 -0.130 0.000 2.070 4273 E HA -0.155 4.216 4.350 0.034 0.000 0.197 4273 E C 2.400 178.877 176.600 -0.204 0.000 1.004 4273 E CA 0.909 57.208 56.400 -0.169 0.000 0.805 4273 E CB -0.233 29.305 29.700 -0.270 0.000 0.744 4273 E HN 0.300 nan 8.360 nan 0.000 0.451 4274 L N 0.682 121.721 121.223 -0.308 0.000 2.042 4274 L HA -0.181 4.180 4.340 0.034 0.000 0.210 4274 L C 2.201 179.025 176.870 -0.077 0.000 1.076 4274 L CA 1.380 56.085 54.840 -0.224 0.000 0.749 4274 L CB -0.393 41.540 42.059 -0.210 0.000 0.893 4274 L HN -0.023 nan 8.230 nan 0.000 0.432 4275 V N -0.228 119.654 119.914 -0.053 0.000 2.220 4275 V HA -0.326 3.815 4.120 0.034 0.000 0.246 4275 V C 2.321 178.421 176.094 0.011 0.000 1.049 4275 V CA 2.067 64.344 62.300 -0.038 0.000 1.003 4275 V CB -0.787 30.954 31.823 -0.137 0.000 0.634 4275 V HN 0.418 nan 8.190 nan 0.000 0.444 4276 D N -0.039 120.361 120.400 0.000 0.000 2.116 4276 D HA -0.162 4.498 4.640 0.034 0.000 0.193 4276 D C 2.047 178.366 176.300 0.031 0.000 0.998 4276 D CA 1.163 55.183 54.000 0.034 0.000 0.836 4276 D CB -0.365 40.445 40.800 0.017 0.000 0.951 4276 D HN 0.159 nan 8.370 nan 0.000 0.449 4277 L N 0.656 121.877 121.223 -0.003 0.000 2.046 4277 L HA -0.038 4.323 4.340 0.034 0.000 0.208 4277 L C 2.540 179.426 176.870 0.026 0.000 1.077 4277 L CA 1.680 56.520 54.840 -0.001 0.000 0.747 4277 L CB -1.647 40.389 42.059 -0.039 0.000 0.896 4277 L HN 0.083 nan 8.230 nan 0.000 0.432 4278 G N -1.016 107.803 108.800 0.032 0.000 2.446 4278 G HA2 -0.205 3.776 3.960 0.034 0.000 0.217 4278 G HA3 -0.205 3.776 3.960 0.034 0.000 0.217 4278 G C 1.760 176.720 174.900 0.100 0.000 1.168 4278 G CA 1.076 46.218 45.100 0.070 0.000 0.771 4278 G HN 0.276 nan 8.290 nan 0.000 0.551 4279 V N 0.816 120.798 119.914 0.114 0.000 2.295 4279 V HA -0.150 3.991 4.120 0.034 0.000 0.246 4279 V C 2.701 178.843 176.094 0.081 0.000 1.049 4279 V CA 2.214 64.588 62.300 0.124 0.000 1.024 4279 V CB -0.391 31.536 31.823 0.173 0.000 0.648 4279 V HN 0.405 nan 8.190 nan 0.000 0.447 4280 K N -0.127 120.313 120.400 0.066 0.000 2.103 4280 K HA -0.202 4.138 4.320 0.034 0.000 0.207 4280 K C 1.751 178.378 176.600 0.045 0.000 1.048 4280 K CA 1.475 57.791 56.287 0.048 0.000 0.930 4280 K CB -0.021 32.502 32.500 0.039 0.000 0.716 4280 K HN 0.367 nan 8.250 nan 0.000 0.444 4281 E N 0.748 120.979 120.200 0.051 0.000 2.476 4281 E HA -0.012 4.359 4.350 0.034 0.000 0.191 4281 E C -0.223 176.412 176.600 0.058 0.000 1.064 4281 E CA 0.144 56.574 56.400 0.050 0.000 0.866 4281 E CB 0.458 30.188 29.700 0.050 0.000 0.952 4281 E HN 0.189 nan 8.360 nan 0.000 0.492 4282 K N -0.154 120.283 120.400 0.062 0.000 3.160 4282 K HA -0.195 4.146 4.320 0.034 0.000 0.280 4282 K C 0.889 177.537 176.600 0.080 0.000 1.154 4282 K CA 0.452 56.776 56.287 0.061 0.000 0.822 4282 K CB -2.128 30.397 32.500 0.041 0.000 1.239 4282 K HN 0.254 nan 8.250 nan 0.000 0.489 4283 L N -0.548 120.745 121.223 0.117 0.000 2.298 4283 L HA 0.233 4.594 4.340 0.034 0.000 0.209 4283 L C 1.152 178.179 176.870 0.261 0.000 1.084 4283 L CA 0.444 55.393 54.840 0.181 0.000 0.816 4283 L CB 0.176 42.359 42.059 0.208 0.000 0.967 4283 L HN 0.105 nan 8.230 nan 0.000 0.460 4284 I N 0.036 120.739 120.570 0.221 0.000 2.378 4284 I HA 0.198 4.388 4.170 0.034 0.000 0.291 4284 I C -0.178 176.036 176.117 0.162 0.000 0.992 4284 I CA -0.544 60.904 61.300 0.247 0.000 1.154 4284 I CB 1.996 40.143 38.000 0.245 0.000 1.315 4284 I HN -0.078 nan 8.210 nan 0.000 0.448 4285 E N 6.103 126.378 120.200 0.124 0.000 2.301 4285 E HA 0.260 4.631 4.350 0.034 0.000 0.275 4285 E C -0.750 175.857 176.600 0.011 0.000 1.030 4285 E CA -0.319 56.112 56.400 0.051 0.000 0.852 4285 E CB 0.997 30.708 29.700 0.019 0.000 1.060 4285 E HN 0.318 nan 8.360 nan 0.000 0.401 4286 K N 2.758 123.120 120.400 -0.064 0.000 2.616 4286 K HA 0.524 4.865 4.320 0.034 0.000 0.241 4286 K C -1.719 174.795 176.600 -0.143 0.000 0.961 4286 K CA -0.632 55.522 56.287 -0.221 0.000 0.942 4286 K CB 1.079 33.380 32.500 -0.332 0.000 1.153 4286 K HN 0.506 nan 8.250 nan 0.000 0.452 4287 A N 3.375 126.141 122.820 -0.090 0.000 2.444 4287 A HA 0.603 4.944 4.320 0.034 0.000 0.332 4287 A C 0.801 178.380 177.584 -0.007 0.000 1.430 4287 A CA 0.386 52.405 52.037 -0.030 0.000 0.975 4287 A CB 0.110 19.111 19.000 0.002 0.000 1.147 4287 A HN 1.021 nan 8.150 nan 0.000 0.524 4288 G N 1.963 110.735 108.800 -0.046 0.000 2.687 4288 G HA2 -0.070 3.911 3.960 0.034 0.000 0.303 4288 G HA3 -0.070 3.911 3.960 0.034 0.000 0.303 4288 G C 1.292 176.125 174.900 -0.111 0.000 1.209 4288 G CA 0.890 45.964 45.100 -0.043 0.000 0.968 4288 G HN 1.987 nan 8.290 nan 0.000 0.549 4289 A N -0.865 121.893 122.820 -0.103 0.000 2.303 4289 A HA 0.516 4.857 4.320 0.034 0.000 0.217 4289 A C 0.607 178.030 177.584 -0.269 0.000 1.205 4289 A CA 0.449 52.371 52.037 -0.193 0.000 0.875 4289 A CB 0.051 18.934 19.000 -0.195 0.000 0.910 4289 A HN 0.565 nan 8.150 nan 0.000 0.501 4290 W N -0.113 121.093 121.300 -0.156 0.000 2.335 4290 W HA 0.503 5.183 4.660 0.034 0.000 0.306 4290 W C -0.736 175.656 176.519 -0.212 0.000 1.216 4290 W CA -0.081 57.202 57.345 -0.103 0.000 1.237 4290 W CB 0.362 29.781 29.460 -0.069 0.000 1.243 4290 W HN 0.234 nan 8.180 nan 0.000 0.493 4291 Y N 2.595 123.034 120.300 0.233 0.000 2.330 4291 Y HA 0.444 5.015 4.550 0.034 0.000 0.336 4291 Y C 0.496 176.453 175.900 0.094 0.000 1.036 4291 Y CA -0.337 57.834 58.100 0.118 0.000 1.125 4291 Y CB 1.374 39.861 38.460 0.044 0.000 1.194 4291 Y HN 0.139 nan 8.280 nan 0.000 0.469 4292 S N 2.483 118.286 115.700 0.171 0.000 2.526 4292 S HA 0.422 4.912 4.470 0.034 0.000 0.293 4292 S C -1.946 172.718 174.600 0.107 0.000 1.092 4292 S CA -0.800 57.438 58.200 0.063 0.000 0.980 4292 S CB 1.349 64.553 63.200 0.007 0.000 1.048 4292 S HN 0.494 nan 8.310 nan 0.000 0.483 4293 Y N 2.639 122.868 120.300 -0.119 0.000 2.350 4293 Y HA 0.376 4.947 4.550 0.034 0.000 0.338 4293 Y C 0.150 176.026 175.900 -0.041 0.000 0.961 4293 Y CA -1.063 56.999 58.100 -0.063 0.000 1.100 4293 Y CB 0.689 39.108 38.460 -0.068 0.000 1.179 4293 Y HN 0.798 nan 8.280 nan 0.000 0.454 4294 K N 4.859 124.923 120.400 -0.559 0.000 3.177 4294 K HA -0.274 4.067 4.320 0.034 0.000 0.266 4294 K C 0.960 177.438 176.600 -0.203 0.000 0.937 4294 K CA 1.018 57.042 56.287 -0.439 0.000 0.702 4294 K CB -1.672 30.479 32.500 -0.581 0.000 1.365 4294 K HN 1.295 nan 8.250 nan 0.000 0.466 4295 G N -0.124 108.591 108.800 -0.142 0.000 2.320 4295 G HA2 -0.349 3.632 3.960 0.034 0.000 0.242 4295 G HA3 -0.349 3.632 3.960 0.034 0.000 0.242 4295 G C -0.105 174.738 174.900 -0.096 0.000 1.033 4295 G CA 0.432 45.471 45.100 -0.102 0.000 0.620 4295 G HN 0.461 nan 8.290 nan 0.000 0.517 4296 E N 1.547 121.692 120.200 -0.091 0.000 2.200 4296 E HA 0.377 4.748 4.350 0.034 0.000 0.283 4296 E C 0.075 176.593 176.600 -0.138 0.000 1.015 4296 E CA -0.507 55.837 56.400 -0.093 0.000 0.819 4296 E CB 0.424 30.099 29.700 -0.042 0.000 1.081 4296 E HN 0.369 nan 8.360 nan 0.000 0.397 4297 K N 4.162 124.471 120.400 -0.152 0.000 2.412 4297 K HA 0.076 4.416 4.320 0.034 0.000 0.281 4297 K C 1.160 177.644 176.600 -0.194 0.000 1.027 4297 K CA 0.186 56.396 56.287 -0.128 0.000 0.989 4297 K CB 0.528 32.887 32.500 -0.234 0.000 0.935 4297 K HN 0.535 nan 8.250 nan 0.000 0.475 4298 I N -1.503 118.931 120.570 -0.227 0.000 4.187 4298 I HA 0.330 4.520 4.170 0.034 0.000 0.326 4298 I C 0.562 176.566 176.117 -0.189 0.000 1.302 4298 I CA -0.319 60.586 61.300 -0.659 0.000 1.196 4298 I CB 1.032 38.332 38.000 -1.167 0.000 1.095 4298 I HN 0.566 nan 8.210 nan 0.000 0.411 4299 G N 1.352 110.238 108.800 0.143 0.000 2.384 4299 G HA2 0.186 4.167 3.960 0.034 0.000 0.300 4299 G HA3 0.186 4.167 3.960 0.034 0.000 0.300 4299 G C -2.090 172.792 174.900 -0.031 0.000 1.582 4299 G CA -0.692 44.476 45.100 0.114 0.000 0.875 4299 G HN 0.208 nan 8.290 nan 0.000 0.628 4300 Q N 0.390 119.884 119.800 -0.510 0.000 2.303 4300 Q HA 0.553 4.914 4.340 0.034 0.000 0.257 4300 Q C 0.459 176.288 176.000 -0.285 0.000 0.941 4300 Q CA 0.555 55.875 55.803 -0.806 0.000 0.931 4300 Q CB 1.099 29.010 28.738 -1.378 0.000 1.215 4300 Q HN 2.393 nan 8.270 nan 0.000 0.437 4301 G N 3.015 111.786 108.800 -0.049 0.000 2.722 4301 G HA2 -0.256 3.725 3.960 0.034 0.000 0.686 4301 G HA3 -0.256 3.725 3.960 0.034 0.000 0.686 4301 G C 0.019 174.941 174.900 0.036 0.000 1.282 4301 G CA -0.023 45.114 45.100 0.062 0.000 0.817 4301 G HN 0.798 nan 8.290 nan 0.000 0.605 4302 K N 1.016 121.427 120.400 0.019 0.000 2.074 4302 K HA -0.057 4.284 4.320 0.034 0.000 0.209 4302 K C 2.986 179.470 176.600 -0.194 0.000 1.048 4302 K CA 2.559 58.703 56.287 -0.238 0.000 0.926 4302 K CB -0.355 32.097 32.500 -0.079 0.000 0.713 4302 K HN 1.191 nan 8.250 nan 0.000 0.444 4303 A N 1.270 124.035 122.820 -0.093 0.000 1.892 4303 A HA -0.262 4.079 4.320 0.034 0.000 0.218 4303 A C 1.795 179.341 177.584 -0.063 0.000 1.188 4303 A CA 2.173 54.172 52.037 -0.063 0.000 0.631 4303 A CB -0.876 18.099 19.000 -0.041 0.000 0.822 4303 A HN 0.563 nan 8.150 nan 0.000 0.447 4304 N N -0.512 118.146 118.700 -0.071 0.000 2.216 4304 N HA 0.020 4.780 4.740 0.034 0.000 0.183 4304 N C 2.005 177.510 175.510 -0.009 0.000 1.017 4304 N CA 0.769 53.799 53.050 -0.033 0.000 0.861 4304 N CB -0.202 38.258 38.487 -0.045 0.000 0.986 4304 N HN 0.501 nan 8.380 nan 0.000 0.428 4305 A N 0.852 123.604 122.820 -0.113 0.000 1.902 4305 A HA -0.145 4.196 4.320 0.034 0.000 0.217 4305 A C 2.277 179.846 177.584 -0.025 0.000 1.181 4305 A CA 1.722 53.684 52.037 -0.125 0.000 0.623 4305 A CB -1.010 17.679 19.000 -0.519 0.000 0.818 4305 A HN 0.207 nan 8.150 nan 0.000 0.443 4306 T N 0.520 115.024 114.554 -0.083 0.000 2.684 4306 T HA -0.085 4.286 4.350 0.034 0.000 0.267 4306 T C 2.232 176.912 174.700 -0.033 0.000 1.036 4306 T CA 1.799 63.885 62.100 -0.023 0.000 1.148 4306 T CB -0.573 68.286 68.868 -0.015 0.000 0.863 4306 T HN 0.624 nan 8.240 nan 0.000 0.436 4307 A N 0.304 123.115 122.820 -0.016 0.000 1.940 4307 A HA -0.139 4.202 4.320 0.034 0.000 0.219 4307 A C 2.058 179.626 177.584 -0.027 0.000 1.176 4307 A CA 1.664 53.683 52.037 -0.030 0.000 0.631 4307 A CB -1.167 17.835 19.000 0.004 0.000 0.814 4307 A HN 0.715 nan 8.150 nan 0.000 0.446 4308 W N 0.440 121.669 121.300 -0.119 0.000 2.381 4308 W HA -0.112 4.569 4.660 0.034 0.000 0.301 4308 W C 1.820 178.244 176.519 -0.158 0.000 1.205 4308 W CA 1.818 59.104 57.345 -0.099 0.000 1.285 4308 W CB -0.249 29.186 29.460 -0.042 0.000 1.133 4308 W HN 0.254 nan 8.180 nan 0.000 0.521 4309 L N 0.535 121.748 121.223 -0.017 0.000 2.046 4309 L HA -0.224 4.137 4.340 0.034 0.000 0.208 4309 L C 2.568 179.025 176.870 -0.689 0.000 1.077 4309 L CA 1.607 56.289 54.840 -0.264 0.000 0.747 4309 L CB -0.933 41.107 42.059 -0.031 0.000 0.896 4309 L HN -0.093 nan 8.230 nan 0.000 0.432 4310 K N -0.082 119.800 120.400 -0.863 0.000 2.113 4310 K HA -0.251 4.089 4.320 0.034 0.000 0.208 4310 K C 1.589 177.879 176.600 -0.517 0.000 1.047 4310 K CA 1.913 57.638 56.287 -0.936 0.000 0.928 4310 K CB -0.015 32.172 32.500 -0.522 0.000 0.716 4310 K HN 0.188 nan 8.250 nan 0.000 0.446 4311 D N -0.259 119.870 120.400 -0.452 0.000 2.249 4311 D HA -0.028 4.633 4.640 0.034 0.000 0.205 4311 D C -0.423 175.601 176.300 -0.460 0.000 0.962 4311 D CA 0.671 54.440 54.000 -0.385 0.000 0.860 4311 D CB 0.201 40.796 40.800 -0.342 0.000 0.955 4311 D HN 0.100 nan 8.370 nan 0.000 0.505 4312 N N 0.002 118.316 118.700 -0.644 0.000 2.976 4312 N HA 0.212 4.972 4.740 0.034 0.000 0.255 4312 N C -2.165 173.117 175.510 -0.380 0.000 1.312 4312 N CA -1.132 51.555 53.050 -0.604 0.000 0.897 4312 N CB 1.782 39.625 38.487 -1.074 0.000 1.184 4312 N HN 0.009 nan 8.380 nan 0.000 0.497 4313 P HA -0.116 nan 4.420 nan 0.000 0.221 4313 P C 0.892 178.162 177.300 -0.050 0.000 1.150 4313 P CA 1.053 64.093 63.100 -0.101 0.000 0.800 4313 P CB 0.464 32.125 31.700 -0.065 0.000 0.787 4314 E N -0.522 119.634 120.200 -0.074 0.000 2.072 4314 E HA -0.101 4.270 4.350 0.034 0.000 0.191 4314 E C 1.823 178.416 176.600 -0.011 0.000 0.985 4314 E CA 1.470 57.851 56.400 -0.031 0.000 0.801 4314 E CB -1.755 27.928 29.700 -0.028 0.000 0.750 4314 E HN 0.249 nan 8.360 nan 0.000 0.452 4315 T N 1.740 116.267 114.554 -0.045 0.000 2.821 4315 T HA -0.024 4.347 4.350 0.034 0.000 0.267 4315 T C 2.052 176.728 174.700 -0.040 0.000 1.046 4315 T CA 1.397 63.488 62.100 -0.016 0.000 1.139 4315 T CB -0.251 68.615 68.868 -0.004 0.000 0.871 4315 T HN 0.314 nan 8.240 nan 0.000 0.454 4316 A N 2.187 124.990 122.820 -0.027 0.000 1.883 4316 A HA -0.154 4.186 4.320 0.034 0.000 0.217 4316 A C 2.303 179.951 177.584 0.107 0.000 1.186 4316 A CA 1.318 53.405 52.037 0.082 0.000 0.624 4316 A CB -0.351 18.788 19.000 0.232 0.000 0.822 4316 A HN 0.202 nan 8.150 nan 0.000 0.444 4317 K N -0.151 120.299 120.400 0.084 0.000 2.063 4317 K HA -0.191 4.150 4.320 0.034 0.000 0.208 4317 K C 1.921 178.559 176.600 0.063 0.000 1.048 4317 K CA 1.677 58.007 56.287 0.072 0.000 0.928 4317 K CB -0.572 31.954 32.500 0.042 0.000 0.713 4317 K HN 0.799 nan 8.250 nan 0.000 0.442 4318 E N 0.635 120.869 120.200 0.056 0.000 2.058 4318 E HA -0.159 4.211 4.350 0.034 0.000 0.194 4318 E C 2.110 178.755 176.600 0.076 0.000 0.997 4318 E CA 1.078 57.522 56.400 0.073 0.000 0.801 4318 E CB -0.054 29.708 29.700 0.104 0.000 0.746 4318 E HN 0.234 nan 8.360 nan 0.000 0.450 4319 I N 0.959 121.551 120.570 0.037 0.000 2.226 4319 I HA -0.242 3.948 4.170 0.034 0.000 0.245 4319 I C 2.728 178.874 176.117 0.048 0.000 1.100 4319 I CA 1.278 62.596 61.300 0.029 0.000 1.374 4319 I CB -0.392 37.568 38.000 -0.067 0.000 1.057 4319 I HN 0.261 nan 8.210 nan 0.000 0.413 4320 E N 1.578 121.814 120.200 0.059 0.000 2.077 4320 E HA -0.305 4.066 4.350 0.034 0.000 0.193 4320 E C 2.226 178.863 176.600 0.061 0.000 0.989 4320 E CA 1.454 57.895 56.400 0.067 0.000 0.800 4320 E CB 0.017 29.799 29.700 0.136 0.000 0.746 4320 E HN 0.333 nan 8.360 nan 0.000 0.452 4321 K N 0.684 121.121 120.400 0.062 0.000 2.063 4321 K HA -0.201 4.140 4.320 0.034 0.000 0.208 4321 K C 2.100 178.730 176.600 0.051 0.000 1.048 4321 K CA 1.682 58.000 56.287 0.052 0.000 0.928 4321 K CB 0.067 32.598 32.500 0.050 0.000 0.713 4321 K HN -0.045 nan 8.250 nan 0.000 0.442 4322 K N -0.039 120.397 120.400 0.060 0.000 2.057 4322 K HA -0.070 4.270 4.320 0.034 0.000 0.206 4322 K C 1.953 178.584 176.600 0.051 0.000 1.050 4322 K CA 1.205 57.529 56.287 0.062 0.000 0.935 4322 K CB 0.042 32.593 32.500 0.084 0.000 0.715 4322 K HN -0.037 nan 8.250 nan 0.000 0.439 4323 V N 1.347 121.289 119.914 0.046 0.000 2.343 4323 V HA -0.268 3.872 4.120 0.034 0.000 0.247 4323 V C 2.182 178.292 176.094 0.027 0.000 1.051 4323 V CA 1.729 64.048 62.300 0.031 0.000 1.036 4323 V CB -0.438 31.392 31.823 0.012 0.000 0.654 4323 V HN 0.272 nan 8.190 nan 0.000 0.451 4324 R N -0.277 120.241 120.500 0.030 0.000 2.066 4324 R HA -0.146 4.215 4.340 0.034 0.000 0.232 4324 R C 2.355 178.671 176.300 0.028 0.000 1.131 4324 R CA 1.615 57.732 56.100 0.028 0.000 0.955 4324 R CB -0.301 30.018 30.300 0.031 0.000 0.851 4324 R HN 0.598 nan 8.270 nan 0.000 0.432 4325 E N 0.594 120.812 120.200 0.031 0.000 2.085 4325 E HA -0.204 4.167 4.350 0.034 0.000 0.194 4325 E C 1.980 178.598 176.600 0.030 0.000 0.994 4325 E CA 1.117 57.536 56.400 0.030 0.000 0.801 4325 E CB -0.070 29.650 29.700 0.033 0.000 0.743 4325 E HN 0.287 nan 8.360 nan 0.000 0.453 4326 L N -0.003 121.240 121.223 0.032 0.000 2.156 4326 L HA -0.108 4.253 4.340 0.034 0.000 0.208 4326 L C 2.022 178.909 176.870 0.029 0.000 1.095 4326 L CA 0.778 55.637 54.840 0.032 0.000 0.770 4326 L CB 0.072 42.152 42.059 0.035 0.000 0.914 4326 L HN 0.149 nan 8.230 nan 0.000 0.439 4327 L N -1.640 119.599 121.223 0.027 0.000 2.701 4327 L HA 0.192 4.553 4.340 0.034 0.000 0.238 4327 L C 0.794 177.678 176.870 0.024 0.000 1.106 4327 L CA -0.288 54.567 54.840 0.025 0.000 0.898 4327 L CB 0.416 42.488 42.059 0.022 0.000 1.188 4327 L HN 0.076 nan 8.230 nan 0.000 0.508 4328 L N 0.000 121.237 121.223 0.023 0.000 2.949 4328 L HA 0.000 4.361 4.340 0.034 0.000 0.249 4328 L CA 0.000 54.853 54.840 0.021 0.000 0.813 4328 L CB 0.000 42.070 42.059 0.018 0.000 0.961 4328 L HN 0.000 nan 8.230 nan 0.000 0.502